source /autofs/nccs-svm1_home1/saromleang/gamess-tsatta-w2-efp-offload/install.info
setenv GMS_VERSION 00
setenv GMS_PATH /autofs/nccs-svm1_home1/saromleang/gamess-tsatta-w2-efp-offload
setenv GMS_BUILD_DIR /autofs/nccs-svm1_home1/saromleang/gamess-tsatta-w2-efp-offload
setenv GMS_TARGET hpe-cray-ex
setenv GMS_HPC_SYSTEM_TARGET frontier
setenv GMS_FORTRAN ftn
setenv GMS_MATHLIB LibSci
setenv GMS_MATHLIB_PATH /opt/cray/pe/libsci/22.12.1.1/CRAY/9.0/x86_64
setenv GMS_MATHLIB_INCLUDE_PATH
setenv GMS_MKL_VERNO
setenv GMS_THREADED_BLAS false
setenv GMS_LAPACK_LINK_LINE
setenv GMS_DDI_COMM mpi
setenv GMS_MPI_LIB craycs
setenv GMS_LIBCCHEM false
setenv GMS_LIBCCHEM_GPU_SUPPORT
setenv GMS_LIBCCHEM_LIBS -ldl -lrt
setenv GMS_HDF5_PATH
setenv GMS_CUDA_BOARD
setenv GMS_CUDA_PATH
setenv GMS_EIGEN_PATH
setenv GMS_BOOST_PATH
setenv GMS_GA_PATH
setenv GMS_PHI none
setenv GMS_SHMTYPE sysv
setenv GMS_OPENMP true
setenv GMS_OPENMP_OFFLOAD true
setenv GMS_USE_HIPFORT true
setenv HIPFORT_HOME /lustre/orion/world-shared/chm135/hipfort/frontier/cpe-22.12/hipfort/cce_15.0.0-rocm_5.3.0
setenv USE_CUBLAS false
setenv USE_HIPBLAS true
setenv GMS_LIBXC false
setenv GMS_MDI false
setenv GMS_MSUAUTO false
setenv GMS_VM2 false
setenv TINKER false
setenv VB2000 false
setenv XMVB false
setenv NEO false
setenv NBO false
setenv GMS_FPE_FLAGS
if ( ! 1 ) setenv OMP_NUM_THREADS 6
if ( ! 0 ) setenv OMP_STACKSIZE 1G
setenv OMP_STACKSIZE 1G
setenv GMS_C_DEBUG_FLAGS
unset echo
SLURM has assigned the following compute nodes to this run:
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mkdir -p /lustre/orion/scratch/saromleang/chm135/359127
Input file supplied : msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.inp
----- GAMESS execution script 'rungms-dev' -----
This job is running on host crusher003
under operating system Linux at Thu 03 Aug 2023 11:42:51 PM EDT with hpe-cray-ex communication mode
Available scratch disk space (Kbyte units) at beginning of the job is
Filesystem 1K-blocks Used Available Use% Mounted on
10761@kfi,10824@kfi:10825@kfi,10760@kfi:/orion 663070047567872 86359404249088 576710100001408 14% /lustre/orion
GAMESS temporary binary files will be written to /lustre/orion/scratch/saromleang/chm135/359127
GAMESS supplementary output files will be written to /lustre/orion/scratch/saromleang/chm135/359127/restart
limit stacksize 786432
unset echo
Copying input file msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.inp to your run's scratch directory...
cp msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.inp /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F05
setenv NO_STOP_MESSAGE 1
setenv AUXDATA /autofs/nccs-svm1_home1/saromleang/gamess-tsatta-w2-efp-offload/auxdata
setenv EXTBAS /dev/null
setenv NUCBAS /autofs/nccs-svm1_home1/saromleang/gamess-tsatta-w2-efp-offload/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.nucbas
setenv EXTCAB /autofs/nccs-svm1_home1/saromleang/gamess-tsatta-w2-efp-offload/auxdata/AUXBAS/auxdef21
setenv POSBAS /autofs/nccs-svm1_home1/saromleang/gamess-tsatta-w2-efp-offload/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.posbas
setenv DFTBPAR /autofs/nccs-svm1_home1/saromleang/gamess-tsatta-w2-efp-offload/auxdata/DFTB
setenv ERICFMT /autofs/nccs-svm1_home1/saromleang/gamess-tsatta-w2-efp-offload/auxdata/ericfmt.dat
setenv MCPPATH /autofs/nccs-svm1_home1/saromleang/gamess-tsatta-w2-efp-offload/auxdata/MCP
setenv BASPATH /autofs/nccs-svm1_home1/saromleang/gamess-tsatta-w2-efp-offload/auxdata/BASES
setenv QUANPOL /autofs/nccs-svm1_home1/saromleang/gamess-tsatta-w2-efp-offload/auxdata/QUANPOL
setenv MAKEFP /lustre/orion/scratch/saromleang/chm135/359127/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.efp
setenv GAMMA /lustre/orion/scratch/saromleang/chm135/359127/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.gamma
setenv TRAJECT /lustre/orion/scratch/saromleang/chm135/359127/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.trj
setenv RESTART /lustre/orion/scratch/saromleang/chm135/359127/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.rst
setenv QMWAVE /lustre/orion/scratch/saromleang/chm135/359127/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.qmw
setenv MDDIP /lustre/orion/scratch/saromleang/chm135/359127/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.dip
setenv OPTHES1 /lustre/orion/scratch/saromleang/chm135/359127/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.hs1
setenv OPTHES2 /lustre/orion/scratch/saromleang/chm135/359127/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.hs2
setenv FCIDUMP /lustre/orion/scratch/saromleang/chm135/359127/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.FCIDUMP
setenv XYZ /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.xyz
setenv IRCDATA /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F04
setenv INPUT /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F05
setenv PUNCH /lustre/orion/scratch/saromleang/chm135/359127/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.dat
setenv NAMDRST /lustre/orion/scratch/saromleang/chm135/359127/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.namdrst
setenv AOINTS /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F08
setenv MOINTS /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F09
setenv DICTNRY /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F10
setenv DRTFILE /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F11
setenv CIVECTR /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F12
setenv CASINTS /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F13
setenv CIINTS /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F14
setenv WORK15 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F15
setenv WORK16 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F16
setenv CSFSAVE /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F17
setenv FOCKDER /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F18
setenv WORK19 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F19
setenv DASORT /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F20
setenv DIABDAT /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F21
setenv DFTINTS /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F21
setenv DFTGRID /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F22
setenv JKFILE /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F23
setenv ORDINT /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F24
setenv EFPIND /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F25
setenv PCMDATA /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F26
setenv PCMINTS /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F27
setenv SVPWRK1 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F26
setenv SVPWRK2 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F27
setenv COSCAV /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F26
setenv COSDATA /lustre/orion/scratch/saromleang/chm135/359127/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.cosmo
setenv COSPOT /lustre/orion/scratch/saromleang/chm135/359127/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.pot
setenv MLTPL /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F28
setenv MLTPLT /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F29
setenv DAFL30 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F30
setenv SOINTX /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F31
setenv SOINTY /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F32
setenv SOINTZ /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F33
setenv SORESC /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F34
setenv QOPWRF /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.wrf
setenv GCILIST /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F37
setenv HESSIAN /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F38
setenv QMMMTEI /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F39
setenv SOCCDAT /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F40
setenv AABB41 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F41
setenv BBAA42 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F42
setenv BBBB43 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F43
setenv REMD /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F44
setenv UNV /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F45
setenv UNPV /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F46
setenv MCQD50 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F50
setenv MCQD51 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F51
setenv MCQD52 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F52
setenv MCQD53 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F53
setenv MCQD54 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F54
setenv MCQD55 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F55
setenv MCQD56 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F56
setenv MCQD57 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F57
setenv MCQD58 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F58
setenv MCQD59 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F59
setenv MCQD60 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F60
setenv MCQD61 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F61
setenv MCQD62 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F62
setenv MCQD63 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F63
setenv MCQD64 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F64
setenv NMRINT1 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F61
setenv NMRINT2 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F62
setenv NMRINT3 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F63
setenv NMRINT4 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F64
setenv NMRINT5 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F65
setenv NMRINT6 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F66
setenv DCPHFH2 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F67
setenv DCPHF21 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F68
setenv ELNUINT /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F67
setenv NUNUINT /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F68
setenv GVVPT /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F69
setenv NUMOIN /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F69
setenv NUMOCAS /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F70
setenv NUELMO /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F71
setenv NUELCAS /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F72
setenv EPOVRLP /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F73
setenv RIVMAT /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F51
setenv RIT2A /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F52
setenv RIT3A /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F53
setenv RIT2B /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F54
setenv RIT3B /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F55
setenv KI /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F47
setenv BI /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F48
setenv PRMERI /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F49
setenv TRSERI /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F50
setenv PVP /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F51
setenv TPVPI /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F52
setenv TPVPJ /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F53
setenv PPVPP /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F54
setenv TPPVPP /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F55
setenv DEN2P1 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F70
setenv DEN2P2 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F71
setenv DEN2P3 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F72
setenv DEN2P4 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F73
setenv DEN2NM /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F74
setenv DEN2OPT /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F75
setenv GMCREF /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F70
setenv GMCO2R /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F71
setenv GMCROC /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F72
setenv GMCOOC /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F73
setenv GMCCC0 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F74
setenv GMCHMA /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F75
setenv GMCEI1 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F76
setenv GMCEI2 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F77
setenv GMCEOB /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F78
setenv GMCEDT /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F79
setenv GMCERF /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F80
setenv GMCHCR /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F81
setenv GMCGJK /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F82
setenv GMCGAI /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F83
setenv GMCGEO /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F84
setenv GMCTE1 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F85
setenv GMCTE2 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F86
setenv GMCHEF /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F87
setenv GMCMOL /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F88
setenv GMCMOS /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F89
setenv GMCWGT /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F90
setenv GMCRM2 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F91
setenv GMCRM1 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F92
setenv GMCR00 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F93
setenv GMCRP1 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F94
setenv GMCRP2 /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F95
setenv GMCVEF /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F96
setenv GMCDIN /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F97
setenv GMC2SZ /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F98
setenv GMCCCS /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F99
unset echo
This is a GDDI run, keeping various output files on local disks
setenv OUTPUT /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F06
setenv PUNCH /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F07
unset echo
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/359127/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.casino': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/359127/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.dmn': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/359127/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.cim': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/359127/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.cosmo': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/359127/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.pot': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/359127/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.gamma': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/359127/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.efp': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/359127/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.dip': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/359127/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.hs1': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/359127/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.hs2': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F07': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/359127/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.qmw': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/359127/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.rst': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/359127/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.trj': No such file or directory
GDDI has to copy your input to every node ...
Creating /lustre/orion/scratch/saromleang/chm135/359127 on every node
Copying /lustre/orion/scratch/saromleang/chm135/359127/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu.F05 to every node
Note: the module "perftools-base" cannot be unloaded because it was not loaded.
Note: the module "darshan-runtime" cannot be unloaded because it was not
loaded.
Note: the module "craype-accel-amd-gfx90a" cannot be unloaded because it was
not loaded.
Currently Loaded Modules:
1) craype-x86-trento 10) craype/2.7.19
2) libfabric/1.15.2.0 11) cpe/22.12
3) craype-network-ofi 12) cce/15.0.0
4) xpmem/2.6.2-2.5_2.22__gd067c3f.shasta 13) hsi/default (H)
5) nano/6.3 14) DefApps/default
6) PrgEnv-cray/8.3.3 15) cray-mpich/8.1.23
7) cray-dsmml/0.2.2 16) rocm/5.3.0
8) cray-libsci/22.12.1.1 17) hipfort/5.3
9) cray-pmi/6.1.8
Where:
H: Hidden Module
srun --propagate=STACK --exclusive --export=ALL --cpu-bind verbose,cores -N 128 -n 2048 --ntasks-per-node=16 -c 6 --gpus=1024 --gpu-bind=closest /autofs/nccs-svm1_home1/saromleang/gamess-tsatta-w2-efp-offload/gamess.00.x msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-gpu
cpu-bind=MASK - crusher078, task 816 0 [42874]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher078, task 817 1 [42875]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher078, task 818 2 [42876]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher072, task 752 0 [126418]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher072, task 753 1 [126419]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher059, task 608 0 [113604]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher059, task 609 1 [113605]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher056, task 560 0 [86540]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher032, task 320 0 [104948]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher032, task 321 1 [104949]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher077, task 800 0 [70716]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher062, task 656 0 [50427]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher087, task 944 0 [126590]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher087, task 945 1 [126591]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher078, task 819 3 [42877]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher072, task 754 2 [126420]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher072, task 755 3 [126421]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher059, task 610 2 [113606]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher059, task 611 3 [113607]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher056, task 561 1 [86541]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher032, task 322 2 [104950]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher032, task 323 3 [104951]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher077, task 801 1 [70717]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher062, task 657 1 [50428]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher087, task 946 2 [126592]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher087, task 947 3 [126593]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher005, task 32 0 [5302]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher130, task 1136 0 [104441]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher166, task 1664 0 [40027]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher069, task 704 0 [48488]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher069, task 705 1 [48489]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher190, task 2000 0 [116046]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher184, task 1904 0 [27312]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher177, task 1808 0 [63774]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher039, task 368 0 [52665]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher003, task 0 0 [85139]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher003, task 1 1 [85140]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher054, task 528 0 [124176]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher016, task 144 0 [115878]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher063, task 672 0 [101180]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher088, task 960 0 [112453]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher060, task 624 0 [50627]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher050, task 480 0 [10226]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher084, task 912 0 [5265]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher084, task 913 1 [5266]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher057, task 576 0 [21420]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher057, task 577 1 [21421]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher141, task 1296 0 [21443]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher141, task 1297 1 [21444]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher006, task 48 0 [60716]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher131, task 1152 0 [27949]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher188, task 1968 0 [18224]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher188, task 1969 1 [18225]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher170, task 1728 0 [20531]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher178, task 1824 0 [23999]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher008, task 64 0 [42140]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher096, task 1024 0 [55836]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher064, task 688 0 [60039]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher139, task 1264 0 [123091]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher152, task 1456 0 [22974]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher071, task 736 0 [27971]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher058, task 592 0 [124160]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher013, task 112 0 [121323]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher168, task 1696 0 [45728]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher168, task 1697 1 [45729]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher004, task 16 0 [102582]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher082, task 880 0 [2364]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher176, task 1792 0 [107801]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher022, task 208 0 [57009]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher192, task 2032 0 [11549]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher052, task 496 0 [98878]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher136, task 1232 0 [48670]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher163, task 1616 0 [33458]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher018, task 176 0 [76244]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher018, task 177 1 [76245]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher180, task 1856 0 [17273]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher133, task 1184 0 [129785]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher140, task 1280 0 [65468]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher083, task 896 0 [25301]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher090, task 992 0 [94650]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher049, task 464 0 [41617]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher109, task 1088 0 [19902]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher153, task 1472 0 [55580]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher169, task 1712 0 [25956]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher025, task 224 0 [109290]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher011, task 80 0 [22287]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher011, task 81 1 [22288]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher157, task 1520 0 [94919]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher078, task 820 4 [42878]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher072, task 756 4 [126422]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher059, task 612 4 [113608]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher056, task 562 2 [86542]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher032, task 324 4 [104952]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher077, task 802 2 [70718]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher062, task 658 2 [50429]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher087, task 948 4 [126594]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher005, task 33 1 [5303]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher130, task 1137 1 [104442]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher166, task 1665 1 [40028]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher069, task 706 2 [48490]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher190, task 2001 1 [116047]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher184, task 1905 1 [27313]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher184, task 1906 2 [27314]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher177, task 1809 1 [63775]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher039, task 369 1 [52666]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher003, task 2 2 [85141]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher003, task 3 3 [85142]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher054, task 529 1 [124177]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher016, task 145 1 [115879]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher063, task 673 1 [101181]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher088, task 961 1 [112454]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher060, task 625 1 [50628]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher050, task 481 1 [10227]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher084, task 914 2 [5267]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher057, task 578 2 [21422]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher057, task 579 3 [21423]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher141, task 1298 2 [21445]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher141, task 1299 3 [21446]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher006, task 49 1 [60717]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher131, task 1153 1 [27950]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher131, task 1154 2 [27951]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher188, task 1970 2 [18226]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher188, task 1971 3 [18227]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher170, task 1729 1 [20532]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher178, task 1825 1 [24000]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher008, task 65 1 [42141]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher096, task 1025 1 [55837]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher064, task 689 1 [60040]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher139, task 1265 1 [123092]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher152, task 1457 1 [22975]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher071, task 737 1 [27972]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher058, task 593 1 [124161]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher013, task 113 1 [121324]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher168, task 1698 2 [45730]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher004, task 17 1 [102583]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher082, task 881 1 [2365]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher176, task 1793 1 [107802]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher022, task 209 1 [57010]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher192, task 2033 1 [11550]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher052, task 497 1 [98879]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher136, task 1233 1 [48671]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher163, task 1617 1 [33459]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher018, task 178 2 [76246]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher018, task 179 3 [76247]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher180, task 1857 1 [17274]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher133, task 1185 1 [129786]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher140, task 1281 1 [65469]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher083, task 897 1 [25302]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher090, task 993 1 [94651]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher049, task 465 1 [41618]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher109, task 1089 1 [19903]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher153, task 1473 1 [55581]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher169, task 1713 1 [25957]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher025, task 225 1 [109291]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher011, task 82 2 [22289]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher011, task 83 3 [22290]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher157, task 1521 1 [94920]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher185, task 1920 0 [98809]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher106, task 1056 0 [69231]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher148, task 1392 0 [117031]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher148, task 1393 1 [117032]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher167, task 1680 0 [40721]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher151, task 1440 0 [129542]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher151, task 1441 1 [129543]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher092, task 1008 0 [23553]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher164, task 1632 0 [38561]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher175, task 1776 0 [122093]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher161, task 1584 0 [117382]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher037, task 336 0 [118381]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher043, task 432 0 [120745]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher191, task 2016 0 [2079]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher138, task 1248 0 [10890]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher021, task 192 0 [56055]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher155, task 1488 0 [77581]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher135, task 1216 0 [123042]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher135, task 1217 1 [123043]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher179, task 1840 0 [83022]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher149, task 1408 0 [103326]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher149, task 1409 1 [103327]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher165, task 1648 0 [44719]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher165, task 1649 1 [44720]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher132, task 1168 0 [62539]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher171, task 1744 0 [66221]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher159, task 1552 0 [103897]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher031, task 304 0 [90960]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher182, task 1888 0 [77734]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher189, task 1984 0 [89595]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher189, task 1985 1 [89596]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher048, task 448 0 [26687]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher162, task 1600 0 [17710]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher079, task 832 0 [30746]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher129, task 1120 0 [42558]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher089, task 976 0 [121512]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher089, task 977 1 [121513]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher080, task 848 0 [87829]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher150, task 1424 0 [129034]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher150, task 1425 1 [129035]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher098, task 1040 0 [3441]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher098, task 1041 1 [3444]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher147, task 1376 0 [62397]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher147, task 1377 1 [62398]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher144, task 1328 0 [41004]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher172, task 1760 0 [86473]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher187, task 1952 0 [21427]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher015, task 128 0 [87338]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher160, task 1568 0 [5393]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher053, task 512 0 [80756]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher042, task 416 0 [8293]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher029, task 272 0 [114246]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher078, task 821 5 [42879]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher072, task 757 5 [126423]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher059, task 613 5 [113609]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher056, task 563 3 [86543]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher032, task 325 5 [104953]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher077, task 803 3 [70719]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher062, task 659 3 [50430]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher087, task 949 5 [126595]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher005, task 34 2 [5304]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher130, task 1138 2 [104443]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher166, task 1666 2 [40029]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher069, task 707 3 [48491]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher190, task 2002 2 [116048]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher184, task 1907 3 [27315]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher177, task 1810 2 [63776]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher039, task 370 2 [52667]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher003, task 4 4 [85143]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher054, task 530 2 [124178]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher016, task 146 2 [115880]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher063, task 674 2 [101182]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher088, task 962 2 [112455]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher060, task 626 2 [50629]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher050, task 482 2 [10228]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher084, task 915 3 [5268]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher057, task 580 4 [21424]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher141, task 1300 4 [21447]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher006, task 50 2 [60718]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher131, task 1155 3 [27952]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher188, task 1972 4 [18228]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher170, task 1730 2 [20533]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher178, task 1826 2 [24001]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher008, task 66 2 [42142]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher096, task 1026 2 [55838]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher064, task 690 2 [60041]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher139, task 1266 2 [123093]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher152, task 1458 2 [22976]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher071, task 738 2 [27973]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher058, task 594 2 [124162]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher013, task 114 2 [121325]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher168, task 1699 3 [45731]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher004, task 18 2 [102584]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher082, task 882 2 [2366]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher176, task 1794 2 [107803]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher022, task 210 2 [57011]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher192, task 2034 2 [11551]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher052, task 498 2 [98880]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher136, task 1234 2 [48672]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher163, task 1618 2 [33460]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher018, task 180 4 [76248]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher180, task 1858 2 [17275]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher133, task 1186 2 [129787]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher140, task 1282 2 [65470]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher083, task 898 2 [25303]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher090, task 994 2 [94652]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher049, task 466 2 [41619]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher109, task 1090 2 [19904]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher153, task 1474 2 [55582]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher169, task 1714 2 [25958]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher025, task 226 2 [109292]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher011, task 84 4 [22291]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher157, task 1522 2 [94921]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher185, task 1921 1 [98810]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher106, task 1057 1 [69232]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher148, task 1394 2 [117033]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher167, task 1681 1 [40722]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher151, task 1442 2 [129544]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher151, task 1443 3 [129545]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher092, task 1009 1 [23554]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher164, task 1633 1 [38562]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher175, task 1777 1 [122094]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher161, task 1585 1 [117383]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher037, task 337 1 [118382]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher043, task 433 1 [120746]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher191, task 2017 1 [2080]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher138, task 1249 1 [10891]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher021, task 193 1 [56056]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher155, task 1489 1 [77582]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher135, task 1218 2 [123044]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher135, task 1219 3 [123045]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher179, task 1841 1 [83023]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher149, task 1410 2 [103328]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher165, task 1650 2 [44721]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher165, task 1651 3 [44722]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher132, task 1169 1 [62540]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher171, task 1745 1 [66222]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher159, task 1553 1 [103898]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher031, task 305 1 [90961]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher182, task 1889 1 [77735]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher189, task 1986 2 [89597]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher189, task 1987 3 [89598]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher048, task 449 1 [26688]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher162, task 1601 1 [17711]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher079, task 833 1 [30747]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher129, task 1121 1 [42559]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher089, task 978 2 [121514]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher080, task 849 1 [87830]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher150, task 1426 2 [129036]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher098, task 1042 2 [3445]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher147, task 1378 2 [62399]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher147, task 1379 3 [62400]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher144, task 1329 1 [41005]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher172, task 1761 1 [86474]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher187, task 1953 1 [21428]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher015, task 129 1 [87339]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher160, task 1569 1 [5394]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher053, task 513 1 [80757]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher042, task 417 1 [8294]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher029, task 273 1 [114247]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher070, task 720 0 [60204]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher134, task 1200 0 [43611]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher027, task 240 0 [11301]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher027, task 241 1 [11302]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher145, task 1344 0 [95230]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher145, task 1345 1 [95231]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher040, task 384 0 [21774]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher030, task 288 0 [126089]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher081, task 864 0 [31607]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher158, task 1536 0 [103341]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher181, task 1872 0 [96888]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher181, task 1873 1 [96889]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher110, task 1104 0 [39059]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher110, task 1105 1 [39060]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher073, task 768 0 [86189]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher012, task 96 0 [47817]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher012, task 97 1 [47818]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher028, task 256 0 [72197]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher061, task 640 0 [117801]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher074, task 784 0 [27840]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher074, task 785 1 [27841]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher085, task 928 0 [122889]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher085, task 929 1 [122890]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher156, task 1504 0 [121538]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher041, task 400 0 [127325]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher108, task 1072 0 [4340]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher108, task 1073 1 [4341]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher038, task 352 0 [30170]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher186, task 1936 0 [96300]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher146, task 1360 0 [71837]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher146, task 1361 1 [71838]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher143, task 1312 0 [7112]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher055, task 544 0 [67345]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher017, task 160 0 [91893]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher017, task 161 1 [91894]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher078, task 822 6 [42880]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher072, task 758 6 [126424]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher059, task 614 6 [113610]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher056, task 564 4 [86544]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher032, task 326 6 [104954]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher077, task 804 4 [70720]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher062, task 660 4 [50431]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher087, task 950 6 [126596]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher005, task 35 3 [5305]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher130, task 1139 3 [104444]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher166, task 1667 3 [40030]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher069, task 708 4 [48492]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher190, task 2003 3 [116049]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher184, task 1908 4 [27316]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher177, task 1811 3 [63777]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher039, task 371 3 [52668]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher003, task 5 5 [85144]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher054, task 531 3 [124179]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher016, task 147 3 [115881]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher063, task 675 3 [101183]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher088, task 963 3 [112456]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher060, task 627 3 [50630]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher050, task 483 3 [10229]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher084, task 916 4 [5269]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher057, task 581 5 [21425]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher141, task 1301 5 [21448]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher006, task 51 3 [60719]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher131, task 1156 4 [27953]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher131, task 1157 5 [27954]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher188, task 1973 5 [18229]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher170, task 1731 3 [20534]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher178, task 1827 3 [24002]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher008, task 67 3 [42143]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher096, task 1027 3 [55839]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher064, task 691 3 [60042]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher139, task 1267 3 [123094]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher152, task 1459 3 [22977]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher071, task 739 3 [27974]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher058, task 595 3 [124163]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher013, task 115 3 [121326]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher168, task 1700 4 [45732]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher004, task 19 3 [102585]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher082, task 883 3 [2367]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher176, task 1795 3 [107804]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher022, task 211 3 [57012]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher192, task 2035 3 [11552]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher052, task 499 3 [98881]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher136, task 1235 3 [48673]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher163, task 1619 3 [33461]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher018, task 181 5 [76249]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher180, task 1859 3 [17276]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher133, task 1187 3 [129788]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher140, task 1283 3 [65471]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher083, task 899 3 [25304]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher090, task 995 3 [94653]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher049, task 467 3 [41620]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher109, task 1091 3 [19905]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher153, task 1475 3 [55583]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher169, task 1715 3 [25959]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher025, task 227 3 [109293]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher011, task 85 5 [22292]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher157, task 1523 3 [94922]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher185, task 1922 2 [98811]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher106, task 1058 2 [69233]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher148, task 1395 3 [117034]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher167, task 1682 2 [40723]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher151, task 1444 4 [129546]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher092, task 1010 2 [23555]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher164, task 1634 2 [38563]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher175, task 1778 2 [122095]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher161, task 1586 2 [117384]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher037, task 338 2 [118383]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher043, task 434 2 [120747]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher191, task 2018 2 [2081]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher138, task 1250 2 [10892]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher021, task 194 2 [56057]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher155, task 1490 2 [77583]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher135, task 1220 4 [123046]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher179, task 1842 2 [83024]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher149, task 1411 3 [103329]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher165, task 1652 4 [44723]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher132, task 1170 2 [62541]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher171, task 1746 2 [66223]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher159, task 1554 2 [103899]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher031, task 306 2 [90962]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher182, task 1890 2 [77736]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher189, task 1988 4 [89599]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher048, task 450 2 [26689]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher162, task 1602 2 [17712]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher079, task 834 2 [30748]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher129, task 1122 2 [42560]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher089, task 979 3 [121515]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher080, task 850 2 [87831]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher150, task 1427 3 [129037]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher098, task 1043 3 [3447]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher147, task 1380 4 [62401]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher144, task 1330 2 [41006]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher172, task 1762 2 [86475]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher187, task 1954 2 [21429]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher015, task 130 2 [87340]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher160, task 1570 2 [5395]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher053, task 514 2 [80758]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher042, task 418 2 [8295]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher029, task 274 2 [114248]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher070, task 721 1 [60205]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher134, task 1201 1 [43612]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher027, task 242 2 [11303]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher027, task 243 3 [11304]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher145, task 1346 2 [95232]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher145, task 1347 3 [95233]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher040, task 385 1 [21775]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher040, task 386 2 [21776]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher030, task 289 1 [126090]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher081, task 865 1 [31608]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher158, task 1537 1 [103342]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher181, task 1874 2 [96890]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher110, task 1106 2 [39061]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher110, task 1107 3 [39062]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher073, task 769 1 [86190]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher012, task 98 2 [47819]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher028, task 257 1 [72198]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher061, task 641 1 [117802]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher074, task 786 2 [27842]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher085, task 930 2 [122891]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher085, task 931 3 [122892]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher156, task 1505 1 [121539]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher041, task 401 1 [127326]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher108, task 1074 2 [4342]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher038, task 353 1 [30171]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher186, task 1937 1 [96301]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher146, task 1362 2 [71839]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher143, task 1313 1 [7113]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher055, task 545 1 [67346]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher017, task 162 2 [91895]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher078, task 823 7 [42881]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher072, task 759 7 [126425]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher059, task 615 7 [113611]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher056, task 565 5 [86545]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher032, task 327 7 [104955]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher077, task 805 5 [70721]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher062, task 661 5 [50432]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher087, task 951 7 [126597]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher005, task 36 4 [5306]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher130, task 1140 4 [104445]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher166, task 1668 4 [40031]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher069, task 709 5 [48493]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher190, task 2004 4 [116050]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher184, task 1909 5 [27317]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher177, task 1812 4 [63778]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher039, task 372 4 [52669]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher003, task 6 6 [85145]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher054, task 532 4 [124180]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher016, task 148 4 [115882]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher063, task 676 4 [101184]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher088, task 964 4 [112457]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher060, task 628 4 [50631]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher050, task 484 4 [10230]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher084, task 917 5 [5270]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher057, task 582 6 [21426]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher141, task 1302 6 [21449]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher006, task 52 4 [60720]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher131, task 1158 6 [27955]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher188, task 1974 6 [18230]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher170, task 1732 4 [20535]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher178, task 1828 4 [24003]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher008, task 68 4 [42144]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher096, task 1028 4 [55840]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher064, task 692 4 [60043]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher139, task 1268 4 [123095]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher152, task 1460 4 [22978]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher071, task 740 4 [27975]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher058, task 596 4 [124164]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher013, task 116 4 [121327]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher168, task 1701 5 [45733]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher004, task 20 4 [102586]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher082, task 884 4 [2368]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher176, task 1796 4 [107805]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher022, task 212 4 [57013]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher192, task 2036 4 [11553]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher052, task 500 4 [98882]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher136, task 1236 4 [48674]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher163, task 1620 4 [33462]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher018, task 182 6 [76250]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher180, task 1860 4 [17277]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher133, task 1188 4 [129789]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher140, task 1284 4 [65472]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher083, task 900 4 [25305]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher090, task 996 4 [94654]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher049, task 468 4 [41621]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher109, task 1092 4 [19906]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher153, task 1476 4 [55584]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher169, task 1716 4 [25960]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher025, task 228 4 [109294]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher011, task 86 6 [22293]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher157, task 1524 4 [94923]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher185, task 1923 3 [98812]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher106, task 1059 3 [69234]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher148, task 1396 4 [117035]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher167, task 1683 3 [40724]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher151, task 1445 5 [129547]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher092, task 1011 3 [23556]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher164, task 1635 3 [38564]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher175, task 1779 3 [122096]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher161, task 1587 3 [117385]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher037, task 339 3 [118384]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher043, task 435 3 [120748]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher191, task 2019 3 [2082]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher138, task 1251 3 [10893]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher021, task 195 3 [56058]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher155, task 1491 3 [77584]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher135, task 1221 5 [123047]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher179, task 1843 3 [83025]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher149, task 1412 4 [103330]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher165, task 1653 5 [44724]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher132, task 1171 3 [62542]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher171, task 1747 3 [66224]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher159, task 1555 3 [103900]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher031, task 307 3 [90963]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher182, task 1891 3 [77737]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher189, task 1989 5 [89600]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher048, task 451 3 [26690]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher162, task 1603 3 [17713]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher079, task 835 3 [30749]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher129, task 1123 3 [42561]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher089, task 980 4 [121516]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher080, task 851 3 [87832]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher150, task 1428 4 [129038]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher098, task 1044 4 [3448]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher147, task 1381 5 [62402]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher144, task 1331 3 [41007]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher172, task 1763 3 [86476]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher187, task 1955 3 [21430]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher015, task 131 3 [87341]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher160, task 1571 3 [5396]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher053, task 515 3 [80759]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher042, task 419 3 [8296]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher029, task 275 3 [114249]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher070, task 722 2 [60206]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher134, task 1202 2 [43613]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher027, task 244 4 [11305]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher145, task 1348 4 [95234]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher040, task 387 3 [21777]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher030, task 290 2 [126091]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher081, task 866 2 [31609]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher158, task 1538 2 [103343]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher181, task 1875 3 [96891]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher110, task 1108 4 [39063]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher110, task 1109 5 [39064]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher073, task 770 2 [86191]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher012, task 99 3 [47820]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher028, task 258 2 [72199]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher061, task 642 2 [117803]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher074, task 787 3 [27843]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher085, task 932 4 [122893]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher156, task 1506 2 [121540]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher041, task 402 2 [127327]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher108, task 1075 3 [4343]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher038, task 354 2 [30172]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher186, task 1938 2 [96302]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher146, task 1363 3 [71840]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher143, task 1314 2 [7114]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher055, task 546 2 [67347]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher017, task 163 3 [91896]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher078, task 824 8 [42882]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher072, task 760 8 [126426]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher059, task 616 8 [113612]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher056, task 566 6 [86546]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher032, task 328 8 [104956]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher077, task 806 6 [70722]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher062, task 662 6 [50433]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher087, task 952 8 [126598]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher005, task 37 5 [5307]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher130, task 1141 5 [104446]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher166, task 1669 5 [40032]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher069, task 710 6 [48494]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher190, task 2005 5 [116051]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher184, task 1910 6 [27318]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher177, task 1813 5 [63779]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher039, task 373 5 [52670]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher003, task 7 7 [85146]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher054, task 533 5 [124181]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher016, task 149 5 [115883]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher063, task 677 5 [101185]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher088, task 965 5 [112458]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher060, task 629 5 [50632]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher050, task 485 5 [10231]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher084, task 918 6 [5271]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher057, task 583 7 [21427]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher141, task 1303 7 [21450]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher006, task 53 5 [60721]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher131, task 1159 7 [27956]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher188, task 1975 7 [18231]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher170, task 1733 5 [20536]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher178, task 1829 5 [24004]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher008, task 69 5 [42145]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher096, task 1029 5 [55841]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher064, task 693 5 [60044]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher139, task 1269 5 [123096]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher152, task 1461 5 [22979]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher071, task 741 5 [27976]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher058, task 597 5 [124165]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher013, task 117 5 [121328]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher168, task 1702 6 [45734]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher004, task 21 5 [102587]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher082, task 885 5 [2369]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher176, task 1797 5 [107806]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher022, task 213 5 [57014]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher192, task 2037 5 [11554]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher052, task 501 5 [98883]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher136, task 1237 5 [48675]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher163, task 1621 5 [33463]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher018, task 183 7 [76251]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher180, task 1861 5 [17278]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher133, task 1189 5 [129790]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher140, task 1285 5 [65473]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher083, task 901 5 [25306]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher090, task 997 5 [94655]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher049, task 469 5 [41622]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher109, task 1093 5 [19907]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher153, task 1477 5 [55585]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher169, task 1717 5 [25961]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher025, task 229 5 [109295]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher011, task 87 7 [22294]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher157, task 1525 5 [94924]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher185, task 1924 4 [98813]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher106, task 1060 4 [69235]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher148, task 1397 5 [117036]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher167, task 1684 4 [40725]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher151, task 1446 6 [129548]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher092, task 1012 4 [23557]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher164, task 1636 4 [38565]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher175, task 1780 4 [122097]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher161, task 1588 4 [117386]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher037, task 340 4 [118385]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher043, task 436 4 [120749]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher191, task 2020 4 [2083]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher138, task 1252 4 [10894]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher021, task 196 4 [56059]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher155, task 1492 4 [77585]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher135, task 1222 6 [123048]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher179, task 1844 4 [83026]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher149, task 1413 5 [103331]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher165, task 1654 6 [44725]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher132, task 1172 4 [62543]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher171, task 1748 4 [66225]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher159, task 1556 4 [103901]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher031, task 308 4 [90964]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher182, task 1892 4 [77738]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher189, task 1990 6 [89601]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher048, task 452 4 [26691]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher162, task 1604 4 [17714]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher079, task 836 4 [30750]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher129, task 1124 4 [42562]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher089, task 981 5 [121517]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher080, task 852 4 [87833]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher150, task 1429 5 [129039]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher098, task 1045 5 [3449]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher147, task 1382 6 [62403]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher144, task 1332 4 [41008]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher172, task 1764 4 [86477]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher187, task 1956 4 [21431]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher015, task 132 4 [87342]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher160, task 1572 4 [5397]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher053, task 516 4 [80760]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher042, task 420 4 [8297]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher029, task 276 4 [114250]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher070, task 723 3 [60207]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher134, task 1203 3 [43614]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher027, task 245 5 [11306]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher145, task 1349 5 [95235]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher040, task 388 4 [21778]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher030, task 291 3 [126092]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher081, task 867 3 [31610]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher158, task 1539 3 [103344]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher181, task 1876 4 [96892]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher110, task 1110 6 [39065]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher073, task 771 3 [86192]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher012, task 100 4 [47821]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher028, task 259 3 [72200]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher061, task 643 3 [117804]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher074, task 788 4 [27844]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher085, task 933 5 [122894]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher156, task 1507 3 [121541]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher041, task 403 3 [127328]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher108, task 1076 4 [4344]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher038, task 355 3 [30173]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher186, task 1939 3 [96303]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher146, task 1364 4 [71841]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher143, task 1315 3 [7115]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher055, task 547 3 [67348]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher017, task 164 4 [91897]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher078, task 825 9 [42883]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher072, task 761 9 [126427]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher059, task 617 9 [113613]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher056, task 567 7 [86547]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher032, task 329 9 [104957]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher077, task 807 7 [70723]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher062, task 663 7 [50434]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher087, task 953 9 [126599]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher005, task 38 6 [5308]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher130, task 1142 6 [104447]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher166, task 1670 6 [40033]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher069, task 711 7 [48495]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher190, task 2006 6 [116052]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher184, task 1911 7 [27319]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher177, task 1814 6 [63780]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher039, task 374 6 [52671]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher003, task 8 8 [85147]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher054, task 534 6 [124182]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher016, task 150 6 [115884]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher063, task 678 6 [101186]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher088, task 966 6 [112459]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher060, task 630 6 [50633]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher050, task 486 6 [10232]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher084, task 919 7 [5272]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher057, task 584 8 [21428]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher141, task 1304 8 [21451]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher006, task 54 6 [60722]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher131, task 1160 8 [27957]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher188, task 1976 8 [18232]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher170, task 1734 6 [20537]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher178, task 1830 6 [24005]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher008, task 70 6 [42146]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher096, task 1030 6 [55842]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher064, task 694 6 [60045]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher139, task 1270 6 [123097]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher152, task 1462 6 [22980]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher071, task 742 6 [27977]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher058, task 598 6 [124166]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher013, task 118 6 [121329]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher168, task 1703 7 [45735]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher004, task 22 6 [102588]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher082, task 886 6 [2370]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher176, task 1798 6 [107807]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher022, task 214 6 [57015]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher192, task 2038 6 [11555]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher052, task 502 6 [98884]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher136, task 1238 6 [48676]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher163, task 1622 6 [33464]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher018, task 184 8 [76252]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher180, task 1862 6 [17279]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher133, task 1190 6 [129791]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher140, task 1286 6 [65474]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher083, task 902 6 [25307]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher090, task 998 6 [94656]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher049, task 470 6 [41623]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher109, task 1094 6 [19908]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher153, task 1478 6 [55586]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher169, task 1718 6 [25962]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher025, task 230 6 [109296]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher011, task 88 8 [22295]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher157, task 1526 6 [94925]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher185, task 1925 5 [98814]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher106, task 1061 5 [69236]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher148, task 1398 6 [117037]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher167, task 1685 5 [40726]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher151, task 1447 7 [129549]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher092, task 1013 5 [23558]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher164, task 1637 5 [38566]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher175, task 1781 5 [122098]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher161, task 1589 5 [117387]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher037, task 341 5 [118386]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher043, task 437 5 [120750]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher191, task 2021 5 [2084]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher138, task 1253 5 [10895]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher021, task 197 5 [56060]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher155, task 1493 5 [77586]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher135, task 1223 7 [123049]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher179, task 1845 5 [83027]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher149, task 1414 6 [103332]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher165, task 1655 7 [44726]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher132, task 1173 5 [62544]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher171, task 1749 5 [66226]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher159, task 1557 5 [103902]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher031, task 309 5 [90965]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher182, task 1893 5 [77739]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher189, task 1991 7 [89602]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher048, task 453 5 [26692]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher162, task 1605 5 [17715]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher079, task 837 5 [30751]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher129, task 1125 5 [42563]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher089, task 982 6 [121518]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher080, task 853 5 [87834]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher150, task 1430 6 [129040]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher098, task 1046 6 [3450]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher147, task 1383 7 [62404]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher144, task 1333 5 [41009]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher172, task 1765 5 [86478]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher187, task 1957 5 [21432]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher015, task 133 5 [87343]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher160, task 1573 5 [5398]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher053, task 517 5 [80761]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher042, task 421 5 [8298]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher029, task 277 5 [114251]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher070, task 724 4 [60208]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher134, task 1204 4 [43615]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher027, task 246 6 [11307]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher145, task 1350 6 [95236]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher040, task 389 5 [21779]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher030, task 292 4 [126093]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher081, task 868 4 [31611]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher158, task 1540 4 [103345]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher181, task 1877 5 [96893]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher110, task 1111 7 [39066]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher073, task 772 4 [86193]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher012, task 101 5 [47822]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher028, task 260 4 [72201]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher061, task 644 4 [117805]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher074, task 789 5 [27845]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher085, task 934 6 [122895]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher156, task 1508 4 [121542]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher041, task 404 4 [127329]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher108, task 1077 5 [4345]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher038, task 356 4 [30174]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher186, task 1940 4 [96304]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher146, task 1365 5 [71842]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher143, task 1316 4 [7116]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher055, task 548 4 [67349]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher017, task 165 5 [91898]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher078, task 826 10 [42884]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher072, task 762 10 [126428]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher059, task 618 10 [113614]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher056, task 568 8 [86548]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher032, task 330 10 [104958]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher077, task 808 8 [70724]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher062, task 664 8 [50435]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher087, task 954 10 [126600]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher005, task 39 7 [5309]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher130, task 1143 7 [104448]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher166, task 1671 7 [40034]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher069, task 712 8 [48496]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher190, task 2007 7 [116053]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher184, task 1912 8 [27320]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher177, task 1815 7 [63781]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher039, task 375 7 [52672]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher003, task 9 9 [85148]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher054, task 535 7 [124183]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher016, task 151 7 [115885]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher063, task 679 7 [101187]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher088, task 967 7 [112460]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher060, task 631 7 [50634]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher050, task 487 7 [10233]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher084, task 920 8 [5273]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher057, task 585 9 [21429]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher141, task 1305 9 [21452]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher006, task 55 7 [60723]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher131, task 1161 9 [27958]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher188, task 1977 9 [18233]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher170, task 1735 7 [20538]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher178, task 1831 7 [24006]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher008, task 71 7 [42147]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher096, task 1031 7 [55843]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher064, task 695 7 [60046]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher139, task 1271 7 [123098]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher152, task 1463 7 [22981]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher071, task 743 7 [27978]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher058, task 599 7 [124167]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher013, task 119 7 [121330]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher168, task 1704 8 [45736]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher004, task 23 7 [102589]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher082, task 887 7 [2371]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher176, task 1799 7 [107808]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher022, task 215 7 [57016]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher192, task 2039 7 [11556]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher052, task 503 7 [98885]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher136, task 1239 7 [48677]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher163, task 1623 7 [33465]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher018, task 185 9 [76253]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher180, task 1863 7 [17280]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher133, task 1191 7 [129792]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher140, task 1287 7 [65475]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher083, task 903 7 [25308]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher090, task 999 7 [94657]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher049, task 471 7 [41624]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher109, task 1095 7 [19909]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher153, task 1479 7 [55587]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher169, task 1719 7 [25963]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher025, task 231 7 [109297]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher011, task 89 9 [22296]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher157, task 1527 7 [94926]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher185, task 1926 6 [98815]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher106, task 1062 6 [69237]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher148, task 1399 7 [117038]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher167, task 1686 6 [40727]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher151, task 1448 8 [129550]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher092, task 1014 6 [23559]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher164, task 1638 6 [38567]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher175, task 1782 6 [122099]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher161, task 1590 6 [117388]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher037, task 342 6 [118387]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher043, task 438 6 [120751]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher191, task 2022 6 [2085]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher138, task 1254 6 [10896]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher021, task 198 6 [56061]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher155, task 1494 6 [77587]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher135, task 1224 8 [123050]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher179, task 1846 6 [83028]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher149, task 1415 7 [103333]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher165, task 1656 8 [44727]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher132, task 1174 6 [62545]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher171, task 1750 6 [66227]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher159, task 1558 6 [103903]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher031, task 310 6 [90966]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher182, task 1894 6 [77740]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher189, task 1992 8 [89603]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher048, task 454 6 [26693]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher162, task 1606 6 [17716]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher079, task 838 6 [30752]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher129, task 1126 6 [42564]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher089, task 983 7 [121519]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher080, task 854 6 [87835]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher150, task 1431 7 [129041]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher098, task 1047 7 [3451]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher147, task 1384 8 [62405]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher144, task 1334 6 [41010]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher172, task 1766 6 [86479]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher187, task 1958 6 [21433]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher015, task 134 6 [87344]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher160, task 1574 6 [5399]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher053, task 518 6 [80762]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher042, task 422 6 [8299]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher029, task 278 6 [114252]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher070, task 725 5 [60209]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher134, task 1205 5 [43616]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher027, task 247 7 [11308]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher145, task 1351 7 [95237]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher040, task 390 6 [21780]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher030, task 293 5 [126094]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher081, task 869 5 [31612]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher158, task 1541 5 [103346]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher181, task 1878 6 [96894]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher110, task 1112 8 [39067]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher073, task 773 5 [86194]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher012, task 102 6 [47823]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher028, task 261 5 [72202]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher061, task 645 5 [117806]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher074, task 790 6 [27846]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher085, task 935 7 [122896]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher156, task 1509 5 [121543]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher041, task 405 5 [127330]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher108, task 1078 6 [4346]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher038, task 357 5 [30175]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher186, task 1941 5 [96305]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher146, task 1366 6 [71843]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher143, task 1317 5 [7117]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher055, task 549 5 [67350]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher017, task 166 6 [91899]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher078, task 827 11 [42885]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher072, task 763 11 [126429]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher059, task 619 11 [113615]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher056, task 569 9 [86549]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher032, task 331 11 [104959]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher077, task 809 9 [70725]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher062, task 665 9 [50436]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher087, task 955 11 [126601]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher005, task 40 8 [5310]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher130, task 1144 8 [104449]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher166, task 1672 8 [40035]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher069, task 713 9 [48497]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher190, task 2008 8 [116054]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher184, task 1913 9 [27321]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher177, task 1816 8 [63782]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher039, task 376 8 [52673]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher003, task 10 10 [85149]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher054, task 536 8 [124184]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher016, task 152 8 [115886]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher063, task 680 8 [101188]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher088, task 968 8 [112461]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher060, task 632 8 [50635]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher050, task 488 8 [10234]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher084, task 921 9 [5274]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher057, task 586 10 [21430]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher141, task 1306 10 [21453]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher006, task 56 8 [60724]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher131, task 1162 10 [27959]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher188, task 1978 10 [18234]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher170, task 1736 8 [20539]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher178, task 1832 8 [24007]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher008, task 72 8 [42148]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher096, task 1032 8 [55844]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher064, task 696 8 [60047]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher139, task 1272 8 [123099]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher152, task 1464 8 [22982]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher071, task 744 8 [27979]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher058, task 600 8 [124168]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher013, task 120 8 [121331]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher168, task 1705 9 [45737]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher004, task 24 8 [102590]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher082, task 888 8 [2372]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher176, task 1800 8 [107809]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher022, task 216 8 [57017]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher192, task 2040 8 [11557]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher052, task 504 8 [98886]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher136, task 1240 8 [48678]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher163, task 1624 8 [33466]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher018, task 186 10 [76254]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher180, task 1864 8 [17281]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher133, task 1192 8 [129793]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher140, task 1288 8 [65476]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher083, task 904 8 [25309]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher090, task 1000 8 [94658]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher049, task 472 8 [41625]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher109, task 1096 8 [19910]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher153, task 1480 8 [55588]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher169, task 1720 8 [25964]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher025, task 232 8 [109298]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher011, task 90 10 [22297]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher157, task 1528 8 [94927]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher185, task 1927 7 [98816]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher106, task 1063 7 [69238]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher148, task 1400 8 [117039]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher167, task 1687 7 [40728]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher151, task 1449 9 [129551]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher092, task 1015 7 [23560]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher164, task 1639 7 [38568]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher175, task 1783 7 [122100]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher161, task 1591 7 [117389]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher037, task 343 7 [118388]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher043, task 439 7 [120752]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher191, task 2023 7 [2086]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher138, task 1255 7 [10897]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher021, task 199 7 [56062]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher155, task 1495 7 [77588]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher135, task 1225 9 [123051]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher179, task 1847 7 [83029]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher149, task 1416 8 [103334]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher165, task 1657 9 [44728]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher132, task 1175 7 [62546]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher171, task 1751 7 [66228]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher159, task 1559 7 [103904]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher031, task 311 7 [90967]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher182, task 1895 7 [77741]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher189, task 1993 9 [89604]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher048, task 455 7 [26694]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher162, task 1607 7 [17717]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher079, task 839 7 [30753]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher129, task 1127 7 [42565]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher089, task 984 8 [121520]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher080, task 855 7 [87836]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher150, task 1432 8 [129042]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher098, task 1048 8 [3452]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher147, task 1385 9 [62406]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher144, task 1335 7 [41011]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher172, task 1767 7 [86480]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher187, task 1959 7 [21434]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher015, task 135 7 [87345]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher160, task 1575 7 [5400]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher053, task 519 7 [80763]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher042, task 423 7 [8300]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher029, task 279 7 [114253]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher070, task 726 6 [60210]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher134, task 1206 6 [43617]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher027, task 248 8 [11309]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher145, task 1352 8 [95238]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher040, task 391 7 [21781]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher030, task 294 6 [126095]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher081, task 870 6 [31613]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher158, task 1542 6 [103347]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher181, task 1879 7 [96895]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher110, task 1113 9 [39068]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher073, task 774 6 [86195]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher012, task 103 7 [47824]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher028, task 262 6 [72203]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher061, task 646 6 [117807]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher074, task 791 7 [27847]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher085, task 936 8 [122897]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher156, task 1510 6 [121544]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher041, task 406 6 [127331]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher108, task 1079 7 [4347]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher038, task 358 6 [30176]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher186, task 1942 6 [96306]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher146, task 1367 7 [71844]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher143, task 1318 6 [7118]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher055, task 550 6 [67351]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher017, task 167 7 [91900]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher078, task 828 12 [42886]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher072, task 764 12 [126430]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher059, task 620 12 [113616]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher056, task 570 10 [86550]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher032, task 332 12 [104960]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher077, task 810 10 [70726]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher062, task 666 10 [50437]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher087, task 956 12 [126602]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher005, task 41 9 [5311]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher130, task 1145 9 [104450]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher166, task 1673 9 [40036]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher069, task 714 10 [48498]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher190, task 2009 9 [116055]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher184, task 1914 10 [27322]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher177, task 1817 9 [63783]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher039, task 377 9 [52674]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher003, task 11 11 [85150]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher054, task 537 9 [124185]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher016, task 153 9 [115887]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher063, task 681 9 [101189]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher088, task 969 9 [112462]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher060, task 633 9 [50636]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher050, task 489 9 [10235]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher084, task 922 10 [5275]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher057, task 587 11 [21431]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher141, task 1307 11 [21454]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher006, task 57 9 [60725]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher131, task 1163 11 [27960]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher188, task 1979 11 [18235]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher170, task 1737 9 [20540]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher178, task 1833 9 [24008]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher008, task 73 9 [42149]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher096, task 1033 9 [55845]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher064, task 697 9 [60048]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher139, task 1273 9 [123100]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher152, task 1465 9 [22983]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher071, task 745 9 [27980]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher058, task 601 9 [124169]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher013, task 121 9 [121332]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher168, task 1706 10 [45738]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher004, task 25 9 [102591]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher082, task 889 9 [2373]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher176, task 1801 9 [107810]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher022, task 217 9 [57018]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher192, task 2041 9 [11558]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher052, task 505 9 [98887]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher136, task 1241 9 [48679]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher163, task 1625 9 [33467]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher018, task 187 11 [76255]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher180, task 1865 9 [17282]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher133, task 1193 9 [129794]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher140, task 1289 9 [65477]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher083, task 905 9 [25310]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher090, task 1001 9 [94659]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher049, task 473 9 [41626]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher109, task 1097 9 [19911]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher153, task 1481 9 [55589]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher169, task 1721 9 [25965]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher025, task 233 9 [109299]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher011, task 91 11 [22298]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher157, task 1529 9 [94928]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher185, task 1928 8 [98817]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher106, task 1064 8 [69239]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher148, task 1401 9 [117040]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher167, task 1688 8 [40729]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher151, task 1450 10 [129552]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher092, task 1016 8 [23561]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher164, task 1640 8 [38569]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher175, task 1784 8 [122101]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher161, task 1592 8 [117390]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher037, task 344 8 [118389]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher043, task 440 8 [120753]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher191, task 2024 8 [2087]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher138, task 1256 8 [10898]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher021, task 200 8 [56063]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher155, task 1496 8 [77589]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher135, task 1226 10 [123052]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher179, task 1848 8 [83030]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher149, task 1417 9 [103335]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher165, task 1658 10 [44729]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher132, task 1176 8 [62547]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher171, task 1752 8 [66229]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher159, task 1560 8 [103905]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher031, task 312 8 [90968]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher182, task 1896 8 [77742]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher189, task 1994 10 [89605]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher048, task 456 8 [26695]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher162, task 1608 8 [17718]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher079, task 840 8 [30754]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher129, task 1128 8 [42566]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher089, task 985 9 [121521]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher080, task 856 8 [87837]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher150, task 1433 9 [129043]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher098, task 1049 9 [3453]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher147, task 1386 10 [62407]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher144, task 1336 8 [41012]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher172, task 1768 8 [86481]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher187, task 1960 8 [21435]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher015, task 136 8 [87346]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher160, task 1576 8 [5401]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher053, task 520 8 [80764]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher042, task 424 8 [8301]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher029, task 280 8 [114254]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher070, task 727 7 [60211]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher134, task 1207 7 [43618]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher027, task 249 9 [11310]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher145, task 1353 9 [95239]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher040, task 392 8 [21782]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher030, task 295 7 [126096]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher081, task 871 7 [31614]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher158, task 1543 7 [103348]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher181, task 1880 8 [96896]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher110, task 1114 10 [39069]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher073, task 775 7 [86196]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher012, task 104 8 [47825]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher028, task 263 7 [72204]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher061, task 647 7 [117808]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher074, task 792 8 [27848]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher085, task 937 9 [122898]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher156, task 1511 7 [121545]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher041, task 407 7 [127332]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher108, task 1080 8 [4348]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher038, task 359 7 [30177]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher186, task 1943 7 [96307]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher146, task 1368 8 [71845]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher143, task 1319 7 [7119]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher055, task 551 7 [67352]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher017, task 168 8 [91901]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher078, task 829 13 [42887]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher072, task 765 13 [126431]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher059, task 621 13 [113617]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher056, task 571 11 [86551]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher032, task 333 13 [104961]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher077, task 811 11 [70727]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher062, task 667 11 [50438]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher087, task 957 13 [126603]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher005, task 42 10 [5312]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher130, task 1146 10 [104451]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher166, task 1674 10 [40037]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher069, task 715 11 [48499]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher190, task 2010 10 [116056]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher184, task 1915 11 [27323]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher177, task 1818 10 [63784]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher039, task 378 10 [52675]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher003, task 12 12 [85151]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher054, task 538 10 [124186]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher016, task 154 10 [115888]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher063, task 682 10 [101190]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher088, task 970 10 [112463]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher060, task 634 10 [50637]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher050, task 490 10 [10236]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher084, task 923 11 [5276]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher057, task 588 12 [21432]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher141, task 1308 12 [21455]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher006, task 58 10 [60726]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher131, task 1164 12 [27961]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher188, task 1980 12 [18236]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher170, task 1738 10 [20541]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher178, task 1834 10 [24009]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher008, task 74 10 [42150]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher096, task 1034 10 [55846]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher064, task 698 10 [60049]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher139, task 1274 10 [123101]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher152, task 1466 10 [22984]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher071, task 746 10 [27981]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher058, task 602 10 [124170]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher013, task 122 10 [121333]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher168, task 1707 11 [45739]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher004, task 26 10 [102592]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher082, task 890 10 [2374]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher176, task 1802 10 [107811]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher022, task 218 10 [57019]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher192, task 2042 10 [11559]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher052, task 506 10 [98888]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher136, task 1242 10 [48680]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher163, task 1626 10 [33468]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher018, task 188 12 [76256]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher180, task 1866 10 [17283]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher133, task 1194 10 [129795]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher140, task 1290 10 [65478]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher083, task 906 10 [25311]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher090, task 1002 10 [94660]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher049, task 474 10 [41627]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher109, task 1098 10 [19912]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher153, task 1482 10 [55590]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher169, task 1722 10 [25966]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher025, task 234 10 [109300]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher011, task 92 12 [22299]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher157, task 1530 10 [94929]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher185, task 1929 9 [98818]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher106, task 1065 9 [69240]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher148, task 1402 10 [117041]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher167, task 1689 9 [40730]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher151, task 1451 11 [129553]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher092, task 1017 9 [23562]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher164, task 1641 9 [38570]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher175, task 1785 9 [122102]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher161, task 1593 9 [117391]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher037, task 345 9 [118390]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher043, task 441 9 [120754]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher191, task 2025 9 [2088]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher138, task 1257 9 [10899]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher021, task 201 9 [56064]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher155, task 1497 9 [77590]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher135, task 1227 11 [123053]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher179, task 1849 9 [83031]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher149, task 1418 10 [103336]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher165, task 1659 11 [44730]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher132, task 1177 9 [62548]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher171, task 1753 9 [66230]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher159, task 1561 9 [103906]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher031, task 313 9 [90969]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher182, task 1897 9 [77743]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher189, task 1995 11 [89606]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher048, task 457 9 [26696]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher162, task 1609 9 [17719]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher079, task 841 9 [30755]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher129, task 1129 9 [42567]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher089, task 986 10 [121522]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher080, task 857 9 [87838]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher150, task 1434 10 [129044]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher098, task 1050 10 [3457]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher147, task 1387 11 [62408]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher144, task 1337 9 [41013]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher172, task 1769 9 [86482]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher187, task 1961 9 [21436]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher015, task 137 9 [87347]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher160, task 1577 9 [5402]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher053, task 521 9 [80765]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher042, task 425 9 [8302]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher029, task 281 9 [114255]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher070, task 728 8 [60212]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher134, task 1208 8 [43619]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher027, task 250 10 [11311]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher145, task 1354 10 [95240]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher040, task 393 9 [21783]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher030, task 296 8 [126097]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher081, task 872 8 [31615]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher158, task 1544 8 [103349]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher181, task 1881 9 [96897]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher110, task 1115 11 [39070]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher073, task 776 8 [86197]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher012, task 105 9 [47826]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher028, task 264 8 [72205]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher061, task 648 8 [117809]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher074, task 793 9 [27849]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher085, task 938 10 [122899]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher156, task 1512 8 [121546]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher041, task 408 8 [127333]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher108, task 1081 9 [4349]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher038, task 360 8 [30178]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher186, task 1944 8 [96308]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher146, task 1369 9 [71846]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher143, task 1320 8 [7120]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher055, task 552 8 [67353]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher017, task 169 9 [91902]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher078, task 830 14 [42888]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher072, task 766 14 [126432]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher059, task 622 14 [113618]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher056, task 572 12 [86552]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher032, task 334 14 [104962]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher077, task 812 12 [70728]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher062, task 668 12 [50439]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher087, task 958 14 [126604]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher005, task 43 11 [5313]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher130, task 1147 11 [104452]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher166, task 1675 11 [40038]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher069, task 716 12 [48500]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher190, task 2011 11 [116057]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher184, task 1916 12 [27324]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher177, task 1819 11 [63785]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher039, task 379 11 [52676]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher003, task 13 13 [85152]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher054, task 539 11 [124187]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher016, task 155 11 [115889]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher063, task 683 11 [101191]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher088, task 971 11 [112464]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher060, task 635 11 [50638]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher050, task 491 11 [10237]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher084, task 924 12 [5277]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher057, task 589 13 [21433]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher141, task 1309 13 [21456]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher006, task 59 11 [60727]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher131, task 1165 13 [27962]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher188, task 1981 13 [18237]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher170, task 1739 11 [20542]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher178, task 1835 11 [24010]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher008, task 75 11 [42151]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher096, task 1035 11 [55847]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher064, task 699 11 [60050]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher139, task 1275 11 [123102]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher152, task 1467 11 [22985]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher071, task 747 11 [27982]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher058, task 603 11 [124171]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher013, task 123 11 [121334]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher168, task 1708 12 [45740]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher004, task 27 11 [102593]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher082, task 891 11 [2375]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher176, task 1803 11 [107812]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher022, task 219 11 [57020]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher192, task 2043 11 [11560]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher052, task 507 11 [98889]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher136, task 1243 11 [48681]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher163, task 1627 11 [33469]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher018, task 189 13 [76257]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher180, task 1867 11 [17284]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher133, task 1195 11 [129796]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher140, task 1291 11 [65479]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher083, task 907 11 [25312]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher090, task 1003 11 [94661]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher049, task 475 11 [41628]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher109, task 1099 11 [19913]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher153, task 1483 11 [55591]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher169, task 1723 11 [25967]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher025, task 235 11 [109301]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher011, task 93 13 [22300]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher157, task 1531 11 [94930]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher185, task 1930 10 [98819]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher106, task 1066 10 [69241]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher148, task 1403 11 [117042]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher167, task 1690 10 [40731]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher151, task 1452 12 [129554]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher092, task 1018 10 [23563]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher164, task 1642 10 [38571]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher175, task 1786 10 [122103]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher161, task 1594 10 [117392]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher037, task 346 10 [118391]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher043, task 442 10 [120755]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher191, task 2026 10 [2089]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher138, task 1258 10 [10900]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher021, task 202 10 [56065]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher155, task 1498 10 [77591]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher135, task 1228 12 [123054]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher179, task 1850 10 [83032]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher149, task 1419 11 [103337]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher165, task 1660 12 [44731]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher132, task 1178 10 [62549]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher171, task 1754 10 [66231]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher159, task 1562 10 [103907]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher031, task 314 10 [90970]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher182, task 1898 10 [77744]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher189, task 1996 12 [89607]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher048, task 458 10 [26697]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher162, task 1610 10 [17720]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher079, task 842 10 [30756]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher129, task 1130 10 [42568]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher089, task 987 11 [121523]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher080, task 858 10 [87839]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher150, task 1435 11 [129045]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher098, task 1051 11 [3460]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher147, task 1388 12 [62409]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher144, task 1338 10 [41014]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher172, task 1770 10 [86483]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher187, task 1962 10 [21437]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher015, task 138 10 [87348]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher160, task 1578 10 [5403]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher053, task 522 10 [80766]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher042, task 426 10 [8303]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher029, task 282 10 [114256]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher070, task 729 9 [60213]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher134, task 1209 9 [43620]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher027, task 251 11 [11312]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher145, task 1355 11 [95241]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher040, task 394 10 [21784]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher030, task 297 9 [126098]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher081, task 873 9 [31616]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher158, task 1545 9 [103350]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher181, task 1882 10 [96898]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher110, task 1116 12 [39071]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher073, task 777 9 [86198]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher012, task 106 10 [47827]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher028, task 265 9 [72206]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher061, task 649 9 [117810]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher074, task 794 10 [27850]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher085, task 939 11 [122900]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher156, task 1513 9 [121547]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher041, task 409 9 [127334]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher108, task 1082 10 [4350]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher038, task 361 9 [30179]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher186, task 1945 9 [96309]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher146, task 1370 10 [71847]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher143, task 1321 9 [7121]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher055, task 553 9 [67354]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher017, task 170 10 [91903]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher078, task 831 15 [42889]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher072, task 767 15 [126433]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher059, task 623 15 [113619]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher056, task 573 13 [86553]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher032, task 335 15 [104963]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher077, task 813 13 [70729]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher062, task 669 13 [50440]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher087, task 959 15 [126605]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher005, task 44 12 [5314]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher130, task 1148 12 [104453]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher166, task 1676 12 [40039]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher069, task 717 13 [48501]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher190, task 2012 12 [116058]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher184, task 1917 13 [27325]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher177, task 1820 12 [63786]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher039, task 380 12 [52677]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher003, task 14 14 [85153]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher054, task 540 12 [124188]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher016, task 156 12 [115890]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher063, task 684 12 [101192]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher088, task 972 12 [112465]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher060, task 636 12 [50639]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher050, task 492 12 [10238]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher084, task 925 13 [5278]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher057, task 590 14 [21434]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher141, task 1310 14 [21457]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher006, task 60 12 [60728]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher131, task 1166 14 [27963]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher188, task 1982 14 [18238]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher170, task 1740 12 [20543]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher178, task 1836 12 [24011]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher008, task 76 12 [42152]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher096, task 1036 12 [55848]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher064, task 700 12 [60051]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher139, task 1276 12 [123103]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher152, task 1468 12 [22986]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher071, task 748 12 [27983]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher058, task 604 12 [124172]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher013, task 124 12 [121335]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher168, task 1709 13 [45741]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher004, task 28 12 [102594]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher082, task 892 12 [2376]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher176, task 1804 12 [107813]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher022, task 220 12 [57021]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher192, task 2044 12 [11561]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher052, task 508 12 [98890]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher136, task 1244 12 [48682]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher163, task 1628 12 [33470]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher018, task 190 14 [76258]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher180, task 1868 12 [17285]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher133, task 1196 12 [129797]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher140, task 1292 12 [65480]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher083, task 908 12 [25313]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher090, task 1004 12 [94662]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher049, task 476 12 [41629]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher109, task 1100 12 [19914]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher153, task 1484 12 [55592]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher169, task 1724 12 [25968]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher025, task 236 12 [109302]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher011, task 94 14 [22301]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher157, task 1532 12 [94931]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher185, task 1931 11 [98820]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher106, task 1067 11 [69242]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher148, task 1404 12 [117043]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher167, task 1691 11 [40732]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher151, task 1453 13 [129555]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher092, task 1019 11 [23564]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher164, task 1643 11 [38572]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher175, task 1787 11 [122104]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher161, task 1595 11 [117393]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher037, task 347 11 [118392]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher043, task 443 11 [120756]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher191, task 2027 11 [2090]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher138, task 1259 11 [10901]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher021, task 203 11 [56066]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher155, task 1499 11 [77592]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher135, task 1229 13 [123055]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher179, task 1851 11 [83033]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher149, task 1420 12 [103338]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher165, task 1661 13 [44732]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher132, task 1179 11 [62550]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher171, task 1755 11 [66232]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher159, task 1563 11 [103908]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher031, task 315 11 [90971]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher182, task 1899 11 [77745]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher189, task 1997 13 [89608]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher048, task 459 11 [26698]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher162, task 1611 11 [17721]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher079, task 843 11 [30757]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher129, task 1131 11 [42569]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher089, task 988 12 [121524]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher080, task 859 11 [87840]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher150, task 1436 12 [129046]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher098, task 1052 12 [3461]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher147, task 1389 13 [62410]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher144, task 1339 11 [41015]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher172, task 1771 11 [86484]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher187, task 1963 11 [21438]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher015, task 139 11 [87349]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher160, task 1579 11 [5404]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher053, task 523 11 [80767]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher042, task 427 11 [8304]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher029, task 283 11 [114257]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher070, task 730 10 [60214]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher134, task 1210 10 [43621]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher027, task 252 12 [11313]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher145, task 1356 12 [95242]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher040, task 395 11 [21785]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher030, task 298 10 [126099]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher081, task 874 10 [31617]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher158, task 1546 10 [103351]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher181, task 1883 11 [96899]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher110, task 1117 13 [39072]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher073, task 778 10 [86199]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher012, task 107 11 [47828]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher028, task 266 10 [72207]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher061, task 650 10 [117811]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher074, task 795 11 [27851]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher085, task 940 12 [122901]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher156, task 1514 10 [121548]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher041, task 410 10 [127335]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher108, task 1083 11 [4351]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher038, task 362 10 [30180]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher186, task 1946 10 [96310]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher146, task 1371 11 [71848]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher143, task 1322 10 [7122]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher055, task 554 10 [67355]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher017, task 171 11 [91904]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher056, task 574 14 [86554]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher077, task 814 14 [70730]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher062, task 670 14 [50441]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher005, task 45 13 [5315]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher130, task 1149 13 [104454]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher166, task 1677 13 [40040]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher069, task 718 14 [48502]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher190, task 2013 13 [116059]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher184, task 1918 14 [27326]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher177, task 1821 13 [63787]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher039, task 381 13 [52678]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher003, task 15 15 [85154]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher054, task 541 13 [124189]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher016, task 157 13 [115891]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher063, task 685 13 [101193]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher088, task 973 13 [112466]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher060, task 637 13 [50640]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher050, task 493 13 [10239]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher084, task 926 14 [5279]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher057, task 591 15 [21435]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher141, task 1311 15 [21458]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher006, task 61 13 [60729]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher131, task 1167 15 [27964]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher188, task 1983 15 [18239]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher170, task 1741 13 [20544]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher178, task 1837 13 [24012]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher008, task 77 13 [42153]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher096, task 1037 13 [55849]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher064, task 701 13 [60052]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher139, task 1277 13 [123104]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher152, task 1469 13 [22987]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher071, task 749 13 [27984]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher058, task 605 13 [124173]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher013, task 125 13 [121336]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher168, task 1710 14 [45742]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher004, task 29 13 [102595]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher082, task 893 13 [2377]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher176, task 1805 13 [107814]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher022, task 221 13 [57022]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher192, task 2045 13 [11562]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher052, task 509 13 [98891]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher136, task 1245 13 [48683]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher163, task 1629 13 [33471]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher018, task 191 15 [76259]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher180, task 1869 13 [17286]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher133, task 1197 13 [129798]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher140, task 1293 13 [65481]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher083, task 909 13 [25314]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher090, task 1005 13 [94663]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher049, task 477 13 [41630]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher109, task 1101 13 [19915]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher153, task 1485 13 [55593]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher169, task 1725 13 [25969]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher025, task 237 13 [109303]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher011, task 95 15 [22302]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher157, task 1533 13 [94932]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher185, task 1932 12 [98821]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher106, task 1068 12 [69243]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher148, task 1405 13 [117044]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher167, task 1692 12 [40733]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher151, task 1454 14 [129556]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher092, task 1020 12 [23565]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher164, task 1644 12 [38573]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher175, task 1788 12 [122105]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher161, task 1596 12 [117394]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher037, task 348 12 [118393]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher043, task 444 12 [120757]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher191, task 2028 12 [2091]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher138, task 1260 12 [10902]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher021, task 204 12 [56067]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher155, task 1500 12 [77593]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher135, task 1230 14 [123056]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher179, task 1852 12 [83034]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher149, task 1421 13 [103339]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher165, task 1662 14 [44733]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher132, task 1180 12 [62551]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher171, task 1756 12 [66233]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher159, task 1564 12 [103909]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher031, task 316 12 [90972]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher182, task 1900 12 [77746]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher189, task 1998 14 [89609]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher048, task 460 12 [26699]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher162, task 1612 12 [17722]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher079, task 844 12 [30758]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher129, task 1132 12 [42570]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher089, task 989 13 [121525]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher080, task 860 12 [87841]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher150, task 1437 13 [129047]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher098, task 1053 13 [3463]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher147, task 1390 14 [62411]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher144, task 1340 12 [41016]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher172, task 1772 12 [86485]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher187, task 1964 12 [21439]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher015, task 140 12 [87350]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher160, task 1580 12 [5405]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher053, task 524 12 [80768]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher042, task 428 12 [8305]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher029, task 284 12 [114258]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher070, task 731 11 [60215]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher134, task 1211 11 [43622]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher027, task 253 13 [11314]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher145, task 1357 13 [95243]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher040, task 396 12 [21786]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher030, task 299 11 [126100]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher081, task 875 11 [31618]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher158, task 1547 11 [103352]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher181, task 1884 12 [96900]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher110, task 1118 14 [39073]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher073, task 779 11 [86200]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher012, task 108 12 [47829]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher028, task 267 11 [72208]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher061, task 651 11 [117812]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher074, task 796 12 [27852]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher085, task 941 13 [122902]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher156, task 1515 11 [121549]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher041, task 411 11 [127336]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher108, task 1084 12 [4352]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher038, task 363 11 [30181]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher186, task 1947 11 [96311]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher146, task 1372 12 [71849]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher143, task 1323 11 [7123]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher055, task 555 11 [67356]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher017, task 172 12 [91905]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher056, task 575 15 [86555]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher077, task 815 15 [70731]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher062, task 671 15 [50442]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher005, task 46 14 [5316]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher130, task 1150 14 [104455]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher166, task 1678 14 [40041]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher069, task 719 15 [48503]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher190, task 2014 14 [116060]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher184, task 1919 15 [27327]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher177, task 1822 14 [63788]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher039, task 382 14 [52679]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher054, task 542 14 [124190]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher016, task 158 14 [115892]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher063, task 686 14 [101194]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher088, task 974 14 [112467]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher060, task 638 14 [50641]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher050, task 494 14 [10240]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher084, task 927 15 [5280]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher006, task 62 14 [60730]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher170, task 1742 14 [20545]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher178, task 1838 14 [24013]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher008, task 78 14 [42154]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher096, task 1038 14 [55850]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher064, task 702 14 [60053]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher139, task 1278 14 [123105]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher152, task 1470 14 [22988]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher071, task 750 14 [27985]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher058, task 606 14 [124174]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher013, task 126 14 [121337]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher168, task 1711 15 [45743]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher004, task 30 14 [102596]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher082, task 894 14 [2378]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher176, task 1806 14 [107815]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher022, task 222 14 [57023]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher192, task 2046 14 [11563]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher052, task 510 14 [98892]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher136, task 1246 14 [48684]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher163, task 1630 14 [33472]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher180, task 1870 14 [17287]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher133, task 1198 14 [129799]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher140, task 1294 14 [65482]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher083, task 910 14 [25315]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher090, task 1006 14 [94664]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher049, task 478 14 [41631]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher109, task 1102 14 [19916]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher153, task 1486 14 [55594]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher169, task 1726 14 [25970]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher025, task 238 14 [109304]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher157, task 1534 14 [94933]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher185, task 1933 13 [98822]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher106, task 1069 13 [69244]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher148, task 1406 14 [117045]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher167, task 1693 13 [40734]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher151, task 1455 15 [129557]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher092, task 1021 13 [23566]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher164, task 1645 13 [38574]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher175, task 1789 13 [122106]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher161, task 1597 13 [117395]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher037, task 349 13 [118394]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher043, task 445 13 [120758]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher191, task 2029 13 [2092]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher138, task 1261 13 [10903]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher021, task 205 13 [56068]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher155, task 1501 13 [77594]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher135, task 1231 15 [123057]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher179, task 1853 13 [83035]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher149, task 1422 14 [103340]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher165, task 1663 15 [44734]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher132, task 1181 13 [62552]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher171, task 1757 13 [66234]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher159, task 1565 13 [103910]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher031, task 317 13 [90973]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher182, task 1901 13 [77747]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher189, task 1999 15 [89610]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher048, task 461 13 [26700]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher162, task 1613 13 [17723]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher079, task 845 13 [30759]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher129, task 1133 13 [42571]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher089, task 990 14 [121526]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher080, task 861 13 [87842]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher150, task 1438 14 [129048]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher098, task 1054 14 [3464]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher147, task 1391 15 [62412]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher144, task 1341 13 [41017]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher172, task 1773 13 [86486]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher187, task 1965 13 [21440]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher015, task 141 13 [87351]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher160, task 1581 13 [5406]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher053, task 525 13 [80769]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher042, task 429 13 [8306]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher029, task 285 13 [114259]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher070, task 732 12 [60216]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher134, task 1212 12 [43623]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher027, task 254 14 [11315]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher145, task 1358 14 [95244]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher040, task 397 13 [21787]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher030, task 300 12 [126101]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher081, task 876 12 [31619]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher158, task 1548 12 [103353]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher181, task 1885 13 [96901]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher110, task 1119 15 [39074]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher073, task 780 12 [86201]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher012, task 109 13 [47830]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher028, task 268 12 [72209]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher061, task 652 12 [117813]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher074, task 797 13 [27853]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher085, task 942 14 [122903]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher156, task 1516 12 [121550]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher041, task 412 12 [127337]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher108, task 1085 13 [4353]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher038, task 364 12 [30182]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher186, task 1948 12 [96312]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher146, task 1373 13 [71850]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher143, task 1324 12 [7124]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher055, task 556 12 [67357]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher017, task 173 13 [91906]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher005, task 47 15 [5317]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher130, task 1151 15 [104456]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher166, task 1679 15 [40042]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher190, task 2015 15 [116061]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher177, task 1823 15 [63789]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher039, task 383 15 [52680]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher054, task 543 15 [124191]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher016, task 159 15 [115893]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher063, task 687 15 [101195]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher088, task 975 15 [112468]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher060, task 639 15 [50642]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher050, task 495 15 [10241]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher006, task 63 15 [60731]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher170, task 1743 15 [20546]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher178, task 1839 15 [24014]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher008, task 79 15 [42155]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher096, task 1039 15 [55851]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher064, task 703 15 [60054]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher139, task 1279 15 [123106]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher152, task 1471 15 [22989]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher071, task 751 15 [27986]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher058, task 607 15 [124175]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher013, task 127 15 [121338]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher004, task 31 15 [102597]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher082, task 895 15 [2379]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher176, task 1807 15 [107816]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher022, task 223 15 [57024]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher192, task 2047 15 [11564]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher052, task 511 15 [98893]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher136, task 1247 15 [48685]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher163, task 1631 15 [33473]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher180, task 1871 15 [17288]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher133, task 1199 15 [129800]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher140, task 1295 15 [65483]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher083, task 911 15 [25316]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher090, task 1007 15 [94665]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher049, task 479 15 [41632]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher109, task 1103 15 [19917]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher153, task 1487 15 [55595]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher169, task 1727 15 [25971]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher025, task 239 15 [109305]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher157, task 1535 15 [94934]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher185, task 1934 14 [98823]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher106, task 1070 14 [69245]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher148, task 1407 15 [117046]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher167, task 1694 14 [40735]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher092, task 1022 14 [23567]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher164, task 1646 14 [38575]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher175, task 1790 14 [122107]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher161, task 1598 14 [117396]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher037, task 350 14 [118395]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher043, task 446 14 [120759]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher191, task 2030 14 [2093]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher138, task 1262 14 [10904]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher021, task 206 14 [56069]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher155, task 1502 14 [77595]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher179, task 1854 14 [83036]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher149, task 1423 15 [103341]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher132, task 1182 14 [62553]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher171, task 1758 14 [66235]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher159, task 1566 14 [103911]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher031, task 318 14 [90974]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher182, task 1902 14 [77748]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher048, task 462 14 [26701]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher162, task 1614 14 [17724]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher079, task 846 14 [30760]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher129, task 1134 14 [42572]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher089, task 991 15 [121527]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher080, task 862 14 [87843]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher150, task 1439 15 [129049]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher098, task 1055 15 [3465]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher144, task 1342 14 [41018]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher172, task 1774 14 [86487]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher187, task 1966 14 [21441]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher015, task 142 14 [87352]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher160, task 1582 14 [5407]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher053, task 526 14 [80770]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher042, task 430 14 [8307]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher029, task 286 14 [114260]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher070, task 733 13 [60217]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher134, task 1213 13 [43624]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher027, task 255 15 [11316]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher145, task 1359 15 [95245]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher040, task 398 14 [21788]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher030, task 301 13 [126102]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher081, task 877 13 [31620]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher158, task 1549 13 [103354]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher181, task 1886 14 [96902]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher073, task 781 13 [86202]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher012, task 110 14 [47831]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher028, task 269 13 [72210]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher061, task 653 13 [117814]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher074, task 798 14 [27854]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher085, task 943 15 [122904]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher156, task 1517 13 [121551]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher041, task 413 13 [127338]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher108, task 1086 14 [4354]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher038, task 365 13 [30183]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher186, task 1949 13 [96313]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher146, task 1374 14 [71851]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher143, task 1325 13 [7125]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher055, task 557 13 [67358]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher017, task 174 14 [91907]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher185, task 1935 15 [98824]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher106, task 1071 15 [69246]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher167, task 1695 15 [40736]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher092, task 1023 15 [23568]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher164, task 1647 15 [38576]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher175, task 1791 15 [122108]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher161, task 1599 15 [117397]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher037, task 351 15 [118396]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher043, task 447 15 [120760]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher191, task 2031 15 [2094]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher138, task 1263 15 [10905]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher021, task 207 15 [56070]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher155, task 1503 15 [77596]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher179, task 1855 15 [83037]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher132, task 1183 15 [62554]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher171, task 1759 15 [66236]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher159, task 1567 15 [103912]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher031, task 319 15 [90975]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher182, task 1903 15 [77749]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher048, task 463 15 [26702]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher162, task 1615 15 [17725]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher079, task 847 15 [30761]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher129, task 1135 15 [42573]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher080, task 863 15 [87844]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher144, task 1343 15 [41019]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher172, task 1775 15 [86488]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher187, task 1967 15 [21442]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher015, task 143 15 [87353]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher160, task 1583 15 [5408]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher053, task 527 15 [80771]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher042, task 431 15 [8308]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher029, task 287 15 [114261]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher070, task 734 14 [60218]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher134, task 1214 14 [43625]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher040, task 399 15 [21789]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher030, task 302 14 [126103]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher081, task 878 14 [31621]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher158, task 1550 14 [103355]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher181, task 1887 15 [96903]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher073, task 782 14 [86203]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher012, task 111 15 [47832]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher028, task 270 14 [72211]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher061, task 654 14 [117815]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher074, task 799 15 [27855]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher156, task 1518 14 [121552]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher041, task 414 14 [127339]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher108, task 1087 15 [4355]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher038, task 366 14 [30184]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher186, task 1950 14 [96314]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher146, task 1375 15 [71852]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher143, task 1326 14 [7126]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher055, task 558 14 [67359]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher017, task 175 15 [91908]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher070, task 735 15 [60219]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher134, task 1215 15 [43626]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher030, task 303 15 [126104]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher081, task 879 15 [31622]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher158, task 1551 15 [103356]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher073, task 783 15 [86204]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher028, task 271 15 [72212]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher061, task 655 15 [117816]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher156, task 1519 15 [121553]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher041, task 415 15 [127340]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher038, task 367 15 [30185]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher186, task 1951 15 [96315]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher143, task 1327 15 [7127]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher055, task 559 15 [67360]: mask 0x70000000000000007000000000000000 set
*******************************************************
* *
* GAMESS VERSION = 30 JUN 2023 (R1) *
* *
* doi.org/10.1063/5.0005188 *
* *
**************** 64 BIT LINUX VERSION *****************
GAMESS HAS BEEN MADE POSSIBLE WITH IMPORTANT CONTRIBUTIONS FROM
THE FOLLOWING INDIVIDUALS (IN ALPHABETICAL ORDER):
IVANA ADAMOVIC, CHRISTINE AIKENS, TOMOKO AKAMA,
MELISA ALKAN, YURI ALEXEEV, YURIKO AOKI, POOJA ARORA,
TOSHIO ASADA, ANDREY ASADCHEV, KIM K. BALDRIDGE,
PRADIPTA BANDYOPADHYAY, TAYLOR A. BARNES, MARIA BARYSZ,
ROB BELL, JONATHAN BENTZ, COLLEEN BERTONI,
JERRY A. BOATZ, BRETT BODE, KURT BRORSEN, KURT R. BRORSEN,
LAIMUTIS BYTAUTAS, CALEB CARLIN, LAURA CARRINGTON,
GALINA CHABAN, BENOIT CHAMPAGNE, WEI CHEN, MAHITO CHIBA,
DAN CHIPMAN, CHEOL HO CHOI, TANNER CULPITT,
DIPAYAN DATTA, PAUL DAY, ALBERT DEFUSCO,
NUWAN DESILVA, J. EMILIANO DEUSTUA,
TIM DUDLEY, MICHEL DUPUIS, STEVEN T. ELBERT,
DMITRI FEDOROV, KATHERINE FERRERAS, MICHAEL FILATOV,
ALEX FINDLATER,GRAHAM FLETCHER, MARK FREITAG,
CHRISTIAN FRIEDL, DAVID GARMER,
IGOR S. GERASIMOV, KURT GLAESEMANN,
MARK S. GORDON, JEFFREY R. GOUR, FENG LONG GU,
EMILIE B. GUIDEZ, ANASTASIA GUNINA, SHARON HAMMES-SCHIFFER,
MASATAKE HARUTA, KIMIHIKO HIRAO, YASUHIRO IKABATA,
TZVETELIN IORDANOV, STEPHAN IRLE, KAZUYA ISHIMURA,
JOE IVANIC, FRANK JENSEN, JAN H. JENSEN, VISVALDAS KAIRYS,
MUNEAKI KAMIYA, MICHIO KATOUDA, NAOAKI KAWAKAMI, DAN KEMP,
BERNARD KIRTMAN, KAZUO KITAURA, MARIUSZ KLOBUKOWSKI,
MASATO KOBAYASHI, KONSTANTIN KOMAROV, PRAKASHAN KORAMBATH,
JACEK KORCHOWIEC, SHIRO KOSEKI, KAROL KOWALSKI,
JIMMY KROMANN, STANISLAW A. KUCHARSKI, HENRY KURTZ,
SAROM SOK LEANG, SEUNGHOON LEE, HUI LI, SHUHUA LI, WEI LI,
JESSE J. LUTZ, ALEKSANDR O. LYKHIN,
ILIAS MAGOULAS, MARCIN MAKOWSKI,
JOANI MATO, NIKITA MATSUNAGA, BENEDETTA MENNUCCI,
GRANT MERRILL, NORIYUKI MINEZAWA, VLADIMIR MIRONOV,
EISAKU MIYOSHI, JOHN A. MONTGOMERY JR., HIROTOSHI MORI,
JONATHAN MULLIN, MONIKA MUSIAL, SHIGERU NAGASE,
TAKESHI NAGATA, HIROMI NAKAI, TAKAHITO NAKAJIMA,
YUYA NAKAJIMA, HARUYUKI NAKANO, HIROYA NAKATA, SEAN NEDD,
HEATHER NETZLOFF, KIET A. NGUYEN, YOSHIO NISHIMOTO,
BOSILJKA NJEGIC, RYAN OLSON, MIKE PAK, ROBERTO PEVERATI,
BUU PHAM, PIOTR PIECUCH, ANNA POMOGAEVA, DAVID POOLE,
SPENCER PRUITT, OLIVIER QUINET, LUKE ROSKOP,
KLAUS RUEDENBERG, ANDREW SAND, TOSAPORN SATTASATHUCHANA,
NOZOMI SAWADA, MICHAEL W. SCHMIDT, PATRICK E. SCHNEIDER,
JUNJI SEINO, PRACHI SHARMA, JUN SHEN, JIM SHOEMAKER,
YINAN SHU, DEJUN SI, JONATHAN SKONE, LYUDMILA SLIPCHENKO,
TONY SMITH, JIE SONG, MARK SPACKMAN, CASPER STEINMANN,
WALT STEVENS, PEIFENG SU, SHUJUN SU, CHET SWALINA,
CHINAMI TAKASHIMA, TETSUYA TAKETSUGU, ZHEN TAO,
NANDUN THELLAMUREGE, SEIKEN TOKURA, JACOPO TOMASI,
TSUGUKI TOUMA, TAKAO TSUNEDA, HIROAKI UMEDA,
JORGE LUIS GALVEZ VALLEJO, YALI WANG, SIMON WEBB,
AARON WEST, THERESA L. WINDUS, MARTA WLOCH,
PENG XU, KIYOSHI YAGI, SUSUMU YANAGISAWA, YANG YANG,
SOOHAENG YOO, TAKESHI YOSHIKAWA, FEDERICO ZAHARIEV,
TOBY ZENG
WHO ARE SUPPORTED BY THEIR INSTITUTION/UNIVERSITY/COMPANY/GROUP
(IN ALPHABETICAL ORDER):
EP ANALYTICS,
FACULTES UNIVERSITAIRES NOTRE-DAME DE LA PAIX,
INSTITUTE FOR MOLECULAR SCIENCE, IOWA STATE UNIVERSITY,
JACKSON STATE UNIVERSITY, JOHANNES KEPLER UNIVERSITY LINZ,
KYUNGPOOK NATIONAL UNIVERSITY
KYUSHU UNIVERSITY, MICHIGAN STATE UNIVERSITY,
MIE UNIVERSITY, THE MOLECULAR SCIENCES SOFTWARE INSTITUTE,
MOSCOW STATE UNIVERSITY,
N. COPERNICUS UNIVERSITY, NAGOYA UNIVERSITY,
NANJING UNIVERSITY, NAT. INST. OF ADVANCED INDUSTRIAL
SCIENCE AND TECHNOLOGY, NATIONAL INST. OF STANDARDS AND
TECHNOLOGY, NESMEYANOV INSTITUTE OF ORGANOELEMENT COMPOUNDS
OF RUSSIAN ACADEMY OF SCIENCES, OSAKA PREFECTURE UNIVERSITY,
PENNSYLVANIA STATE UNIVERSITY, TOKYO INSTITUTE OF TECHNOLOGY,
UNIVERSITY OF AARHUS, UNIVERSITY OF ALBERTA,
UNIVERSITY OF CALIFORNIA AT SANTA BARBARA,
UNIVERSITY OF COPENHAGEN, UNIVERSITY OF IOWA,
UNIVERSITY OF MEMPHIS, UNIVERSITY OF MINNESOTA,
UNIVERSITY OF NEBRASKA, UNIVERSITY OF NEW ENGLAND,
UNIVERSITY OF NOTRE DAME, UNIVERSITY OF PISA,
UNIVERSITY OF SILESIA, UNIVERSITY OF TOKYO,
UNIVERSITY OF ZURICH, WASEDA UNIVERSITY,
YALE UNIVERSITY
GAMESS SOFTWARE MANAGEMENT TEAM FOR THIS RELEASE:
MARK S. GORDON (TEAM LEAD),
BRETT BODE (SENIOR ADVISOR),
GIUSEPPE BARCA,
COLLEEN BERTONI,
KRISTOPHER KEIPERT (ADVISOR),
SAROM S. LEANG (DEVELOPMENT LEAD),
BUU PHAM,
JACKSON HAYES (WEBSITE ADMINISTRATOR),
PENG XU
PARALLEL VERSION RUNNING ON 1024 PROCESSORS IN 128 NODES.
EXECUTION OF GAMESS BEGUN 23:43:06 03-AUG-2023
ECHO OF THE FIRST FEW INPUT CARDS -
INPUT CARD> $MP2 code=gpurimp2 $END
INPUT CARD> $AUXBAS cabnam=ccd $END
INPUT CARD> $offload rhf=.t. makefp=.t. $end
INPUT CARD>! Change NGROUP to reflect number of nodes you are running on
INPUT CARD> $GDDI BALTYP=DLB NGROUP=128 $END
INPUT CARD>! Change 1st and 2nd entry of NGRFMO(1) to reflect number of nodes you
INPUT CARD>! are running on
INPUT CARD> $SCF DIRSCF=.TRUE. DAMP=.TRUE. SHIFT=.TRUE. NPUNCH=0 $END
INPUT CARD> $SYSTEM MWORDS=3000 MEMDDI=300000 $END
INPUT CARD> $LOCAL CVGLOC=1.0E-6 FCORE=.TRUE. $END
INPUT CARD>! Threaded integrals
INPUT CARD> $INTGRL INTOMP=1 $END
INPUT CARD> $CONTRL SCFTYP=RHF RUNTYP=ENERGY NPRINT=-5
INPUT CARD> MPLEVL=2 ISPHER=1
INPUT CARD> LOCAL=RUEDNBRG MAXIT=50 $END
INPUT CARD> $FMO
INPUT CARD> NBODY=2
INPUT CARD> IEFMO=1
INPUT CARD> RESDIM=2
INPUT CARD>! UNCOMMENT THE LINE BELOW FOR POST-HF RUNS
INPUT CARD> RCORSD=2
INPUT CARD> MODEFM(1)=0, 16, 1, 1, 1
INPUT CARD> RAFO(1)=.1, 1, 1
INPUT CARD> MAXCAO=9
INPUT CARD> MAXBND=30
INPUT CARD> NLAYER=1
INPUT CARD> NFRAG=158
INPUT CARD> ICHARG(1)=
INPUT CARD> 0, 0, 0, 0, 0
INPUT CARD> FRGNAM(1)=
INPUT CARD> Msn1Fn1, Msn2, Msn3, Msn4,
INPUT CARD> Msn5
INPUT CARD> INDAT(1)=0
INPUT CARD> 1 -66, 305 -311 0
INPUT CARD> 67 -117 0
INPUT CARD> 118 -180 0
INPUT CARD> 181 -240 0
INPUT CARD> 241 -297, 298 -304, 312 -318 0
INPUT CARD>!insert
INPUT CARD> 319 -408 0
INPUT CARD> 409 -498 0
INPUT CARD> 499 -588 0
INPUT CARD> 589 -678 0
INPUT CARD> 679 -768 0
INPUT CARD> 769 -858 0
INPUT CARD> 859 -948 0
INPUT CARD> 949 -1038 0
INPUT CARD> 1039 -1128 0
INPUT CARD> 1129 -1218 0
INPUT CARD> 1219 -1308 0
-------------------------------------------------------------
GROUP DDI, PROGRAMMED BY: RYAN M. OLSON AND DMITRI G. FEDOROV
FEDOROV ET AL., J. COMPUT. CHEM., 25 (2004) 872.
-------------------------------------------------------------
---------------------------------------------------------
GDDI: INITIALIZATION COMPLETED FOR GROUP 1 OF 128
WITH 8 PROCESSES BALTYP=DLB GLOBAL RANK= 0
---------------------------------------------------------
3000000000 WORDS OF MEMORY AVAILABLE
RUN TITLE
---------
EFMO 6 fragment MSN single pore model
THE POINT GROUP OF THE MOLECULE IS C1
THE ORDER OF THE PRINCIPAL AXIS IS 0
ATOM ATOMIC CHARGE
O.1-1 8.0
C.1-1 6.0
SI.1-1 14.0
N.1-1 7.0
H.1-1 1.0
ATOMIC BASIS SET LIBRARY
----------------
THE CONTRACTED PRIMITIVE FUNCTIONS HAVE BEEN UNNORMALIZED
THE CONTRACTED BASIS FUNCTIONS ARE NOW NORMALIZED TO UNITY
SHELL TYPE PRIMITIVE EXPONENT CONTRACTION COEFFICIENT(S)
O.1-1
1 S 1 5484.6716600 0.001831074430
1 S 2 825.2349460 0.013950172200
1 S 3 188.0469580 0.068445078098
1 S 4 52.9645000 0.232714335992
1 S 5 16.8975704 0.470192897984
1 S 6 5.7996353 0.358520852987
2 L 7 15.5396162 -0.110777549525 0.070874268231
2 L 8 3.5999336 -0.148026262701 0.339752839147
2 L 9 1.0137618 1.130767015354 0.727158577316
3 L 10 0.2700058 1.000000000000 1.000000000000
C.1-1
4 S 11 3047.5248800 0.001834737132
4 S 12 457.3695180 0.014037322813
4 S 13 103.9486850 0.068842622264
4 S 14 29.2101553 0.232184443216
4 S 15 9.2866630 0.467941348435
4 S 16 3.1639270 0.362311985337
5 L 17 7.8682723 -0.119332419775 0.068999066591
5 L 18 1.8812885 -0.160854151696 0.316423960957
5 L 19 0.5442493 1.143456437840 0.744308290898
6 L 20 0.1687145 1.000000000000 1.000000000000
SI.1-1
7 S 21 16192.1000000 0.001949239405
7 S 22 2436.0900000 0.014855895466
7 S 23 556.0010000 0.072568877851
7 S 24 156.8130000 0.245654925022
7 S 25 50.1692000 0.486059851646
7 S 26 17.0300000 0.325719900585
8 L 27 293.3500000 -0.002829912441 0.004433341604
8 L 28 70.1173000 -0.036073731114 0.032440211739
8 L 29 22.4301000 -0.116808100749 0.133719048387
8 L 30 8.1942500 0.093576880711 0.326780118247
8 L 31 3.1476800 0.601705518979 0.451139163247
8 L 32 1.2151500 0.422072364043 0.264105095568
9 L 33 1.6537000 -0.240599186106 -0.015177406538
9 L 34 0.5407600 0.073795050368 0.275139118516
9 L 35 0.2044060 1.040936478740 0.783008337279
10 L 36 0.0723837 1.000000000000 1.000000000000
N.1-1
11 S 37 4173.5114600 0.001834772160
11 S 38 627.4579110 0.013994627002
11 S 39 142.9020930 0.068586551812
11 S 40 40.2343293 0.232240873040
11 S 41 12.8202129 0.469069948082
11 S 42 4.3904370 0.360455199063
12 L 43 11.6263619 -0.114961181702 0.067579743878
12 L 44 2.7162798 -0.169117478561 0.323907295893
12 L 45 0.7722184 1.145851947027 0.740895139755
13 L 46 0.2120315 1.000000000000 1.000000000000
H.1-1
14 S 47 18.7311370 0.033494604338
14 S 48 2.8253944 0.234726953484
14 S 49 0.6401217 0.813757326146
15 S 50 0.1612778 1.000000000000
TOTAL NUMBER OF BASIS SET SHELLS = 15
NUMBER OF CARTESIAN GAUSSIAN BASIS FUNCTIONS = 42
SELECTED MURRAY-HANDY-LAMING RADIAL GRID
LEGACY BECKE'S FUZZY CELL METHOD
SELECTED ORIGINAL BECKE'S PARTITION FUNCTION
$CONTRL OPTIONS
---------------
SCFTYP=RHF RUNTYP=ENERGY EXETYP=RUN
MPLEVL= 2 CITYP =NONE CCTYP =NONE VBTYP =NONE
DFTTYP=NONE TDDFT =NONE
MULT = 1 ICHARG= 0 NZVAR = 0 COORD =UNIQUE
PP =NONE RELWFN=NONE LOCAL =RUEDNBRG NUMGRD= F
ISPHER= 1 NOSYM = 0 MAXIT = 50 UNITS =ANGS
PLTORB= F MOLPLT= F AIMPAC= F FRIEND=
NPRINT= -5 IREST = 0 GEOM =INPUT
NORMF = 0 NORMP = 0 ITOL = 24 ICUT = 12
INTTYP=BEST GRDTYP=BEST QMTTOL= 1.0E-06
$SYSTEM OPTIONS
---------------
REPLICATED MEMORY= 3000000000 WORDS (ON EVERY NODE).
DISTRIBUTED MEMDDI= 300000 MILLION WORDS IN AGGREGATE,
MEMDDI DISTRIBUTED OVER 8 PROCESSORS IS 292968750 WORDS/PROCESSOR.
TOTAL MEMORY REQUESTED ON EACH PROCESSOR= 3292968750 WORDS.
TIMLIM= 525600.00 MINUTES, OR 365.0 DAYS.
PARALL= T BALTYP= DLB KDIAG= 0 COREFL= F
MXSEQ2= 300 MXSEQ3= 150 mem10= 0 mem22= 0
High-tech $SYSTEM options in MODIO: 1
( 1) file flushing: no
( 2) recycle dictionary: no
( 4) skip timing summary: no
( 8) save DFT grid file: yes
( 16) reduce output: no
( 32) slaves open F15: yes
( 64) in-memory F15: no
( 128) parallelize EVVRSP: yes
( 256) reduce timing output: no
( 512) use XYZ file: no
( 1024) supershort output: no
( 2048) superfast calculation:no
----------------
PROPERTIES INPUT
----------------
MOMENTS FIELD POTENTIAL DENSITY
IEMOM = 1 IEFLD = 0 IEPOT = 0 IEDEN = 0
WHERE =COMASS WHERE =NUCLEI WHERE =NUCLEI WHERE =NUCLEI
OUTPUT=BOTH OUTPUT=BOTH OUTPUT=NONE OUTPUT=BOTH
IEMINT= 0 IEFINT= 0 IEDINT= 0
MORB = 0
EXTRAPOLATION IN EFFECT
DAMPING IN EFFECT
LEVEL SHIFTING IN EFFECT
SOSCF IN EFFECT
ORBITAL PRINTING OPTION: NPREO= 1 32767 2 1
----------------------
TARGET OFFLOAD OPTIONS
----------------------
RHF = T
CPHF = T
MAKEFP = T
-------------------------------
INTEGRAL TRANSFORMATION OPTIONS
-------------------------------
NWORD = 0
CUTTRF = 1.0E-10 MPTRAN = 0
DIRTRF = T AOINTS =DUP
-----------------------------
LOCALIZATION INPUT PARAMETERS
-----------------------------
LOCAL=RUEDNBRG NOUTA= 8
PRTLOC= F NOUTB= 0
MAXLOC= 1000 CVGLOC=1.00E-06
FCORE= T SYMLOC= F
MOIDON= F EDCOMP= F
DIPDCM= F NPROT= 0
QADDCM= F DEPRNT= F
POLNUM= F ORIENT= F
POLDYN= F VMTOL=1.50E-01
NPRDTL= 2 IBOYAL= 1
EXTLOC=NONE IVVTYP= 0
PADSVD= F
MOOUTA = 1 2 3 4 5 6 7 8
--------------
OPENMP OPTIONS
--------------
INTOMP = 1
SHFOCK = F
THREADED 2-ELECTRON INTEGRAL CODE WILL BE USED
NUMBER OF OPENMP THREADS: 6
2E INTS ALGORITHM: MPI(I) + OPENMP(JK)
PRIVATE FOCK MATRIX CODE WILL BE USED
----------------------
INTEGRAL INPUT OPTIONS
----------------------
NOPK = 1 NORDER= 0 SCHWRZ= T
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 8 NBCORE = 8
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 8
NUMBER OF CORE -B- ORBITALS = 8
NUMBER OF OCC. -A- ORBITALS = 18
NUMBER OF OCC. -B- ORBITALS = 18
NUMBER OF MOLECULAR ORBITALS = 42
NUMBER OF BASIS FUNCTIONS = 42
..... DONE SETTING UP THE RUN .....
CPU 0: STEP CPU TIME= 0.54 TOTAL CPU TIME= 0.5 ( 0.0 MIN)
TOTAL WALL CLOCK TIME= 1.1 SECONDS, CPU UTILIZATION IS 51.14%
CPU 0: STEP CPU TIME= 0.08 TOTAL CPU TIME= 0.6 ( 0.0 MIN)
TOTAL WALL CLOCK TIME= 1.3 SECONDS, CPU UTILIZATION IS 47.43%
----------------------
AO INTEGRAL TECHNOLOGY
----------------------
S,P,L SHELL ROTATED AXIS INTEGRALS, REPROGRAMMED BY
KAZUYA ISHIMURA (IMS) AND JOSE SIERRA (SYNSTAR).
S,P,D,L SHELL ROTATED AXIS INTEGRALS PROGRAMMED BY
KAZUYA ISHIMURA (INSTITUTE FOR MOLECULAR SCIENCE).
S,P,D,F,G SHELL TO TOTAL QUARTET ANGULAR MOMENTUM SUM 5,
ERIC PROGRAM BY GRAHAM FLETCHER (ELORET AND NASA ADVANCED
SUPERCOMPUTING DIVISION, AMES RESEARCH CENTER).
S,P,D,F,G,L SHELL GENERAL RYS QUADRATURE PROGRAMMED BY
MICHEL DUPUIS (PACIFIC NORTHWEST NATIONAL LABORATORY).
FMO/AFO does not work with correlated wave functions.
CPU 0: STEP CPU TIME= 0.26 TOTAL CPU TIME= 0.9 ( 0.0 MIN)
TOTAL WALL CLOCK TIME= 1.6 SECONDS, CPU UTILIZATION IS 55.23%
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 0.9 ( 0.0 MIN)
TOTAL WALL CLOCK TIME= 1.6 SECONDS, CPU UTILIZATION IS 55.23%
Initialising fragments
CPU 0: STEP CPU TIME= 0.03 TOTAL CPU TIME= 0.9 ( 0.0 MIN)
TOTAL WALL CLOCK TIME= 1.6 SECONDS, CPU UTILIZATION IS 56.13%
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 0.9 ( 0.0 MIN)
TOTAL WALL CLOCK TIME= 1.6 SECONDS, CPU UTILIZATION IS 56.13%
-----------------------------------------------------------------------
The Fragment Molecular Orbital (FMO) method.
Version 5.5
Contributors: N. Asada, K. R. Brorsen, M. Chiba, C. Choi, D. G. Fedorov,
D. S. Kaliakin, N. Minezawa, V. Mironov, T. Nagata, H. Nakata, Y. Nishimoto,
S. R. Pruitt, C. Steinmann, and F. Zahariev.
All publications using the FMO method in GAMESS should cite:
D. G. Fedorov, K. Kitaura, J. Chem. Phys. 120, 6832 (2004).
-----------------------------------------------------------------------
Used memory (words): 12712617
Number of fragments: 158
Number of layers: 1
N-body FMO method: 2
Number of atoms: 14109
Total charge: 0
Total spin multiplicity: 1
Number of basis sets: 1
Number of LMO types: 0
Number of boundaries: 28
MonomerSCF convergence: 0.1000E-06
Max monomerSCF iter: 30
MonomerSCF criterion: internal
Max AOs per n-mer: 667 1270
Projection operator constant: 0.10E+07
Layer electron correlation information
nbody= 2
SCFTYP=RHF
MPLEVL= 2
DFTTYP=NONE
CITYP=NONE
CCTYP=NONE
TDDFT=NONE
FMO method: EFMO2-RMP2
Bond fragmentation scheme: AFO0
One AFO per bond frozen.
Weak localisation.
Using partial Mulliken localization criterion.
FMO approximations.
Using point charge approximation for the 2e ESP with the VdW factor 2.00
Using ES-dimer approximation with the VdW factor 2.00
No dynamic correlation for dimers with the VdW factor 2.00
No gradient contribution from separated dimers.
The uniform distances will be used in ESPs.
Van der Waals radii in Angstrom are:
R(O )= 1.4000
R(SI )= 1.1700
R(H )= 1.2000
FMO initial guess options.
Using monomer density to form n-mer guess.
Use 1-mer Aufbau for initial n-mer orbitals.
FMO extensions.
Point charge screening parameters: 0.1000 0.1000
FMO automation options.
FMO SCF converger options.
SCF convergers:
839 839 839 839 839 839 839 839 839 839
Fragment densities will be exchanged.
FMO parallelisation options.
Smart parallel load balancing: large jobs first.
ESPs will be shell parallelised.
Broadcast all fragments at once.
Do the fragment initialisation in the reverse order.
FMO properties and print-out level.
Interfragment CT method: 4
Compact print-out level.
Array dimensions maxbnd,maxknd,maxcbs,maxcao,maxbbd,maxnat are:
30 10 13 9 13 111
--------------------------------------------------
----------------------------------------------------------------------
THIS IS AN EFFECTIVE FRAGMENT MOLECULAR ORBITAL (EFMO) RUN.
USING EFP MODELS FOR MANY-BODY INTERACTIONS.
ALL PUBLICATIONS USING EFMO SHOULD REFERENCE:
C. STEINMANN, D.G. FEDOROV, J.H. JENSEN, J. CHEM. PHYS. A 114, 8705 (2010)
EFMO STORAGE REQUIRES1056153689 WORDS.
EFP Electrostatic Options
No screening of electrostaic moments
Tang-Toennis style screening 0.1000 0.1000
Ignore torque contribution on gradient
Multipole expansion on atoms only
EFP Polarization Options
Use CPHF alpha-polarizability tensors
EFP Dispersion Options
Dispersion interaction for separated pairs
Distribute gradient by percentage between close atoms
Ignore torque contribution on gradient
EFP Charge Transfer Options
Charge Transfer interaction for separated pairs
EFP Exchange Repulsion Options
Exchange Repulsion interaction for separated pairs
----------------------------------------------------------------------
Starting layer 1 nbody=2
SCFTYP=RHF MPLEVL=2 DFTTYP=NONE CITYP=NONE CCTYP=NONE TDDFT=NONE
Running initial guess for monomer 158
-------------
GUESS OPTIONS
-------------
GUESS =HUCKEL NORB = 0 NORDER= 0
MIX = F PRTMO = F PUNMO = F
TOLZ = 1.0E-08 TOLE = 1.0E-05
SYMDEN= F PURIFY= F
INITIAL GUESS ORBITALS GENERATED BY HUCKEL ROUTINE.
HUCKEL GUESS REQUIRES 2025753 WORDS.
SYMMETRIES FOR INITIAL GUESS ORBITALS FOLLOW. BOTH SET(S).
185 ORBITALS ARE OCCUPIED ( 37 CORE ORBITALS).
38=A 39=A 40=A 41=A 42=A 43=A 44=A
45=A 46=A 47=A 48=A 49=A 50=A 51=A
52=A 53=A 54=A 55=A 56=A 57=A 58=A
59=A 60=A 61=A 62=A 63=A 64=A 65=A
66=A 67=A 68=A 69=A 70=A 71=A 72=A
73=A 74=A 75=A 76=A 77=A 78=A 79=A
80=A 81=A 82=A 83=A 84=A 85=A 86=A
87=A 88=A 89=A 90=A 91=A 92=A 93=A
94=A 95=A 96=A 97=A 98=A 99=A 100=A
101=A 102=A 103=A 104=A 105=A 106=A 107=A
108=A 109=A 110=A 111=A 112=A 113=A 114=A
115=A 116=A 117=A 118=A 119=A 120=A 121=A
122=A 123=A 124=A 125=A 126=A 127=A 128=A
129=A 130=A 131=A 132=A 133=A 134=A 135=A
136=A 137=A 138=A 139=A 140=A 141=A 142=A
143=A 144=A 145=A 146=A 147=A 148=A 149=A
150=A 151=A 152=A 153=A 154=A 155=A 156=A
157=A 158=A 159=A 160=A 161=A 162=A 163=A
164=A 165=A 166=A 167=A 168=A 169=A 170=A
171=A 172=A 173=A 174=A 175=A 176=A 177=A
178=A 179=A 180=A 181=A 182=A 183=A 184=A
185=A 186=A 187=A 188=A 189=A 190=A 191=A
192=A 193=A 194=A 195=A
...... END OF INITIAL ORBITAL SELECTION ......
CPU 0: STEP CPU TIME= 2.39 TOTAL CPU TIME= 3.3 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 5.4 SECONDS, CPU UTILIZATION IS 61.80%
There are 390 separated and 12013 SCF ( 12013 correlated) dimers.
Estimate of max dimer size: 1270 AOs, 540 occ. MOs
Fragment statistics
I NAME Q NAT0 NGA NA NAO NMO L MUL SCFTYP NOP MOL CONV
===============================================================================
1 MSN1FN1 0 73 0 250 552 552 1 1 G RHF 0 -1 -1
2 MSN2 0 51 10 205 563 563 1 1 G RHF 0 -1 -1
3 MSN3 0 63 4 235 563 563 1 1 G RHF 0 -1 -1
4 MSN4 0 60 7 240 603 603 1 1 G RHF 0 -1 -1
5 MSN5 0 71 7 270 667 667 1 1 G RHF 0 -1 -1
6 frg00006 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
7 frg00007 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
8 frg00008 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
9 frg00009 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
10 frg00010 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
11 frg00011 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
12 frg00012 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
13 frg00013 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
14 frg00014 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
15 frg00015 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
16 frg00016 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
17 frg00017 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
18 frg00018 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
19 frg00019 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
20 frg00020 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
21 frg00021 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
22 frg00022 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
23 frg00023 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
24 frg00024 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
25 frg00025 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
26 frg00026 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
27 frg00027 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
28 frg00028 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
29 frg00029 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
30 frg00030 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
31 frg00031 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
32 frg00032 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
33 frg00033 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
34 frg00034 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
35 frg00035 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
36 frg00036 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
37 frg00037 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
38 frg00038 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
39 frg00039 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
40 frg00040 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
41 frg00041 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
42 frg00042 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
43 frg00043 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
44 frg00044 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
45 frg00045 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
46 frg00046 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
47 frg00047 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
48 frg00048 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
49 frg00049 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
50 frg00050 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
51 frg00051 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
52 frg00052 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
53 frg00053 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
54 frg00054 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
55 frg00055 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
56 frg00056 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
57 frg00057 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
58 frg00058 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
59 frg00059 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
60 frg00060 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
61 frg00061 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
62 frg00062 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
63 frg00063 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
64 frg00064 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
65 frg00065 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
66 frg00066 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
67 frg00067 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
68 frg00068 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
69 frg00069 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
70 frg00070 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
71 frg00071 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
72 frg00072 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
73 frg00073 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
74 frg00074 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
75 frg00075 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
76 frg00076 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
77 frg00077 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
78 frg00078 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
79 frg00079 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
80 frg00080 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
81 frg00081 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
82 frg00082 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
83 frg00083 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
84 frg00084 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
85 frg00085 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
86 frg00086 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
87 frg00087 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
88 frg00088 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
89 frg00089 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
90 frg00090 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
91 frg00091 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
92 frg00092 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
93 frg00093 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
94 frg00094 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
95 frg00095 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
96 frg00096 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
97 frg00097 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
98 frg00098 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
99 frg00099 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
100 frg00100 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
101 frg00101 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
102 frg00102 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
103 frg00103 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
104 frg00104 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
105 frg00105 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
106 frg00106 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
107 frg00107 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
108 frg00108 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
109 frg00109 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
110 frg00110 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
111 frg00111 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
112 frg00112 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
113 frg00113 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
114 frg00114 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
115 frg00115 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
116 frg00116 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
117 frg00117 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
118 frg00118 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
119 frg00119 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
120 frg00120 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
121 frg00121 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
122 frg00122 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
123 frg00123 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
124 frg00124 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
125 frg00125 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
126 frg00126 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
127 frg00127 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
128 frg00128 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
129 frg00129 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
130 frg00130 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
131 frg00131 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
132 frg00132 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
133 frg00133 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
134 frg00134 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
135 frg00135 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
136 frg00136 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
137 frg00137 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
138 frg00138 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
139 frg00139 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
140 frg00140 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
141 frg00141 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
142 frg00142 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
143 frg00143 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
144 frg00144 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
145 frg00145 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
146 frg00146 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
147 frg00147 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
148 frg00148 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
149 frg00149 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
150 frg00150 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
151 frg00151 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
152 frg00152 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
153 frg00153 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
154 frg00154 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
155 frg00155 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
156 frg00156 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
157 frg00157 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
158 frg00158 0 111 0 185 481 481 1 1 G RHF 0 -1 -1
Close fragment pairs, distance relative to vdW radii
Warning: frgs 2 1 are cross-linked( 1): bond 1 atoms 43 80
Warning: frgs 2 1 are cross-linked( 2): bond 2 atoms 44 81
Warning: frgs 2 1 are cross-linked( 3): bond 3 atoms 45 86
Warning: frgs 2 1 are cross-linked( 4): bond 4 atoms 46 87
Warning: frgs 2 1 are cross-linked( 5): bond 5 atoms 47 92
Warning: frgs 2 1 are cross-linked( 6): bond 6 atoms 48 93
Warning: frgs 2 1 are cross-linked( 7): bond 7 atoms 49 98
Warning: frgs 3 2 are cross-linked( 1): bond 8 atoms 75 120
Warning: frgs 3 2 are cross-linked( 2): bond 9 atoms 76 126
Warning: frgs 3 2 are cross-linked( 3): bond 10 atoms 77 134
Warning: frgs 3 2 are cross-linked( 4): bond 11 atoms 78 142
Warning: frgs 3 2 are cross-linked( 5): bond 12 atoms 151 84
Warning: frgs 3 2 are cross-linked( 6): bond 13 atoms 154 90
Warning: frgs 3 2 are cross-linked( 7): bond 14 atoms 158 96
Warning: frgs 4 3 are cross-linked( 1): bond 15 atoms 153 184
Warning: frgs 4 3 are cross-linked( 2): bond 16 atoms 156 193
Warning: frgs 4 3 are cross-linked( 3): bond 17 atoms 157 186
Warning: frgs 4 3 are cross-linked( 4): bond 18 atoms 160 202
Warning: frgs 4 3 are cross-linked( 5): bond 19 atoms 161 195
Warning: frgs 4 3 are cross-linked( 6): bond 20 atoms 163 204
Warning: frgs 4 3 are cross-linked( 7): bond 21 atoms 164 212
Warning: frgs 5 4 are cross-linked( 1): bond 22 atoms 214 242
Warning: frgs 5 4 are cross-linked( 2): bond 23 atoms 217 248
Warning: frgs 5 4 are cross-linked( 3): bond 24 atoms 218 250
Warning: frgs 5 4 are cross-linked( 4): bond 25 atoms 221 257
Warning: frgs 5 4 are cross-linked( 5): bond 26 atoms 222 259
Warning: frgs 5 4 are cross-linked( 6): bond 27 atoms 225 266
Warning: frgs 5 4 are cross-linked( 7): bond 28 atoms 226 268
CPU 0: STEP CPU TIME= 0.22 TOTAL CPU TIME= 3.5 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 5.9 SECONDS, CPU UTILIZATION IS 60.04%
dmexch needs 1798366 words of memory.
CPU 0: STEP CPU TIME= 3.00 TOTAL CPU TIME= 6.5 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 13.2 SECONDS, CPU UTILIZATION IS 49.30%
Data exchange of 12594342 words took 7.4 s.
call makelmo
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 6.5 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 13.2 SECONDS, CPU UTILIZATION IS 49.30%
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 6.5 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 13.2 SECONDS, CPU UTILIZATION IS 49.30%
Changing the thresholds:
CONV= 0.1E-06 0.1E-05 CUTTRF= 0.1E-09 0.1E-08 ITOL= 24 20 ICUT= 12 10
Acceleration options T, 2*F
Bond 1 : 4 caps added, 6 atoms total. Charge 0 , multiplicity 0 .
43 14.00000 -9.63613500 -13.18386700 9.94388800
80 8.00000 -10.06642200 -12.40345300 8.57887100
5 1.00000 -8.16516659 -13.34415699 9.97485653
30 1.00000 -10.26164705 -14.52436342 9.99083502
32 1.00000 -10.10210871 -12.40566141 11.11335991
101 1.00000 -10.78709783 -12.17948719 7.98551979
-------------
GUESS OPTIONS
-------------
GUESS =HUCKEL NORB = 0 NORDER= 0
MIX = F PRTMO = F PUNMO = F
TOLZ = 1.0E-08 TOLE = 1.0E-05
SYMDEN= F PURIFY= F
INITIAL GUESS ORBITALS GENERATED BY HUCKEL ROUTINE.
HUCKEL GUESS REQUIRES 12246 WORDS.
SYMMETRIES FOR INITIAL GUESS ORBITALS FOLLOW. BOTH SET(S).
13 ORBITALS ARE OCCUPIED ( 6 CORE ORBITALS).
7=A 8=A 9=A 10=A 11=A 12=A 13=A
14=A 15=A 16=A 17=A 18=A 19=A 20=A
21=A 22=A 23=A
...... END OF INITIAL ORBITAL SELECTION ......
CPU 0: STEP CPU TIME= 0.03 TOTAL CPU TIME= 6.6 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 14.2 SECONDS, CPU UTILIZATION IS 46.33%
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -365.7061429612 -365.7061429612 0.290822432 0.000000000 0.000000000 1.000000000 103417 0
---------------START SECOND ORDER SCF---------------
2 1 0 -366.0183199777 -0.3121770165 0.068600770 0.043238949 0.000000000 0.000000000 103417 0
3 2 0 -366.0349930027 -0.0166730251 0.038205626 0.018411536 0.000000000 0.000000000 103415 0
4 3 0 -366.0368741635 -0.0018811608 0.007525235 0.006993625 0.000000000 0.000000000 103410 0
5 4 0 -366.0371263163 -0.0002521528 0.001308364 0.000834276 0.000000000 0.000000000 103356 0
6 5 0 -366.0371366034 -0.0000102870 0.000625937 0.000240636 0.000000000 0.000000000 103212 0
7 6 0 -366.0371379350 -0.0000013316 0.000103118 0.000045517 0.000000000 0.000000000 103099 0
8 7 0 -366.0371379720 -0.0000000370 0.000071840 0.000017163 0.000000000 0.000000000 102931 0
9 8 0 -366.0371379799 -0.0000000079 0.000007128 0.000002984 0.000000000 0.000000000 102916 0
10 9 0 -366.0371379800 -0.0000000001 0.000003581 0.000000702 0.000000000 0.000000000 102439 0
11 10 0 -366.0371379800 -0.0000000000 0.000000438 0.000000135 0.000000000 0.000000000 102107 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 1.6 SECONDS ( 0.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.3, LAST ITERATION= 0.1
TIME TO SOLVE SCF EQUATIONS= 0.0 SECONDS ( 0.0 SEC/ITER)
FINAL RHF ENERGY IS -366.0371379800 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 1.56 TOTAL CPU TIME= 8.1 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 16.9 SECONDS, CPU UTILIZATION IS 48.00%
-----------------------------
LOCALIZATION INPUT PARAMETERS
-----------------------------
LOCAL=RUEDNBRG NOUTA= 6
PRTLOC= F NOUTB= 0
MAXLOC= 1000 CVGLOC=1.00E-06
FCORE= T SYMLOC= F
MOIDON= F EDCOMP= F
DIPDCM= F NPROT= 0
QADDCM= F DEPRNT= F
POLNUM= F ORIENT= F
POLDYN= F VMTOL=1.50E-01
NPRDTL= 2 IBOYAL= 1
EXTLOC=NONE IVVTYP= 0
PADSVD= F
MOOUTA = 1 2 3 4 5 6
---------------------------------------
EDMISTON-RUEDENBERG ENERGY LOCALIZATION
---------------------------------------
C.EDMISTON AND K.RUEDENBERG, REV.MOD.PHYS. 35, 457-465 (1963)
--------------------------------------------
PARTIAL TWO ELECTRON INTEGRAL TRANSFORMATION
--------------------------------------------
NUMBER OF CORE MOLECULAR ORBITALS = 6
NUMBER OF OCCUPIED MOLECULAR ORBITALS = 13
TOTAL NUMBER OF MOLECULAR ORBITALS = 30
TOTAL NUMBER OF ATOMIC ORBITALS = 30
THRESHOLD FOR KEEPING TRANSFORMED 2E- INTEGRALS = 1.000E-09
------------------------------- ------------------------------
DISTRIBUTED DATA TRANSFORMATION PROGRAM WRITTEN BY G. FLETCHER
------------------------------- ------------------------------
THE DISTRIBUTED MEMORY REQUIRED FOR THIS STEP IS MEMDDI= 1 MWORDS
CREATING DISTRIBUTED STORAGE FOR [OCC OCC|OCC OCC] INTEGRALS
CREATING WORKSPACE OF SIZE VVOO
FOR 8 PROCESSORS, THE REPLICATED MEMORY NEEDED IS 57581 WORDS.
DIRECT 4-INDEX TRANSFORMATION
SCHWARZ INEQUALITY TEST SKIPPED 338 INTEGRAL BLOCKS
... END OF INTEGRAL TRANSFORMATION ...
CPU 0: STEP CPU TIME= 0.02 TOTAL CPU TIME= 8.1 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 16.9 SECONDS, CPU UTILIZATION IS 48.06%
---------------------------------------
EDMISTON-RUEDENBERG ENERGY LOCALIZATION
---------------------------------------
C.EDMISTON AND K.RUEDENBERG, REV.MOD.PHYS. 35, 457-465 (1963)
THIS LOCALIZATION REQUIRES 3437 WORDS OF MEMORY.
THE ENERGY LOCALIZATION STEP RUNS IN SERIAL, BUT WILL USE WAVEFUNCTION
AND TRANSFORMED INTEGRAL INFORMATION PREVIOUSLY GENERATED IN PARALLEL MODE.
DESTROYING DDI ARRAY [ 0] CONTAINING [OO|OO] INTEGRALS
THIS LOCALIZATION HAS 13 ORBITALS, OF WHICH 6 ARE FROZEN.
INITIAL LOCALIZATION SUMS ARE
DIAGONAL SUM D= 3.1596667720
COULOMB SUM C= 19.5519395976
EXCHANGE SUM X= 5.6684511308
BEGINNING 2X2 JACOBI ROTATIONS...
20 PAIR ROTATIONS WHEN CONVERGED TO 1.00E-01
53 PAIR ROTATIONS WHEN CONVERGED TO 1.00E-02
104 PAIR ROTATIONS WHEN CONVERGED TO 1.00E-03
85 PAIR ROTATIONS WHEN CONVERGED TO 1.00E-04
101 PAIR ROTATIONS WHEN CONVERGED TO 1.00E-05
100 PAIR ROTATIONS WHEN CONVERGED TO 1.00E-06
463 TOTAL PAIR ROTATIONS REQUIRED TO CONVERGE TO 1.00E-06
FINAL LOCALIZATION SUMS ARE
DIAGONAL SUM D= 4.9879226007
COULOMB SUM C= 19.5519395976
EXCHANGE SUM X= 5.6684511308
FOCK OPERATOR FOR THE LOCALIZED ORBITALS IS
... DONE WITH ENERGY LOCALIZATION ...
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 8.1 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 16.9 SECONDS, CPU UTILIZATION IS 48.05%
Iteration 1: model system for bond 1 has E= -366.0371379800
Bond 1 : LMO 5 has overlap 1.000127
Bond 1 : LMO 6 has overlap 1.000111
Bond 1 : LMO 3 has overlap 1.000050
Bond 1 : LMO 1 has overlap 0.999957
Bond 1 : LMO 4 has overlap 0.999825
Bond 1 : LMO 12 has overlap 0.243070
Bond 1 : LMO 13 has overlap 0.233665
Bond 1 : LMO 9 has overlap 0.228688
Bond 1 : LMO 10 has overlap 0.047543
Bond 1 : the first discarded LMO 7 has overlap 0.012170
Bond 1 : LMO 10 is the detached bond orbital, overlap= 0.800929
Bond 1 : the closest to the detached bond LMO 13 has overlap 0.011856
The thresholds are restored.
CPU 0: STEP CPU TIME= 0.11 TOTAL CPU TIME= 8.2 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 17.2 SECONDS, CPU UTILIZATION IS 47.95%
Iteration 1: 1 bond AFO construction took 4.0 seconds.
call makelmo done 1.72
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 8.2 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 17.2 SECONDS, CPU UTILIZATION IS 47.95%
RHF monomer 5 corr= MP2 , L1= 667, L0= 667 ID= 1
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 110 NBCORE = 110
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 110
NUMBER OF CORE -B- ORBITALS = 110
NUMBER OF OCC. -A- ORBITALS = 270
NUMBER OF OCC. -B- ORBITALS = 270
NUMBER OF MOLECULAR ORBITALS = 667
NUMBER OF BASIS FUNCTIONS = 667
AO spaces for 5 0 0 n-mer: L1= 667, L0= 667
Preparing AFOs for this system...
There are 7 occupied and 56 virtual frozen LMOs.
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 1877342.9006966169***************** 0.454245709 0.000000000 0.000000000 1.000000000 3169308563 0
---------------START SECOND ORDER SCF---------------
2 1 0 -7047.5609635602***************** 0.074034389 0.046625880 0.000000000 0.000000000 3169308563 0
3 2 0 -7048.0582797530 -0.4973161927 0.039733655 0.008526441 0.000000000 0.000000000 3169210092 0
4 3 0 -7048.1013599700 -0.0430802170 0.015175222 0.003018690 0.000000000 0.000000000 3168726045 0
5 4 0 -7048.1074881933 -0.0061282234 0.002194642 0.000714473 0.000000000 0.000000000 3164676803 0
6 5 0 -7048.1076913369 -0.0002031436 0.000934287 0.000248963 0.000000000 0.000000000 3114058597 0
7 6 0 -7048.1077355374 -0.0000442004 0.000282612 0.000059686 0.000000000 0.000000000 3061102949 0
8 7 0 -7048.1077375275 -0.0000019901 0.000087599 0.000032748 0.000000000 0.000000000 2953018812 0
9 8 0 -7048.1077378780 -0.0000003505 0.000040199 0.000005537 0.000000000 0.000000000 2817769889 0
10 9 0 -7048.1077379061 -0.0000000281 0.000021301 0.000002042 0.000000000 0.000000000 2718931432 0
11 10 0 -7048.1077379124 -0.0000000064 0.000004060 0.000000613 0.000000000 0.000000000 2634173064 0
12 11 0 -7048.1077379116 0.0000000008 0.000001131 0.000000263 0.000000000 0.000000000 2411090822 0
13 12 0 -7048.1077379094 0.0000000022 0.000000259 0.000000063 0.000000000 0.000000000 2243354549 0
14 13 0 -7048.1077379088 0.0000000006 0.000000147 0.000000025 0.000000000 0.000000000 2054077461 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 69.6 SECONDS ( 5.0 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 4.5
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.0 SEC/ITER)
FINAL RHF ENERGY IS -7048.1077379088 AFTER 14 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 70.77 TOTAL CPU TIME= 79.0 ( 1.3 MIN)
TOTAL WALL CLOCK TIME= 88.8 SECONDS, CPU UTILIZATION IS 88.94%
--------------------------------------------------
GENERATING EFMO PARAMETERS FOR FMO MONOMER # 5
--------------------------------------------------
FREEZING EXTRA ORBITALS IN EFMO MONOMER LOCALIZATION.
ORBITAL 605 HAS BEEN FROZEN.
ORBITAL 606 HAS BEEN FROZEN.
ORBITAL 607 HAS BEEN FROZEN.
ORBITAL 608 HAS BEEN FROZEN.
ORBITAL 609 HAS BEEN FROZEN.
ORBITAL 610 HAS BEEN FROZEN.
ORBITAL 611 HAS BEEN FROZEN.
-----------------------------
LOCALIZATION INPUT PARAMETERS
-----------------------------
LOCAL=BOYS NOUTA= 117
PRTLOC= F NOUTB= 0
MAXLOC= 1000 CVGLOC=1.00E-06
FCORE= T SYMLOC= F
MOIDON= F EDCOMP= F
DIPDCM= F NPROT= 0
QADDCM= F DEPRNT= F
POLNUM= F ORIENT= F
POLDYN= T VMTOL=1.50E-01
NPRDTL= 2 IBOYAL= 1
EXTLOC=NONE IVVTYP= 0
PADSVD= F
MOOUTA = 1 2 3 4 5 6 7 8 9 10 11 12
13 14 15 16 17 18 19 20 21 22 23 24
25 26 27 28 29 30 31 32 33 34 35 36
37 38 39 40 41 42 43 44 45 46 47 48
49 50 51 52 53 54 55 56 57 58 59 60
61 62 63 64 65 66 67 68 69 70 71 72
73 74 75 76 77 78 79 80 81 82 83 84
85 86 87 88 89 90 91 92 93 94 95 96
97 98 99 100 101 102 103 104 105 106 107 108
109 110 605 606 607 608 609 610 611
-------------------------
BOYS ORBITAL LOCALIZATION
-------------------------
S.F.BOYS, IN "QUANTUM THEORY OF ATOMS, MOLECULES, AND SOLIDS"
P.O.LOWDIN, ED. ACADEMIC PRESS, NY, 1966 PP253-266.
THIS LOCALIZATION REQUIRES 1371716 WORDS OF MEMORY.
THIS LOCALIZATION HAS 270 ORBITALS, OF WHICH 117 ARE FROZEN.
...... END OF ORBITAL LOCALIZATION ......
CPU 0: STEP CPU TIME= 0.78 TOTAL CPU TIME= 79.8 ( 1.3 MIN)
TOTAL WALL CLOCK TIME= 89.6 SECONDS, CPU UTILIZATION IS 89.03%
PRECONDITIONED CONJUGATE GRADIENT SOLVER CONV. TOLERANCE=5.00E-05
MAXIMUM RESPONSES NONZERO BLOCKS
ITER RESPONSE ERROR IMPROVED AO INTEGRALS SKIPPED
1 3.50627E-01 3 3027921675 0
2 1.96316E-01 3 3027921675 0
3 2.76401E-02 3 3027918067 0
4 8.56455E-03 3 3025550921 0
5 2.99754E-03 3 3014626624 0
6 6.49528E-04 3 2996018726 0
7 2.71433E-04 3 2920500853 0
8 7.79019E-05 3 2797225959 0
9 2.13326E-05 3 2733815157 0
THE CPHF HAS CONVERGED AFTER 9 ITERATIONS.
ts comment CPHFPOL 54.42
.... DONE WITH STATIC POLARIZABILITY ....
CPU 0: STEP CPU TIME= 53.28 TOTAL CPU TIME= 133.1 ( 2.2 MIN)
TOTAL WALL CLOCK TIME= 144.2 SECONDS, CPU UTILIZATION IS 92.30%
PRECONDITIONED CONJUGATE GRADIENT SOLVER CONV. TOLERANCE=5.00E-05
COMPUTING DYNAMIC POLARIZABILTY FOR IMAGINARY FREQUENCY 0.0027916I (A.U.)
MAXIMUM RESPONSES NONZERO BLOCKS
ITER RESPONSE ERROR IMPROVED AO INTEGRALS SKIPPED
1 2.18297E-05 3 3027921675 0
THE CPHF HAS CONVERGED AFTER 1 ITERATIONS.
IT REQUIRED 6 FOCK-LIKE BUILDS TO FIND THE 3 SYMMETRY UNIQUE RESPONSES.
COMPUTING DYNAMIC POLARIZABILTY FOR IMAGINARY FREQUENCY 0.0151066I (A.U.)
MAXIMUM RESPONSES NONZERO BLOCKS
ITER RESPONSE ERROR IMPROVED AO INTEGRALS SKIPPED
1 4.69683E-04 3 3027921675 0
2 9.70195E-05 3 2945670105 0
3 3.57838E-05 3 2913092873 0
THE CPHF HAS CONVERGED AFTER 3 ITERATIONS.
IT REQUIRED 12 FOCK-LIKE BUILDS TO FIND THE 3 SYMMETRY UNIQUE RESPONSES.
COMPUTING DYNAMIC POLARIZABILTY FOR IMAGINARY FREQUENCY 0.0390017I (A.U.)
MAXIMUM RESPONSES NONZERO BLOCKS
ITER RESPONSE ERROR IMPROVED AO INTEGRALS SKIPPED
1 2.38661E-03 3 3027921675 0
2 5.14331E-04 3 3019414860 0
3 2.41120E-04 3 3016649271 0
4 9.22004E-05 3 2975509095 0
5 3.74793E-05 3 2904520538 0
THE CPHF HAS CONVERGED AFTER 5 ITERATIONS.
IT REQUIRED 24 FOCK-LIKE BUILDS TO FIND THE 3 SYMMETRY UNIQUE RESPONSES.
COMPUTING DYNAMIC POLARIZABILTY FOR IMAGINARY FREQUENCY 0.0779961I (A.U.)
MAXIMUM RESPONSES NONZERO BLOCKS
ITER RESPONSE ERROR IMPROVED AO INTEGRALS SKIPPED
1 7.24931E-03 3 3027921675 0
2 1.87412E-03 3 3027546867 0
3 7.54333E-04 3 3027279442 0
4 2.57434E-04 3 3009993328 0
5 1.15260E-04 3 2993939908 0
6 4.77132E-05 3 2961006509 0
THE CPHF HAS CONVERGED AFTER 6 ITERATIONS.
IT REQUIRED 30 FOCK-LIKE BUILDS TO FIND THE 3 SYMMETRY UNIQUE RESPONSES.
COMPUTING DYNAMIC POLARIZABILTY FOR IMAGINARY FREQUENCY 0.1386505I (A.U.)
MAXIMUM RESPONSES NONZERO BLOCKS
ITER RESPONSE ERROR IMPROVED AO INTEGRALS SKIPPED
1 4.99990E-01 3 3027921675 0
2 1.18117E-01 3 3027921675 0
3 3.45536E-02 3 3027921675 0
4 1.16306E-02 3 3027921675 0
5 4.39736E-03 3 3027916038 0
6 1.80454E-03 3 3027547925 0
7 6.60272E-04 3 3025703374 0
8 2.76238E-04 3 3018349554 0
9 1.15477E-04 3 3000303635 0
10 4.61775E-05 3 2949982218 0
THE CPHF HAS CONVERGED AFTER 10 ITERATIONS.
IT REQUIRED 54 FOCK-LIKE BUILDS TO FIND THE 3 SYMMETRY UNIQUE RESPONSES.
COMPUTING DYNAMIC POLARIZABILTY FOR IMAGINARY FREQUENCY 0.2332227I (A.U.)
MAXIMUM RESPONSES NONZERO BLOCKS
ITER RESPONSE ERROR IMPROVED AO INTEGRALS SKIPPED
1 4.76355E-01 3 3027921675 0
2 9.98720E-02 3 3027921675 0
3 2.78877E-02 3 3027921675 0
4 8.43687E-03 3 3027921675 0
5 2.70220E-03 3 3027896910 0
6 9.77922E-04 3 3026937780 0
7 3.16994E-04 3 3021889516 0
8 1.16939E-04 3 3005446081 0
9 4.54463E-05 3 2971295118 0
THE CPHF HAS CONVERGED AFTER 9 ITERATIONS.
IT REQUIRED 48 FOCK-LIKE BUILDS TO FIND THE 3 SYMMETRY UNIQUE RESPONSES.
COMPUTING DYNAMIC POLARIZABILTY FOR IMAGINARY FREQUENCY 0.3858973I (A.U.)
MAXIMUM RESPONSES NONZERO BLOCKS
ITER RESPONSE ERROR IMPROVED AO INTEGRALS SKIPPED
1 4.26266E-01 3 3027921675 0
2 7.09057E-02 3 3027921675 0
3 1.78197E-02 3 3027921675 0
4 4.72259E-03 3 3027921675 0
5 1.12124E-03 3 3027696708 0
6 3.05384E-04 3 3023145762 0
7 8.70104E-05 3 3002500630 0
8 2.54438E-05 3 2953513349 0
THE CPHF HAS CONVERGED AFTER 8 ITERATIONS.
IT REQUIRED 42 FOCK-LIKE BUILDS TO FIND THE 3 SYMMETRY UNIQUE RESPONSES.
COMPUTING DYNAMIC POLARIZABILTY FOR IMAGINARY FREQUENCY 0.6491140I (A.U.)
MAXIMUM RESPONSES NONZERO BLOCKS
ITER RESPONSE ERROR IMPROVED AO INTEGRALS SKIPPED
1 3.38464E-01 3 3027921675 0
2 4.07089E-02 3 3027921675 0
3 7.90337E-03 3 3027921675 0
4 1.62073E-03 3 3027903514 0
5 2.96685E-04 3 3024123606 0
6 6.45185E-05 3 2993761003 0
7 1.36251E-05 3 2926204669 0
THE CPHF HAS CONVERGED AFTER 7 ITERATIONS.
IT REQUIRED 36 FOCK-LIKE BUILDS TO FIND THE 3 SYMMETRY UNIQUE RESPONSES.
COMPUTING DYNAMIC POLARIZABILTY FOR IMAGINARY FREQUENCY 1.1539038I (A.U.)
MAXIMUM RESPONSES NONZERO BLOCKS
ITER RESPONSE ERROR IMPROVED AO INTEGRALS SKIPPED
1 2.24317E-01 3 3027921675 0
2 2.25536E-02 3 3027921675 0
3 2.77931E-03 3 3027919678 0
4 3.75939E-04 3 3027094343 0
5 4.57702E-05 3 2981489192 0
THE CPHF HAS CONVERGED AFTER 5 ITERATIONS.
IT REQUIRED 24 FOCK-LIKE BUILDS TO FIND THE 3 SYMMETRY UNIQUE RESPONSES.
COMPUTING DYNAMIC POLARIZABILTY FOR IMAGINARY FREQUENCY 2.3075922I (A.U.)
MAXIMUM RESPONSES NONZERO BLOCKS
ITER RESPONSE ERROR IMPROVED AO INTEGRALS SKIPPED
1 1.23881E-01 3 3027921675 0
2 9.52622E-03 3 3027921675 0
3 4.58918E-04 3 3027248910 0
4 4.27764E-05 3 2999763683 0
THE CPHF HAS CONVERGED AFTER 4 ITERATIONS.
IT REQUIRED 18 FOCK-LIKE BUILDS TO FIND THE 3 SYMMETRY UNIQUE RESPONSES.
COMPUTING DYNAMIC POLARIZABILTY FOR IMAGINARY FREQUENCY 5.9576432I (A.U.)
MAXIMUM RESPONSES NONZERO BLOCKS
ITER RESPONSE ERROR IMPROVED AO INTEGRALS SKIPPED
1 4.34607E-02 3 3027921675 0
2 1.33121E-03 3 3027891153 0
3 3.44257E-05 3 2972068870 0
THE CPHF HAS CONVERGED AFTER 3 ITERATIONS.
IT REQUIRED 12 FOCK-LIKE BUILDS TO FIND THE 3 SYMMETRY UNIQUE RESPONSES.
COMPUTING DYNAMIC POLARIZABILTY FOR IMAGINARY FREQUENCY 32.2390801I (A.U.)
MAXIMUM RESPONSES NONZERO BLOCKS
ITER RESPONSE ERROR IMPROVED AO INTEGRALS SKIPPED
1 1.99699E-02 3 3027921675 0
2 1.88409E-04 3 3018337525 0
3 8.35209E-07 3 2585215350 0
THE CPHF HAS CONVERGED AFTER 3 ITERATIONS.
IT REQUIRED 12 FOCK-LIKE BUILDS TO FIND THE 3 SYMMETRY UNIQUE RESPONSES.
DONE FOR DYNAMIC POLARIZABILITY
ts comment CPHFDYN 672.42
...... DONE WITH CPHF CONTRIBUTIONS ......
CPU 0: STEP CPU TIME= 653.41 TOTAL CPU TIME= 786.5 ( 13.1 MIN)
TOTAL WALL CLOCK TIME= 815.3 SECONDS, CPU UTILIZATION IS 96.47%
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.786895 -24.801940 41.557007 49.017923
RHF RI MP2 ENERGY
ESCF= -7048.1077379088
E(2)= -5.4336524762
E(MP2)= -7053.5413903850
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.786895 -24.801940 41.557007 49.017923
Iter= 1 iFrag= 5 EFMOc= -7053.541390385 EFMOu= -7048.107737909
CPU 0: STEP CPU TIME= 7.77 TOTAL CPU TIME= 794.3 ( 13.2 MIN)
TOTAL WALL CLOCK TIME= 820.8 SECONDS, CPU UTILIZATION IS 96.77%
Monomer SCF synchronisation on iteration 1.1 took 0.0 s.
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 794.3 ( 13.2 MIN)
TOTAL WALL CLOCK TIME= 820.8 SECONDS, CPU UTILIZATION IS 96.77%
dmexch needs 1339336 words of memory.
CPU 0: STEP CPU TIME= 0.04 TOTAL CPU TIME= 794.3 ( 13.2 MIN)
TOTAL WALL CLOCK TIME= 820.9 SECONDS, CPU UTILIZATION IS 96.75%
Data exchange of 12594342 words took 0.2 s.
1 AFO iteration(s) took 4.0 s.
------------Monomer SCF for layer 1 converged in 1 iterations!------------
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 794.3 ( 13.2 MIN)
TOTAL WALL CLOCK TIME= 820.9 SECONDS, CPU UTILIZATION IS 96.75%
--------------------------------------
EFP TOTAL POLARIZATION CALCULATION
--------------------------------------
INDUCED DIPOLE ATOMIC UNITS DEBYE
-------------- ------------ -----
X(IND) -5.01570 ********
Y(IND) 3.44647 8.76013
Z(IND) -7.56087 ********
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -3.8510183929
--------------------------------------
FINAL EFP ENERGY = -3.8510183929
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT DIPOLES HAVE BEEN PUNCHED
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.138238 -0.313528 1.099367 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
195.761971 -72.621557 160.172607 263.157565
cpu time efpTolpol (s)= 1.55 nproc= 1024
TOTAL POLARIZATION ENERGY = -3.851018393
..... END OF TOTAL POLARIZATION ENERGY .....
CPU 0: STEP CPU TIME= 2.53 TOTAL CPU TIME= 796.8 ( 13.3 MIN)
TOTAL WALL CLOCK TIME= 826.8 SECONDS, CPU UTILIZATION IS 96.38%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0006832128
--------------------------------------
FINAL EFP ENERGY = -0.0006832128
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
3.992416 1.333897 2.698430 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.753655 -9.546619 7.994520 12.752760
FRAGMENT 2 MSN5
X Y Z (BOHR) CHARGE
-32.225172 -11.160365 -1.636353 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
8.045189 -24.666080 41.224268 48.709145
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-17.469617 -6.070027 0.129699 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.798844 -34.212699 49.218788 60.906591
cpu time efp_pol (s)= 0.01 nproc= 8
RHF dimer 119 5 corr= MP2 , LL1= 1057 ID= 26
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 140 NBCORE = 140
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 140
NUMBER OF CORE -B- ORBITALS = 140
NUMBER OF OCC. -A- ORBITALS = 420
NUMBER OF OCC. -B- ORBITALS = 420
NUMBER OF MOLECULAR ORBITALS = 1057
NUMBER OF BASIS FUNCTIONS = 1057
AO spaces for 119 5 0 n-mer: L1= 1057, L0= 1057
Preparing AFOs for this system...
There are 7 occupied and 56 virtual frozen LMOs.
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -9211.3136880677 -9211.3136880677 0.044495557 0.000000000 0.000000000 1.000000000 3637853565 0
---------------START SECOND ORDER SCF---------------
2 1 0 -9327.6227828381 -116.3090947705 0.006175343 0.000970025 0.000000000 0.000000000 3637397693 0
3 2 0 -9327.6229825657 -0.0001997276 0.003040823 0.000339754 0.000000000 0.000000000 3618535087 0
4 3 0 -9327.6230064601 -0.0000238944 0.000660734 0.000208687 0.000000000 0.000000000 3594502763 0
5 4 0 -9327.6230093666 -0.0000029065 0.000178652 0.000032041 0.000000000 0.000000000 3491592623 0
6 5 0 -9327.6230095745 -0.0000002079 0.000101274 0.000010105 0.000000000 0.000000000 3350107268 0
7 6 0 -9327.6230095974 -0.0000000228 0.000018515 0.000002928 0.000000000 0.000000000 3277694439 0
8 7 0 -9327.6230095998 -0.0000000025 0.000007495 0.000000865 0.000000000 0.000000000 3041070781 0
9 8 0 -9327.6230096005 -0.0000000007 0.000004054 0.000000408 0.000000000 0.000000000 2910333843 0
10 9 0 -9327.6230096014 -0.0000000009 0.000000515 0.000000075 0.000000000 0.000000000 2821268346 0
11 10 0 -9327.6230096024 -0.0000000009 0.000000179 0.000000035 0.000000000 0.000000000 2532309089 0
12 11 0 -9327.6230096014 0.0000000009 0.000000000 0.000000008 0.000000000 0.000000000 2384536300 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 65.3 SECONDS ( 5.4 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 6.4, LAST ITERATION= 5.5
TIME TO SOLVE SCF EQUATIONS= 1.4 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -9327.6230096014 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 73.74 TOTAL CPU TIME= 870.6 ( 14.5 MIN)
TOTAL WALL CLOCK TIME= 908.2 SECONDS, CPU UTILIZATION IS 95.86%
RHF RI MP2 ENERGY
ESCF= -9327.6230096014
E(2)= -9.2696849345
E(MP2)= -9336.8926945359
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.871848 -34.206386 49.245165 60.937347
iFrag= 119 jFrag= 5 EFMOc= -9336.892694536
iFrag= 119 jFrag= 5 EFMOu= -9327.623009601 Tr= 0.000683213
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0000744218
--------------------------------------
FINAL EFP ENERGY = -0.0000744218
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-0.772929 -0.343911 2.350119 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-11.061545 7.884951 8.098107 15.814853
FRAGMENT 2 MSN3
X Y Z (BOHR) CHARGE
-30.088233 -11.455627 13.132519 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-24.519901 21.497352 19.555094 38.023196
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-19.802347 -7.556850 9.349289 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-35.581446 29.382303 27.653201 53.796455
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 22 3 corr= MP2 , LL1= 953 ID= 245
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 133 NBCORE = 133
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 133
NUMBER OF CORE -B- ORBITALS = 133
NUMBER OF OCC. -A- ORBITALS = 385
NUMBER OF OCC. -B- ORBITALS = 385
NUMBER OF MOLECULAR ORBITALS = 953
NUMBER OF BASIS FUNCTIONS = 953
AO spaces for 22 3 0 n-mer: L1= 953, L0= 953
Preparing AFOs for this system...
There are 4 occupied and 42 virtual frozen LMOs.
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -8306.0008131814 -8306.0008131814 0.006134467 0.000000000 0.000000000 1.000000000 1787717746 0
---------------START SECOND ORDER SCF---------------
2 1 0 -8306.0101794142 -0.0093662328 0.000946814 0.000524559 0.000000000 0.000000000 1779428119 0
3 2 0 -8306.0101857142 -0.0000063000 0.000679070 0.000157896 0.000000000 0.000000000 1739109068 0
4 3 0 -8306.0101867675 -0.0000010533 0.000143067 0.000077716 0.000000000 0.000000000 1727297216 0
5 4 0 -8306.0101868776 -0.0000001101 0.000047367 0.000022136 0.000000000 0.000000000 1654302489 0
6 5 0 -8306.0101868720 0.0000000056 0.000021770 0.000006124 0.000000000 0.000000000 1590125533 0
7 6 0 -8306.0101868760 -0.0000000040 0.000004241 0.000002241 0.000000000 0.000000000 1541954995 0
8 7 0 -8306.0101868623 0.0000000137 0.000001222 0.000000611 0.000000000 0.000000000 1436623892 0
9 8 0 -8306.0101868756 -0.0000000133 0.000000425 0.000000147 0.000000000 0.000000000 1356254254 0
10 9 0 -8306.0101868728 0.0000000027 0.000000148 0.000000035 0.000000000 0.000000000 1287873569 0
11 10 0 -8306.0101868806 -0.0000000078 0.000000042 0.000000017 0.000000000 0.000000000 1219021918 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 33.2 SECONDS ( 3.0 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 3.3, LAST ITERATION= 2.8
TIME TO SOLVE SCF EQUATIONS= 1.1 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -8306.0101868806 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 69.12 TOTAL CPU TIME= 939.7 ( 15.7 MIN)
TOTAL WALL CLOCK TIME= 968.9 SECONDS, CPU UTILIZATION IS 96.98%
RHF RI MP2 ENERGY
ESCF= -8306.0101868806
E(2)= -8.1577154519
E(MP2)= -8314.1679023324
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-35.576015 29.379998 27.651516 53.790738
iFrag= 22 jFrag= 3 EFMOc= -8314.167902332
iFrag= 22 jFrag= 3 EFMOu= -8306.010186881 Tr= 0.000074422
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0000601945
--------------------------------------
FINAL EFP ENERGY = -0.0000601945
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
1.429802 -2.908890 0.746084 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.736351 7.693491 2.307960 8.485523
FRAGMENT 2 MSN1FN
X Y Z (BOHR) CHARGE
-17.313963 -10.417539 21.925276 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-15.782931 23.374012 -1.369927 28.236892
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-11.123139 -7.937529 14.930061 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-18.519282 31.067504 0.938033 36.180568
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 54 1 corr= MP2 , LL1= 942 ID= 359
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 136 NBCORE = 136
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 136
NUMBER OF CORE -B- ORBITALS = 136
NUMBER OF OCC. -A- ORBITALS = 400
NUMBER OF OCC. -B- ORBITALS = 400
NUMBER OF MOLECULAR ORBITALS = 942
NUMBER OF BASIS FUNCTIONS = 942
AO spaces for 54 1 0 n-mer: L1= 942, L0= 942
Preparing AFOs for this system...
There are 0 occupied and 7 virtual frozen LMOs.
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -8684.6462640415 -8684.6462640415 0.003313104 0.000000000 0.000000000 1.000000000 1688440230 0
---------------START SECOND ORDER SCF---------------
2 1 0 -8684.7456345090 -0.0993704675 0.000996981 0.000495874 0.000000000 0.000000000 1672757665 0
3 2 0 -8684.7456388271 -0.0000043180 0.000710274 0.000147027 0.000000000 0.000000000 1645224008 0
4 3 0 -8684.7456396205 -0.0000007935 0.000072285 0.000044997 0.000000000 0.000000000 1634354756 0
5 4 0 -8684.7456396804 -0.0000000598 0.000024761 0.000011142 0.000000000 0.000000000 1533274600 0
6 5 0 -8684.7456396875 -0.0000000071 0.000017502 0.000007956 0.000000000 0.000000000 1476241012 0
7 6 0 -8684.7456396825 0.0000000050 0.000002372 0.000001381 0.000000000 0.000000000 1457152579 0
8 7 0 -8684.7456396841 -0.0000000016 0.000001062 0.000000537 0.000000000 0.000000000 1344070386 0
9 8 0 -8684.7456396848 -0.0000000007 0.000000286 0.000000146 0.000000000 0.000000000 1300482821 0
10 9 0 -8684.7456396825 0.0000000024 0.000000067 0.000000033 0.000000000 0.000000000 1230042802 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 32.4 SECONDS ( 3.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 3.5, LAST ITERATION= 3.1
TIME TO SOLVE SCF EQUATIONS= 1.1 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -8684.7456396825 AFTER 10 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 58.46 TOTAL CPU TIME= 998.2 ( 16.6 MIN)
TOTAL WALL CLOCK TIME= 1017.8 SECONDS, CPU UTILIZATION IS 98.07%
RHF RI MP2 ENERGY
ESCF= -8684.7456396825
E(2)= -8.6841232045
E(MP2)= -8693.4297628870
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-18.517569 31.067364 0.939941 36.179620
iFrag= 54 jFrag= 1 EFMOc= -8693.429762887
iFrag= 54 jFrag= 1 EFMOu= -8684.745639682 Tr= 0.000060194
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0006733932
--------------------------------------
FINAL EFP ENERGY = -0.0006733932
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-3.581756 -1.845160 -3.457267 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.681398 -2.731659 -8.956865 10.952884
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-4.175633 -4.605399 3.802990 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
19.036661 -1.289439 0.581363 19.089136
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-3.893710 -3.295071 0.356433 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
24.718059 -4.021099 -8.375502 26.406452
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 158 12 corr= MP2 , LL1= 871 ID= 467
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 67 NBCORE = 67
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 67
NUMBER OF CORE -B- ORBITALS = 67
NUMBER OF OCC. -A- ORBITALS = 335
NUMBER OF OCC. -B- ORBITALS = 335
NUMBER OF MOLECULAR ORBITALS = 871
NUMBER OF BASIS FUNCTIONS = 871
AO spaces for 158 12 0 n-mer: L1= 871, L0= 871
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -5090.9999333017 -5090.9999333017 0.049045500 0.000000000 0.000000000 1.000000000 37835415 0
---------------START SECOND ORDER SCF---------------
2 1 0 -5090.9605284135 0.0394048883 0.007998416 0.003015361 0.000000000 0.000000000 37834048 0
3 2 0 -5090.9610036215 -0.0004752080 0.005065091 0.001250536 0.000000000 0.000000000 37809831 0
4 3 0 -5090.9610746709 -0.0000710494 0.001005864 0.000631888 0.000000000 0.000000000 37786075 0
5 4 0 -5090.9610817616 -0.0000070907 0.000228162 0.000091473 0.000000000 0.000000000 37540894 0
6 5 0 -5090.9610822528 -0.0000004912 0.000149442 0.000031873 0.000000000 0.000000000 37056370 0
7 6 0 -5090.9610823079 -0.0000000551 0.000024466 0.000004980 0.000000000 0.000000000 36872035 0
8 7 0 -5090.9610823097 -0.0000000018 0.000008707 0.000002585 0.000000000 0.000000000 36170051 0
9 8 0 -5090.9610823100 -0.0000000003 0.000001486 0.000000803 0.000000000 0.000000000 35824625 0
10 9 0 -5090.9610823100 -0.0000000000 0.000000334 0.000000247 0.000000000 0.000000000 35133156 0
11 10 0 -5090.9610823100 0.0000000000 0.000000164 0.000000042 0.000000000 0.000000000 34541552 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.6 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.8 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -5090.9610823100 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 26.49 TOTAL CPU TIME= 1024.6 ( 17.1 MIN)
TOTAL WALL CLOCK TIME= 1035.8 SECONDS, CPU UTILIZATION IS 98.92%
RHF RI MP2 ENERGY
ESCF= -5090.9610823100
E(2)= -8.5612562929
E(MP2)= -5099.5223386029
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
24.804199 -4.004244 -8.186197 26.425293
iFrag= 158 jFrag= 12 EFMOc= -5099.522338603
iFrag= 158 jFrag= 12 EFMOu= -5090.961082310 Tr= 0.000673393
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0001588014
--------------------------------------
FINAL EFP ENERGY = -0.0001588014
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-5.358172 5.089957 -4.721797 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
16.732536 -4.852449 4.858071 18.086594
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-1.446860 3.523964 -6.271998 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.029311 -4.329118 -5.583963 7.140125
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-3.402516 4.306961 -5.496898 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
15.703225 -9.181566 -0.725892 18.204927
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 33 13 corr= MP2 , LL1= 780 ID= 557
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 33 13 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0580465542 -4559.0580465542 0.025341895 0.000000000 0.000000000 1.000000000 24680719 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0583728085 -0.0003262543 0.006082322 0.001174884 0.000000000 0.000000000 24678588 0
3 2 0 -4559.0584211206 -0.0000483121 0.002144870 0.000350978 0.000000000 0.000000000 24665915 0
4 3 0 -4559.0584256364 -0.0000045158 0.000183027 0.000116289 0.000000000 0.000000000 24615356 0
5 4 0 -4559.0584259049 -0.0000002686 0.000136921 0.000038663 0.000000000 0.000000000 24363157 0
6 5 0 -4559.0584259510 -0.0000000461 0.000032278 0.000010881 0.000000000 0.000000000 24316045 0
7 6 0 -4559.0584259546 -0.0000000036 0.000005632 0.000002183 0.000000000 0.000000000 24061780 0
8 7 0 -4559.0584259547 -0.0000000002 0.000002726 0.000000834 0.000000000 0.000000000 23703264 0
9 8 0 -4559.0584259548 -0.0000000000 0.000000324 0.000000116 0.000000000 0.000000000 23481492 0
10 9 0 -4559.0584259547 0.0000000000 0.000000121 0.000000051 0.000000000 0.000000000 23063746 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 1.8 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.5 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0584259547 AFTER 10 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 23.94 TOTAL CPU TIME= 1048.6 ( 17.5 MIN)
TOTAL WALL CLOCK TIME= 1051.3 SECONDS, CPU UTILIZATION IS 99.75%
RHF RI MP2 ENERGY
ESCF= -4559.0584259547
E(2)= -7.6643150438
E(MP2)= -4566.7227409985
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
15.723534 -9.194375 -0.729301 18.229041
iFrag= 33 jFrag= 13 EFMOc= -4566.722740999
iFrag= 33 jFrag= 13 EFMOu= -4559.058425955 Tr= 0.000158801
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002750738
--------------------------------------
FINAL EFP ENERGY = -0.0002750738
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-5.281253 -0.245402 -3.107605 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.412069 -7.820738 0.514419 7.848463
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
-5.132964 2.255139 -1.239886 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.737727 3.511032 2.164059 4.475510
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-5.207108 1.004869 -2.173746 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.149795 -4.309706 2.678479 5.510847
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 157 107 corr= MP2 , LL1= 780 ID= 626
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 157 107 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0639977280 -4559.0639977280 0.065307959 0.000000000 0.000000000 1.000000000 27812703 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0604515742 0.0035461538 0.014494561 0.003616922 0.000000000 0.000000000 27812064 0
3 2 0 -4559.0607698737 -0.0003182995 0.006193600 0.001341966 0.000000000 0.000000000 27804521 0
4 3 0 -4559.0608079028 -0.0000380291 0.000877922 0.000635594 0.000000000 0.000000000 27784325 0
5 4 0 -4559.0608116621 -0.0000037594 0.000367188 0.000094290 0.000000000 0.000000000 27605999 0
6 5 0 -4559.0608119273 -0.0000002652 0.000089168 0.000028513 0.000000000 0.000000000 27417149 0
7 6 0 -4559.0608119593 -0.0000000320 0.000017981 0.000008378 0.000000000 0.000000000 27069243 0
8 7 0 -4559.0608119607 -0.0000000014 0.000007416 0.000003848 0.000000000 0.000000000 26607217 0
9 8 0 -4559.0608119609 -0.0000000002 0.000001912 0.000000867 0.000000000 0.000000000 26358455 0
10 9 0 -4559.0608119609 -0.0000000000 0.000000317 0.000000159 0.000000000 0.000000000 25929199 0
11 10 0 -4559.0608119609 0.0000000000 0.000000119 0.000000045 0.000000000 0.000000000 25361653 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.1 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0608119609 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.81 TOTAL CPU TIME= 1066.4 ( 17.8 MIN)
TOTAL WALL CLOCK TIME= 1063.3 SECONDS, CPU UTILIZATION IS 100.29%
RHF RI MP2 ENERGY
ESCF= -4559.0608119609
E(2)= -7.6663459317
E(MP2)= -4566.7271578926
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.887596 -4.484616 2.700809 5.564995
iFrag= 157 jFrag= 107 EFMOc= -4566.727157893
iFrag= 157 jFrag= 107 EFMOu= -4559.060811961 Tr= 0.000275074
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0001776707
--------------------------------------
FINAL EFP ENERGY = -0.0001776707
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-5.281253 -0.245402 -3.107605 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.342342 -7.834363 0.482148 7.856647
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
3.743012 6.425396 -4.234808 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-8.021628 0.477514 8.167583 11.457921
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-0.769120 3.089997 -3.671207 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-7.679286 -7.356849 8.649731 13.708119
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 157 133 corr= MP2 , LL1= 780 ID= 744
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 157 133 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0594703967 -4559.0594703967 0.049525237 0.000000000 0.000000000 1.000000000 22434457 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0596163730 -0.0001459763 0.010812366 0.002746834 0.000000000 0.000000000 22433788 0
3 2 0 -4559.0597713603 -0.0001549873 0.004196048 0.000786417 0.000000000 0.000000000 22427255 0
4 3 0 -4559.0597900951 -0.0000187348 0.000622056 0.000373160 0.000000000 0.000000000 22402642 0
5 4 0 -4559.0597911775 -0.0000010824 0.000250988 0.000114504 0.000000000 0.000000000 22243525 0
6 5 0 -4559.0597913352 -0.0000001577 0.000077470 0.000020626 0.000000000 0.000000000 22103701 0
7 6 0 -4559.0597913481 -0.0000000129 0.000018756 0.000007415 0.000000000 0.000000000 21935773 0
8 7 0 -4559.0597913489 -0.0000000008 0.000005718 0.000002343 0.000000000 0.000000000 21791099 0
9 8 0 -4559.0597913490 -0.0000000001 0.000001766 0.000000609 0.000000000 0.000000000 21634269 0
10 9 0 -4559.0597913490 0.0000000000 0.000000397 0.000000363 0.000000000 0.000000000 21446968 0
11 10 0 -4559.0597913490 0.0000000000 0.000000078 0.000000040 0.000000000 0.000000000 21288065 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.0 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0597913490 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.62 TOTAL CPU TIME= 1084.0 ( 18.1 MIN)
TOTAL WALL CLOCK TIME= 1075.1 SECONDS, CPU UTILIZATION IS 100.83%
RHF RI MP2 ENERGY
ESCF= -4559.0597913490
E(2)= -7.6655638927
E(MP2)= -4566.7253552417
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-7.777021 -7.512105 8.695983 13.875659
iFrag= 157 jFrag= 133 EFMOc= -4566.725355242
iFrag= 157 jFrag= 133 EFMOu= -4559.059791349 Tr= 0.000177671
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0004075684
--------------------------------------
FINAL EFP ENERGY = -0.0004075684
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
1.100985 -7.924582 -6.459049 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-8.725430 -6.186356 14.287035 17.847227
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
6.131578 -5.314389 1.888818 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-7.113682 6.744865 -17.162714 19.765030
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
3.616282 -6.619485 -2.285115 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-15.839112 0.558509 -2.875678 16.107729
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 60 17 corr= MP2 , LL1= 780 ID= 863
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 60 17 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0545982697 -4559.0545982697 0.073710525 0.000000000 0.000000000 1.000000000 26549798 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0539118145 0.0006864552 0.017165511 0.004944793 0.000000000 0.000000000 26549484 0
3 2 0 -4559.0542428832 -0.0003310686 0.007485254 0.001482469 0.000000000 0.000000000 26544896 0
4 3 0 -4559.0542785118 -0.0000356286 0.000885975 0.000560011 0.000000000 0.000000000 26530973 0
5 4 0 -4559.0542815342 -0.0000030225 0.000339776 0.000177826 0.000000000 0.000000000 26340816 0
6 5 0 -4559.0542818494 -0.0000003151 0.000118533 0.000042323 0.000000000 0.000000000 26168519 0
7 6 0 -4559.0542818855 -0.0000000362 0.000027053 0.000010714 0.000000000 0.000000000 25945583 0
8 7 0 -4559.0542818874 -0.0000000018 0.000009214 0.000003517 0.000000000 0.000000000 25622237 0
9 8 0 -4559.0542818877 -0.0000000003 0.000001781 0.000001410 0.000000000 0.000000000 25424847 0
10 9 0 -4559.0542818877 -0.0000000000 0.000000313 0.000000193 0.000000000 0.000000000 25142560 0
11 10 0 -4559.0542818877 0.0000000000 0.000000126 0.000000047 0.000000000 0.000000000 24762232 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.1 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0542818877 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.66 TOTAL CPU TIME= 1101.7 ( 18.4 MIN)
TOTAL WALL CLOCK TIME= 1086.9 SECONDS, CPU UTILIZATION IS 101.35%
RHF RI MP2 ENERGY
ESCF= -4559.0542818877
E(2)= -7.6689191449
E(MP2)= -4566.7232010326
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-15.717799 0.594099 -2.928402 15.999303
iFrag= 60 jFrag= 17 EFMOc= -4566.723201033
iFrag= 60 jFrag= 17 EFMOu= -4559.054281888 Tr= 0.000407568
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0001409997
--------------------------------------
FINAL EFP ENERGY = -0.0001409997
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-5.281253 -0.245402 -3.107605 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.476278 -7.821251 0.411153 7.846519
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-8.724544 0.652670 5.449038 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.530498 0.406951 -0.418918 0.789006
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-7.002898 0.203634 1.170717 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.006776 -7.414300 -0.007766 7.482346
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 157 98 corr= MP2 , LL1= 780 ID= 984
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 157 98 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0275746650 -4559.0275746650 0.027779306 0.000000000 0.000000000 1.000000000 23086262 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0281731785 -0.0005985135 0.006353922 0.001494007 0.000000000 0.000000000 23084348 0
3 2 0 -4559.0282160359 -0.0000428574 0.002575312 0.000339111 0.000000000 0.000000000 23070590 0
4 3 0 -4559.0282205171 -0.0000044812 0.000338797 0.000222432 0.000000000 0.000000000 23035892 0
5 4 0 -4559.0282210367 -0.0000005195 0.000148918 0.000036501 0.000000000 0.000000000 22791096 0
6 5 0 -4559.0282210686 -0.0000000320 0.000039800 0.000010538 0.000000000 0.000000000 22686658 0
7 6 0 -4559.0282210729 -0.0000000043 0.000005194 0.000002109 0.000000000 0.000000000 22473873 0
8 7 0 -4559.0282210731 -0.0000000001 0.000002921 0.000000767 0.000000000 0.000000000 22146502 0
9 8 0 -4559.0282210731 -0.0000000001 0.000000513 0.000000297 0.000000000 0.000000000 22086954 0
10 9 0 -4559.0282210731 0.0000000000 0.000000142 0.000000142 0.000000000 0.000000000 21725367 0
11 10 0 -4559.0282210731 0.0000000000 0.000000037 0.000000020 0.000000000 0.000000000 21459037 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.0 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0282210731 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.59 TOTAL CPU TIME= 1119.3 ( 18.7 MIN)
TOTAL WALL CLOCK TIME= 1098.7 SECONDS, CPU UTILIZATION IS 101.87%
RHF RI MP2 ENERGY
ESCF= -4559.0282210731
E(2)= -7.6640335821
E(MP2)= -4566.6922546552
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.996316 -7.443814 -0.043671 7.510321
iFrag= 157 jFrag= 98 EFMOc= -4566.692254655
iFrag= 157 jFrag= 98 EFMOu= -4559.028221073 Tr= 0.000141000
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0009358057
--------------------------------------
FINAL EFP ENERGY = -0.0009358057
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-5.281253 -0.245402 -3.107605 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.320595 -7.896938 0.377802 7.912467
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.403576 -19.985593 1.858638 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
14.914154 -5.880487 5.301347 16.885390
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-2.842414 -10.115497 -0.624484 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
15.234748 -13.777425 5.679148 21.311211
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 157 32 corr= MP2 , LL1= 780 ID= 1109
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 157 32 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0943434967 -4559.0943434967 0.055930783 0.000000000 0.000000000 1.000000000 29569123 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0659119620 0.0284315347 0.011080881 0.003443004 0.000000000 0.000000000 29568102 0
3 2 0 -4559.0666169787 -0.0007050167 0.004633409 0.001429671 0.000000000 0.000000000 29557468 0
4 3 0 -4559.0667162699 -0.0000992912 0.001084066 0.000950288 0.000000000 0.000000000 29530811 0
5 4 0 -4559.0667256022 -0.0000093323 0.000340374 0.000115293 0.000000000 0.000000000 29396949 0
6 5 0 -4559.0667261516 -0.0000005494 0.000182918 0.000039071 0.000000000 0.000000000 29197550 0
7 6 0 -4559.0667262189 -0.0000000673 0.000038780 0.000010241 0.000000000 0.000000000 29039804 0
8 7 0 -4559.0667262219 -0.0000000030 0.000014185 0.000003931 0.000000000 0.000000000 28707301 0
9 8 0 -4559.0667262224 -0.0000000005 0.000002172 0.000000948 0.000000000 0.000000000 28511719 0
10 9 0 -4559.0667262224 -0.0000000000 0.000000433 0.000000176 0.000000000 0.000000000 28032397 0
11 10 0 -4559.0667262225 -0.0000000000 0.000000206 0.000000062 0.000000000 0.000000000 27542221 0
12 11 0 -4559.0667262225 0.0000000000 0.000000035 0.000000012 0.000000000 0.000000000 27355581 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.3 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0667262225 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.95 TOTAL CPU TIME= 1137.2 ( 19.0 MIN)
TOTAL WALL CLOCK TIME= 1110.8 SECONDS, CPU UTILIZATION IS 102.38%
RHF RI MP2 ENERGY
ESCF= -4559.0667262225
E(2)= -7.6694545464
E(MP2)= -4566.7361807688
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
15.417506 -14.141986 5.961597 21.753985
iFrag= 157 jFrag= 32 EFMOc= -4566.736180769
iFrag= 157 jFrag= 32 EFMOu= -4559.066726222 Tr= 0.000935806
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0005262469
--------------------------------------
FINAL EFP ENERGY = -0.0005262469
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
5.841377 4.718450 2.618915 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.665384 -1.351906 7.318901 7.905582
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-1.723119 -5.575458 8.359485 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-15.763823 3.659135 -15.552734 22.444930
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.059129 -0.428504 5.489200 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-18.429207 2.307229 -8.233833 20.316372
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 38 14 corr= MP2 , LL1= 780 ID= 1236
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 38 14 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0681174030 -4559.0681174030 0.049790991 0.000000000 0.000000000 1.000000000 25196524 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0244798754 0.0436375276 0.010882145 0.005473830 0.000000000 0.000000000 25195782 0
3 2 0 -4559.0251387018 -0.0006588264 0.005462740 0.002020147 0.000000000 0.000000000 25189717 0
4 3 0 -4559.0252455093 -0.0001068075 0.001213695 0.000724641 0.000000000 0.000000000 25181309 0
5 4 0 -4559.0252552477 -0.0000097385 0.000386694 0.000141591 0.000000000 0.000000000 25102433 0
6 5 0 -4559.0252560214 -0.0000007737 0.000136983 0.000037683 0.000000000 0.000000000 24965061 0
7 6 0 -4559.0252560801 -0.0000000587 0.000032062 0.000009786 0.000000000 0.000000000 24800361 0
8 7 0 -4559.0252560832 -0.0000000031 0.000008538 0.000004105 0.000000000 0.000000000 24566597 0
9 8 0 -4559.0252560837 -0.0000000005 0.000002006 0.000001106 0.000000000 0.000000000 24362278 0
10 9 0 -4559.0252560838 -0.0000000000 0.000000538 0.000000260 0.000000000 0.000000000 24175752 0
11 10 0 -4559.0252560837 0.0000000000 0.000000141 0.000000102 0.000000000 0.000000000 23970780 0
12 11 0 -4559.0252560837 -0.0000000000 0.000000053 0.000000035 0.000000000 0.000000000 23750920 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.2 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0252560837 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.83 TOTAL CPU TIME= 1155.0 ( 19.3 MIN)
TOTAL WALL CLOCK TIME= 1122.7 SECONDS, CPU UTILIZATION IS 102.88%
RHF RI MP2 ENERGY
ESCF= -4559.0252560837
E(2)= -7.6688088035
E(MP2)= -4566.6940648872
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-18.450750 2.417883 -8.284450 20.369302
iFrag= 38 jFrag= 14 EFMOc= -4566.694064887
iFrag= 38 jFrag= 14 EFMOu= -4559.025256084 Tr= 0.000526247
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0003083489
--------------------------------------
FINAL EFP ENERGY = -0.0003083489
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-0.046706 6.746798 -0.013668 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.119766 -0.468091 -6.894227 7.227924
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-2.235704 6.677927 1.906504 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
17.592841 0.902784 18.470643 25.524257
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.141205 6.712363 0.946418 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
15.473076 0.434693 11.576415 19.329211
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 27 16 corr= MP2 , LL1= 780 ID= 1364
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 27 16 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.1015910926 -4559.1015910926 0.075917951 0.000000000 0.000000000 1.000000000 30482048 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0575075704 0.0440835222 0.017238908 0.004467960 0.000000000 0.000000000 30481614 0
3 2 0 -4559.0579271955 -0.0004196251 0.008075708 0.001746623 0.000000000 0.000000000 30475904 0
4 3 0 -4559.0579846250 -0.0000574295 0.001171112 0.000664277 0.000000000 0.000000000 30465670 0
5 4 0 -4559.0579917038 -0.0000070788 0.000640994 0.000167334 0.000000000 0.000000000 30295497 0
6 5 0 -4559.0579924501 -0.0000007462 0.000172915 0.000049752 0.000000000 0.000000000 30204488 0
7 6 0 -4559.0579925119 -0.0000000618 0.000018887 0.000011621 0.000000000 0.000000000 29939243 0
8 7 0 -4559.0579925135 -0.0000000016 0.000009619 0.000006991 0.000000000 0.000000000 29427325 0
9 8 0 -4559.0579925138 -0.0000000003 0.000001850 0.000000926 0.000000000 0.000000000 29239102 0
10 9 0 -4559.0579925138 -0.0000000000 0.000000558 0.000000155 0.000000000 0.000000000 28653557 0
11 10 0 -4559.0579925138 0.0000000000 0.000000141 0.000000049 0.000000000 0.000000000 28389530 0
12 11 0 -4559.0579925138 0.0000000000 0.000000048 0.000000021 0.000000000 0.000000000 27933474 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.3 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0579925138 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.96 TOTAL CPU TIME= 1173.0 ( 19.6 MIN)
TOTAL WALL CLOCK TIME= 1134.8 SECONDS, CPU UTILIZATION IS 103.36%
RHF RI MP2 ENERGY
ESCF= -4559.0579925138
E(2)= -7.6696161520
E(MP2)= -4566.7276086657
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
15.495446 0.279800 11.641588 19.383336
iFrag= 27 jFrag= 16 EFMOc= -4566.727608666
iFrag= 27 jFrag= 16 EFMOu= -4559.057992514 Tr= 0.000308349
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0006830334
--------------------------------------
FINAL EFP ENERGY = -0.0006830334
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-1.196761 -6.362523 8.523129 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.458789 1.586640 7.649573 8.190180
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-1.446860 3.523964 -6.271998 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.931762 -4.491684 -5.669020 7.292543
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.321810 -1.419279 1.125565 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.527027 -2.905044 1.980554 3.833234
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 56 13 corr= MP2 , LL1= 780 ID= 1497
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 56 13 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.1040346387 -4559.1040346387 0.061007391 0.000000000 0.000000000 1.000000000 25987646 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0674074487 0.0366271900 0.012981743 0.007140046 0.000000000 0.000000000 25987226 0
3 2 0 -4559.0681968661 -0.0007894174 0.006306421 0.002296646 0.000000000 0.000000000 25983217 0
4 3 0 -4559.0683106931 -0.0001138269 0.000986829 0.000790221 0.000000000 0.000000000 25974753 0
5 4 0 -4559.0683209180 -0.0000102250 0.000343260 0.000137751 0.000000000 0.000000000 25835121 0
6 5 0 -4559.0683216004 -0.0000006824 0.000152440 0.000039020 0.000000000 0.000000000 25694576 0
7 6 0 -4559.0683216758 -0.0000000754 0.000030680 0.000007126 0.000000000 0.000000000 25533775 0
8 7 0 -4559.0683216784 -0.0000000026 0.000012694 0.000003505 0.000000000 0.000000000 25232063 0
9 8 0 -4559.0683216789 -0.0000000005 0.000002112 0.000001101 0.000000000 0.000000000 25078827 0
10 9 0 -4559.0683216789 -0.0000000000 0.000000556 0.000000165 0.000000000 0.000000000 24806912 0
11 10 0 -4559.0683216789 0.0000000000 0.000000163 0.000000054 0.000000000 0.000000000 24538742 0
12 11 0 -4559.0683216789 0.0000000000 0.000000047 0.000000021 0.000000000 0.000000000 24240238 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.2 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0683216789 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.86 TOTAL CPU TIME= 1190.9 ( 19.8 MIN)
TOTAL WALL CLOCK TIME= 1146.9 SECONDS, CPU UTILIZATION IS 103.84%
RHF RI MP2 ENERGY
ESCF= -4559.0683216789
E(2)= -7.6690567070
E(MP2)= -4566.7373783859
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.405224 -2.829898 1.752851 3.613235
iFrag= 56 jFrag= 13 EFMOc= -4566.737378386
iFrag= 56 jFrag= 13 EFMOu= -4559.068321679 Tr= 0.000683033
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0000371819
--------------------------------------
FINAL EFP ENERGY = -0.0000371819
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-5.095126 7.247145 -8.360755 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.740250 -2.045170 -20.372651 20.657604
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.648810 10.418020 -2.404061 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.963571 -0.987694 6.779030 7.126458
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.723158 8.832583 -5.382408 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.703821 -3.032864 -13.593621 14.700705
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 58 31 corr= MP2 , LL1= 780 ID= 1626
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 58 31 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0532656760 -4559.0532656760 0.002666343 0.000000000 0.000000000 1.000000000 22666521 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0533140960 -0.0000484200 0.000612408 0.000340528 0.000000000 0.000000000 22604682 0
3 2 0 -4559.0533179749 -0.0000038789 0.000444483 0.000121468 0.000000000 0.000000000 22458112 0
4 3 0 -4559.0533186267 -0.0000006518 0.000076296 0.000076057 0.000000000 0.000000000 22409405 0
5 4 0 -4559.0533186832 -0.0000000565 0.000014104 0.000011710 0.000000000 0.000000000 22120058 0
6 5 0 -4559.0533186856 -0.0000000024 0.000009289 0.000003236 0.000000000 0.000000000 21859639 0
7 6 0 -4559.0533186859 -0.0000000003 0.000001905 0.000001040 0.000000000 0.000000000 21800428 0
8 7 0 -4559.0533186859 0.0000000000 0.000000774 0.000000315 0.000000000 0.000000000 21484145 0
9 8 0 -4559.0533186859 -0.0000000000 0.000000122 0.000000077 0.000000000 0.000000000 21238995 0
10 9 0 -4559.0533186859 -0.0000000000 0.000000040 0.000000036 0.000000000 0.000000000 21001741 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 1.8 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.5 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0533186859 AFTER 10 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.37 TOTAL CPU TIME= 1208.2 ( 20.1 MIN)
TOTAL WALL CLOCK TIME= 1158.3 SECONDS, CPU UTILIZATION IS 104.31%
RHF RI MP2 ENERGY
ESCF= -4559.0533186859
E(2)= -7.6646555743
E(MP2)= -4566.7179742602
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.703036 -3.032478 -13.592405 14.699250
iFrag= 58 jFrag= 31 EFMOc= -4566.717974260
iFrag= 58 jFrag= 31 EFMOu= -4559.053318686 Tr= 0.000037182
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0006820077
--------------------------------------
FINAL EFP ENERGY = -0.0006820077
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
1.100985 -7.924582 -6.459049 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-8.597150 -6.505536 14.105386 17.753730
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
7.905276 1.654618 -8.566142 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
19.453452 -0.477115 -6.657347 20.566592
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
4.503130 -3.134982 -7.512596 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.856302 -6.982652 7.448039 14.902685
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 60 41 corr= MP2 , LL1= 780 ID= 1751
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 60 41 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0793049306 -4559.0793049306 0.066189920 0.000000000 0.000000000 1.000000000 28389901 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0525100394 0.0267948912 0.015369423 0.007077430 0.000000000 0.000000000 28389493 0
3 2 0 -4559.0532428899 -0.0007328505 0.007562279 0.002319519 0.000000000 0.000000000 28384117 0
4 3 0 -4559.0533431099 -0.0001002200 0.001223398 0.000776484 0.000000000 0.000000000 28372027 0
5 4 0 -4559.0533525514 -0.0000094415 0.000425498 0.000150143 0.000000000 0.000000000 28233303 0
6 5 0 -4559.0533532103 -0.0000006589 0.000126665 0.000046880 0.000000000 0.000000000 28082988 0
7 6 0 -4559.0533532825 -0.0000000722 0.000025701 0.000008939 0.000000000 0.000000000 27833107 0
8 7 0 -4559.0533532850 -0.0000000025 0.000012054 0.000004634 0.000000000 0.000000000 27462351 0
9 8 0 -4559.0533532855 -0.0000000005 0.000002362 0.000000813 0.000000000 0.000000000 27314559 0
10 9 0 -4559.0533532855 -0.0000000000 0.000000457 0.000000192 0.000000000 0.000000000 26916890 0
11 10 0 -4559.0533532855 0.0000000000 0.000000187 0.000000068 0.000000000 0.000000000 26586270 0
12 11 0 -4559.0533532855 0.0000000000 0.000000050 0.000000015 0.000000000 0.000000000 26357665 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.3 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0533532855 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.94 TOTAL CPU TIME= 1226.2 ( 20.4 MIN)
TOTAL WALL CLOCK TIME= 1170.4 SECONDS, CPU UTILIZATION IS 104.77%
RHF RI MP2 ENERGY
ESCF= -4559.0533532855
E(2)= -7.6707756361
E(MP2)= -4566.7241289215
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.612078 -7.004509 7.416248 14.720057
iFrag= 60 jFrag= 41 EFMOc= -4566.724128922
iFrag= 60 jFrag= 41 EFMOu= -4559.053353285 Tr= 0.000682008
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0004799499
--------------------------------------
FINAL EFP ENERGY = -0.0004799499
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
10.589497 6.804542 -3.721222 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.631063 -3.045524 8.024651 12.900683
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
9.440542 -2.739730 -4.577614 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.129547 3.572900 10.847586 12.144500
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
10.015019 2.032406 -4.149418 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
13.760610 0.527376 18.872237 23.362231
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 62 51 corr= MP2 , LL1= 780 ID= 1880
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 62 51 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0489109384 -4559.0489109384 0.104114152 0.000000000 0.000000000 1.000000000 32887044 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4558.9818387695 0.0670721689 0.006681172 0.005076120 0.000000000 0.000000000 32886866 0
3 2 0 -4558.9822173971 -0.0003786276 0.003258756 0.001379873 0.000000000 0.000000000 32866344 0
4 3 0 -4558.9822582170 -0.0000408199 0.000723468 0.000720500 0.000000000 0.000000000 32833315 0
5 4 0 -4558.9822629994 -0.0000047824 0.000171642 0.000071011 0.000000000 0.000000000 32631330 0
6 5 0 -4558.9822632837 -0.0000002844 0.000118480 0.000036777 0.000000000 0.000000000 32349322 0
7 6 0 -4558.9822633258 -0.0000000420 0.000014829 0.000012742 0.000000000 0.000000000 32259991 0
8 7 0 -4558.9822633270 -0.0000000013 0.000004388 0.000001888 0.000000000 0.000000000 31610478 0
9 8 0 -4558.9822633272 -0.0000000002 0.000002301 0.000000973 0.000000000 0.000000000 31250039 0
10 9 0 -4558.9822633272 0.0000000000 0.000000703 0.000000337 0.000000000 0.000000000 31058408 0
11 10 0 -4558.9822633272 -0.0000000001 0.000000159 0.000000044 0.000000000 0.000000000 30717334 0
12 11 0 -4558.9822633272 0.0000000000 0.000000033 0.000000019 0.000000000 0.000000000 30211847 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.3 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4558.9822633272 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 18.16 TOTAL CPU TIME= 1244.3 ( 20.7 MIN)
TOTAL WALL CLOCK TIME= 1182.8 SECONDS, CPU UTILIZATION IS 105.20%
RHF RI MP2 ENERGY
ESCF= -4558.9822633272
E(2)= -7.6693151550
E(MP2)= -4566.6515784822
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
13.802527 0.598016 18.828495 23.353364
iFrag= 62 jFrag= 51 EFMOc= -4566.651578482
iFrag= 62 jFrag= 51 EFMOu= -4558.982263327 Tr= 0.000479950
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002552599
--------------------------------------
FINAL EFP ENERGY = -0.0002552599
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
0.818443 4.300672 9.605564 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.541631 -10.373443 5.173532 12.120928
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-5.095126 7.247145 -8.360755 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.696672 -2.068281 -20.415041 20.695983
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-2.138342 5.773908 0.622405 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.844959 -12.441724 -15.241508 19.692994
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 64 58 corr= MP2 , LL1= 780 ID= 2010
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 64 58 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0629094867 -4559.0629094867 0.047928910 0.000000000 0.000000000 1.000000000 26837588 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0450751202 0.0178343665 0.006308493 0.002073631 0.000000000 0.000000000 26836272 0
3 2 0 -4559.0451988694 -0.0001237492 0.002639024 0.000795573 0.000000000 0.000000000 26812725 0
4 3 0 -4559.0452118869 -0.0000130175 0.000544555 0.000346502 0.000000000 0.000000000 26749566 0
5 4 0 -4559.0452134105 -0.0000015236 0.000182069 0.000057396 0.000000000 0.000000000 26538058 0
6 5 0 -4559.0452135343 -0.0000001238 0.000114021 0.000019535 0.000000000 0.000000000 26294448 0
7 6 0 -4559.0452135499 -0.0000000156 0.000009581 0.000003283 0.000000000 0.000000000 26200764 0
8 7 0 -4559.0452135504 -0.0000000004 0.000003988 0.000001071 0.000000000 0.000000000 25578632 0
9 8 0 -4559.0452135504 -0.0000000000 0.000001003 0.000000309 0.000000000 0.000000000 25367397 0
10 9 0 -4559.0452135504 -0.0000000000 0.000000233 0.000000129 0.000000000 0.000000000 25022304 0
11 10 0 -4559.0452135504 0.0000000000 0.000000166 0.000000037 0.000000000 0.000000000 24724525 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.0 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0452135504 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.67 TOTAL CPU TIME= 1262.0 ( 21.0 MIN)
TOTAL WALL CLOCK TIME= 1194.6 SECONDS, CPU UTILIZATION IS 105.64%
RHF RI MP2 ENERGY
ESCF= -4559.0452135504
E(2)= -7.6650158069
E(MP2)= -4566.7102293573
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.776731 -12.450490 -15.351439 19.780917
iFrag= 64 jFrag= 58 EFMOc= -4566.710229357
iFrag= 64 jFrag= 58 EFMOu= -4559.045213550 Tr= 0.000255260
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0006252540
--------------------------------------
FINAL EFP ENERGY = -0.0006252540
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
9.440542 -2.739730 -4.577614 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.178945 3.371908 10.852926 12.108648
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
2.906718 -5.282651 2.797385 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.231190 9.968799 -3.756108 10.884095
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
6.173630 -4.011190 -0.890115 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.410135 13.340707 7.096818 16.414296
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 51 28 corr= MP2 , LL1= 780 ID= 2137
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 51 28 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0806140313 -4559.0806140313 0.061237218 0.000000000 0.000000000 1.000000000 30510027 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0652424444 0.0153715868 0.015738669 0.004609077 0.000000000 0.000000000 30509288 0
3 2 0 -4559.0660993219 -0.0008568775 0.007679463 0.001468319 0.000000000 0.000000000 30501882 0
4 3 0 -4559.0662125146 -0.0001131927 0.001217751 0.000668533 0.000000000 0.000000000 30489177 0
5 4 0 -4559.0662231608 -0.0000106461 0.000370859 0.000154800 0.000000000 0.000000000 30340097 0
6 5 0 -4559.0662238971 -0.0000007363 0.000121499 0.000040015 0.000000000 0.000000000 30131310 0
7 6 0 -4559.0662239767 -0.0000000796 0.000017454 0.000008661 0.000000000 0.000000000 29883477 0
8 7 0 -4559.0662239800 -0.0000000033 0.000009860 0.000006750 0.000000000 0.000000000 29392323 0
9 8 0 -4559.0662239807 -0.0000000007 0.000002183 0.000000653 0.000000000 0.000000000 29234763 0
10 9 0 -4559.0662239807 -0.0000000000 0.000000542 0.000000183 0.000000000 0.000000000 28785701 0
11 10 0 -4559.0662239807 -0.0000000000 0.000000161 0.000000055 0.000000000 0.000000000 28483413 0
12 11 0 -4559.0662239807 0.0000000000 0.000000039 0.000000026 0.000000000 0.000000000 28094426 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.3 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0662239807 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 18.08 TOTAL CPU TIME= 1280.1 ( 21.3 MIN)
TOTAL WALL CLOCK TIME= 1207.0 SECONDS, CPU UTILIZATION IS 106.05%
RHF RI MP2 ENERGY
ESCF= -4559.0662239807
E(2)= -7.6707797830
E(MP2)= -4566.7370037637
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.778702 13.576393 7.081950 16.745843
iFrag= 51 jFrag= 28 EFMOc= -4566.737003764
iFrag= 51 jFrag= 28 EFMOu= -4559.066223981 Tr= 0.000625254
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002839551
--------------------------------------
FINAL EFP ENERGY = -0.0002839551
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
3.912630 3.313886 2.522592 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.118423 7.164753 5.317650 9.827130
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-4.175633 -4.605399 3.802990 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
18.978289 -1.426080 0.419970 19.036427
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-0.131502 -0.645757 3.162791 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
23.096712 5.738673 5.737620 24.480824
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 18 12 corr= MP2 , LL1= 780 ID= 2267
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 18 12 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0599474021 -4559.0599474021 0.048822197 0.000000000 0.000000000 1.000000000 24508510 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0548612717 0.0050861304 0.012919685 0.004282593 0.000000000 0.000000000 24507594 0
3 2 0 -4559.0552622452 -0.0004009735 0.005276750 0.001290738 0.000000000 0.000000000 24500544 0
4 3 0 -4559.0553031290 -0.0000408838 0.000531616 0.000274440 0.000000000 0.000000000 24479658 0
5 4 0 -4559.0553047931 -0.0000016641 0.000192546 0.000133630 0.000000000 0.000000000 24250879 0
6 5 0 -4559.0553051356 -0.0000003425 0.000048919 0.000024544 0.000000000 0.000000000 24032711 0
7 6 0 -4559.0553051559 -0.0000000203 0.000012887 0.000004279 0.000000000 0.000000000 23756106 0
8 7 0 -4559.0553051567 -0.0000000008 0.000007025 0.000001918 0.000000000 0.000000000 23372235 0
9 8 0 -4559.0553051568 -0.0000000002 0.000001558 0.000000749 0.000000000 0.000000000 23290251 0
10 9 0 -4559.0553051569 -0.0000000000 0.000000279 0.000000221 0.000000000 0.000000000 23016741 0
11 10 0 -4559.0553051569 0.0000000000 0.000000105 0.000000035 0.000000000 0.000000000 22688521 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.0 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0553051569 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.67 TOTAL CPU TIME= 1297.8 ( 21.6 MIN)
TOTAL WALL CLOCK TIME= 1218.8 SECONDS, CPU UTILIZATION IS 106.48%
RHF RI MP2 ENERGY
ESCF= -4559.0553051569
E(2)= -7.6667666136
E(MP2)= -4566.7220717704
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
23.205645 5.625300 5.747760 24.559778
iFrag= 18 jFrag= 12 EFMOc= -4566.722071770
iFrag= 18 jFrag= 12 EFMOu= -4559.055305157 Tr= 0.000283955
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0005856202
--------------------------------------
FINAL EFP ENERGY = -0.0005856202
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
1.266940 -10.209123 6.763802 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.829701 -6.706330 -9.017231 13.150290
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
9.440542 -2.739730 -4.577614 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.095833 3.439278 10.754955 12.011391
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
5.353741 -6.474426 1.093094 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.733868 -3.267052 1.737724 4.600799
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 70 51 corr= MP2 , LL1= 780 ID= 2396
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 70 51 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.1101450123 -4559.1101450123 0.061219329 0.000000000 0.000000000 1.000000000 27003508 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0522904364 0.0578545758 0.008591542 0.005662916 0.000000000 0.000000000 27002866 0
3 2 0 -4559.0528132871 -0.0005228506 0.006394709 0.002057696 0.000000000 0.000000000 26992307 0
4 3 0 -4559.0529064992 -0.0000932122 0.000908374 0.000578976 0.000000000 0.000000000 26985958 0
5 4 0 -4559.0529130471 -0.0000065479 0.000330914 0.000141627 0.000000000 0.000000000 26840970 0
6 5 0 -4559.0529136523 -0.0000006052 0.000115447 0.000033919 0.000000000 0.000000000 26716486 0
7 6 0 -4559.0529136852 -0.0000000329 0.000024809 0.000009288 0.000000000 0.000000000 26537537 0
8 7 0 -4559.0529136877 -0.0000000025 0.000007111 0.000003526 0.000000000 0.000000000 26254030 0
9 8 0 -4559.0529136881 -0.0000000003 0.000002036 0.000001133 0.000000000 0.000000000 25963836 0
10 9 0 -4559.0529136881 0.0000000000 0.000000544 0.000000272 0.000000000 0.000000000 25741276 0
11 10 0 -4559.0529136881 -0.0000000000 0.000000142 0.000000066 0.000000000 0.000000000 25401985 0
12 11 0 -4559.0529136881 0.0000000000 0.000000043 0.000000023 0.000000000 0.000000000 25044090 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.2 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0529136881 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.88 TOTAL CPU TIME= 1315.6 ( 21.9 MIN)
TOTAL WALL CLOCK TIME= 1230.8 SECONDS, CPU UTILIZATION IS 106.90%
RHF RI MP2 ENERGY
ESCF= -4559.0529136881
E(2)= -7.6692417645
E(MP2)= -4566.7221554526
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.456744 -2.945345 1.738749 4.211164
iFrag= 70 jFrag= 51 EFMOc= -4566.722155453
iFrag= 70 jFrag= 51 EFMOu= -4559.052913688 Tr= 0.000585620
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002817368
--------------------------------------
FINAL EFP ENERGY = -0.0002817368
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-2.155538 2.945429 4.251406 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.065249 -7.301018 4.824512 10.111257
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-3.588109 -2.358332 -4.703904 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-4.255773 -0.315227 0.344660 4.281327
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-2.871824 0.293548 -0.226249 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.809476 -7.616245 5.169172 9.240280
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 72 42 corr= MP2 , LL1= 780 ID= 2526
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 72 42 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0334482089 -4559.0334482089 0.041600077 0.000000000 0.000000000 1.000000000 25039930 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0344614704 -0.0010132615 0.008638270 0.003745784 0.000000000 0.000000000 25038874 0
3 2 0 -4559.0346648880 -0.0002034177 0.003100338 0.001338932 0.000000000 0.000000000 25030399 0
4 3 0 -4559.0346819385 -0.0000170504 0.000524505 0.000473778 0.000000000 0.000000000 24991470 0
5 4 0 -4559.0346841442 -0.0000022058 0.000176351 0.000124049 0.000000000 0.000000000 24710799 0
6 5 0 -4559.0346842893 -0.0000001450 0.000075420 0.000029464 0.000000000 0.000000000 24516476 0
7 6 0 -4559.0346843080 -0.0000000187 0.000005274 0.000002790 0.000000000 0.000000000 24363365 0
8 7 0 -4559.0346843084 -0.0000000003 0.000003662 0.000001135 0.000000000 0.000000000 23863579 0
9 8 0 -4559.0346843085 -0.0000000001 0.000000625 0.000000412 0.000000000 0.000000000 23802723 0
10 9 0 -4559.0346843084 0.0000000000 0.000000148 0.000000165 0.000000000 0.000000000 23366791 0
11 10 0 -4559.0346843084 0.0000000000 0.000000103 0.000000031 0.000000000 0.000000000 23080910 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.0 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0346843084 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.65 TOTAL CPU TIME= 1333.3 ( 22.2 MIN)
TOTAL WALL CLOCK TIME= 1242.7 SECONDS, CPU UTILIZATION IS 107.29%
RHF RI MP2 ENERGY
ESCF= -4559.0346843084
E(2)= -7.6671362168
E(MP2)= -4566.7018205252
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.795496 -7.588374 5.173766 9.218681
iFrag= 72 jFrag= 42 EFMOc= -4566.701820525
iFrag= 72 jFrag= 42 EFMOu= -4559.034684308 Tr= 0.000281737
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0007106437
--------------------------------------
FINAL EFP ENERGY = -0.0007106437
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
4.849302 -0.781016 7.940513 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.435423 -1.558148 -9.561993 11.108706
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.580385 -2.261774 -2.293038 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.417121 2.687445 4.982557 5.835792
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.134459 -1.521395 2.823738 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.852544 1.129297 -4.579435 8.318888
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 104 55 corr= MP2 , LL1= 780 ID= 2653
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 104 55 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0827996378 -4559.0827996378 0.032874059 0.000000000 0.000000000 1.000000000 28759786 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0655117859 0.0172878520 0.007624836 0.004439576 0.000000000 0.000000000 28757494 0
3 2 0 -4559.0659268248 -0.0004150389 0.003319959 0.001324799 0.000000000 0.000000000 28742489 0
4 3 0 -4559.0659767859 -0.0000499611 0.000736504 0.000499821 0.000000000 0.000000000 28689389 0
5 4 0 -4559.0659811137 -0.0000043278 0.000201643 0.000095411 0.000000000 0.000000000 28512976 0
6 5 0 -4559.0659815262 -0.0000004126 0.000120969 0.000036718 0.000000000 0.000000000 28245202 0
7 6 0 -4559.0659815747 -0.0000000485 0.000026910 0.000009747 0.000000000 0.000000000 28135054 0
8 7 0 -4559.0659815767 -0.0000000019 0.000010101 0.000003367 0.000000000 0.000000000 27824206 0
9 8 0 -4559.0659815769 -0.0000000003 0.000001942 0.000000993 0.000000000 0.000000000 27629196 0
10 9 0 -4559.0659815770 -0.0000000000 0.000000557 0.000000273 0.000000000 0.000000000 27224520 0
11 10 0 -4559.0659815770 -0.0000000000 0.000000131 0.000000047 0.000000000 0.000000000 26944003 0
12 11 0 -4559.0659815770 0.0000000000 0.000000072 0.000000018 0.000000000 0.000000000 26608190 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.3 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0659815770 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.95 TOTAL CPU TIME= 1351.2 ( 22.5 MIN)
TOTAL WALL CLOCK TIME= 1254.7 SECONDS, CPU UTILIZATION IS 107.70%
RHF RI MP2 ENERGY
ESCF= -4559.0659815770
E(2)= -7.6703035487
E(MP2)= -4566.7362851256
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.782884 0.964746 -4.584066 8.243295
iFrag= 104 jFrag= 55 EFMOc= -4566.736285126
iFrag= 104 jFrag= 55 EFMOu= -4559.065981577 Tr= 0.000710644
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002268250
--------------------------------------
FINAL EFP ENERGY = -0.0002268250
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
1.293073 1.884421 0.554097 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
13.848453 14.105471 -2.269117 19.897056
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
3.470318 0.296228 -2.137017 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.702578 10.109004 -1.320096 10.219013
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.381696 1.090324 -0.791460 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
14.551030 24.214475 -3.589213 28.477284
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 76 8 corr= MP2 , LL1= 780 ID= 2782
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 76 8 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0536343403 -4559.0536343403 0.060357424 0.000000000 0.000000000 1.000000000 26164547 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0479842654 0.0056500749 0.015425743 0.003974327 0.000000000 0.000000000 26163968 0
3 2 0 -4559.0483507146 -0.0003664492 0.006613389 0.001323478 0.000000000 0.000000000 26160058 0
4 3 0 -4559.0483930205 -0.0000423059 0.000882172 0.000475878 0.000000000 0.000000000 26146002 0
5 4 0 -4559.0483956669 -0.0000026463 0.000310116 0.000152803 0.000000000 0.000000000 25975934 0
6 5 0 -4559.0483960006 -0.0000003337 0.000100837 0.000023265 0.000000000 0.000000000 25828047 0
7 6 0 -4559.0483960262 -0.0000000257 0.000029168 0.000005126 0.000000000 0.000000000 25670922 0
8 7 0 -4559.0483960277 -0.0000000015 0.000010405 0.000003078 0.000000000 0.000000000 25447127 0
9 8 0 -4559.0483960279 -0.0000000002 0.000002496 0.000001160 0.000000000 0.000000000 25246894 0
10 9 0 -4559.0483960280 -0.0000000000 0.000000551 0.000000340 0.000000000 0.000000000 25044729 0
11 10 0 -4559.0483960280 -0.0000000000 0.000000122 0.000000046 0.000000000 0.000000000 24720058 0
12 11 0 -4559.0483960280 0.0000000000 0.000000047 0.000000016 0.000000000 0.000000000 24509515 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.2 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0483960280 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.87 TOTAL CPU TIME= 1369.1 ( 22.8 MIN)
TOTAL WALL CLOCK TIME= 1266.6 SECONDS, CPU UTILIZATION IS 108.09%
RHF RI MP2 ENERGY
ESCF= -4559.0483960280
E(2)= -7.6718092812
E(MP2)= -4566.7202053092
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
14.607120 24.031401 -3.645728 28.357848
iFrag= 76 jFrag= 8 EFMOc= -4566.720205309
iFrag= 76 jFrag= 8 EFMOu= -4559.048396028 Tr= 0.000226825
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002138251
--------------------------------------
FINAL EFP ENERGY = -0.0002138251
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-0.180792 0.988478 4.612620 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-9.807925 -0.730076 3.603728 10.474505
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
0.868817 2.643422 -1.817194 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.863562 7.055857 15.900524 17.495275
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.344013 1.815950 1.397713 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-11.671487 6.325781 19.504252 23.593536
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 77 68 corr= MP2 , LL1= 780 ID= 2917
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 77 68 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0551672198 -4559.0551672198 0.024917128 0.000000000 0.000000000 1.000000000 25260978 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0511091987 0.0040580211 0.007242655 0.002480029 0.000000000 0.000000000 25258113 0
3 2 0 -4559.0512405890 -0.0001313903 0.004361702 0.001094329 0.000000000 0.000000000 25246790 0
4 3 0 -4559.0512621105 -0.0000215215 0.000714447 0.000385818 0.000000000 0.000000000 25228221 0
5 4 0 -4559.0512639601 -0.0000018496 0.000189240 0.000067296 0.000000000 0.000000000 25000926 0
6 5 0 -4559.0512640329 -0.0000000728 0.000071805 0.000020674 0.000000000 0.000000000 24740533 0
7 6 0 -4559.0512640422 -0.0000000093 0.000013725 0.000005033 0.000000000 0.000000000 24570007 0
8 7 0 -4559.0512640426 -0.0000000004 0.000004522 0.000002305 0.000000000 0.000000000 24171329 0
9 8 0 -4559.0512640427 -0.0000000001 0.000001195 0.000000385 0.000000000 0.000000000 23915569 0
10 9 0 -4559.0512640427 -0.0000000000 0.000000250 0.000000107 0.000000000 0.000000000 23578144 0
11 10 0 -4559.0512640427 0.0000000000 0.000000045 0.000000026 0.000000000 0.000000000 23152098 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.0 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0512640427 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.75 TOTAL CPU TIME= 1386.9 ( 23.1 MIN)
TOTAL WALL CLOCK TIME= 1278.7 SECONDS, CPU UTILIZATION IS 108.46%
RHF RI MP2 ENERGY
ESCF= -4559.0512640427
E(2)= -7.6641504944
E(MP2)= -4566.7154145371
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-11.628598 6.202457 19.363561 23.423113
iFrag= 77 jFrag= 68 EFMOc= -4566.715414537
iFrag= 77 jFrag= 68 EFMOu= -4559.051264043 Tr= 0.000213825
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0003894631
--------------------------------------
FINAL EFP ENERGY = -0.0003894631
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-1.315202 -11.160610 4.621611 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.748630 -10.165373 0.000067 10.314675
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
0.177364 4.303952 -0.441470 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.419072 -10.734678 6.424217 14.544638
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-0.568919 -3.428329 2.090070 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.167702 -20.900051 6.424284 23.709288
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 79 44 corr= MP2 , LL1= 780 ID= 3046
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 79 44 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0844486871 -4559.0844486871 0.051114602 0.000000000 0.000000000 1.000000000 28327440 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0531026100 0.0313460771 0.012460906 0.003868136 0.000000000 0.000000000 28326543 0
3 2 0 -4559.0536666910 -0.0005640810 0.006012587 0.001444751 0.000000000 0.000000000 28317969 0
4 3 0 -4559.0537430743 -0.0000763833 0.000911655 0.000554304 0.000000000 0.000000000 28298172 0
5 4 0 -4559.0537510369 -0.0000079626 0.000368953 0.000125892 0.000000000 0.000000000 28086379 0
6 5 0 -4559.0537517436 -0.0000007067 0.000183320 0.000045123 0.000000000 0.000000000 27902420 0
7 6 0 -4559.0537518287 -0.0000000851 0.000022720 0.000009299 0.000000000 0.000000000 27746690 0
8 7 0 -4559.0537518311 -0.0000000025 0.000008582 0.000004409 0.000000000 0.000000000 27217550 0
9 8 0 -4559.0537518316 -0.0000000005 0.000002486 0.000000735 0.000000000 0.000000000 27004980 0
10 9 0 -4559.0537518317 -0.0000000000 0.000000591 0.000000142 0.000000000 0.000000000 26773711 0
11 10 0 -4559.0537518316 0.0000000000 0.000000172 0.000000049 0.000000000 0.000000000 26389686 0
12 11 0 -4559.0537518316 0.0000000000 0.000000046 0.000000012 0.000000000 0.000000000 26117216 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.2 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0537518316 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 18.00 TOTAL CPU TIME= 1404.9 ( 23.4 MIN)
TOTAL WALL CLOCK TIME= 1290.8 SECONDS, CPU UTILIZATION IS 108.84%
RHF RI MP2 ENERGY
ESCF= -4559.0537518316
E(2)= -7.6710926597
E(MP2)= -4566.7248444913
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.182397 -20.735274 6.369783 23.555087
iFrag= 79 jFrag= 44 EFMOc= -4566.724844491
iFrag= 79 jFrag= 44 EFMOu= -4559.053751832 Tr= 0.000389463
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0003254016
--------------------------------------
FINAL EFP ENERGY = -0.0003254016
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
8.125845 -5.876906 -6.938273 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.001152 3.757736 -0.505969 4.287330
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.693019 12.693012 -0.101654 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
8.013412 4.864438 -4.026568 10.202489
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
4.909432 3.408053 -3.519964 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.014565 8.622174 -4.532537 13.970586
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 81 20 corr= MP2 , LL1= 780 ID= 3179
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 81 20 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0421805869 -4559.0421805869 0.044108384 0.000000000 0.000000000 1.000000000 26304979 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0371242993 0.0050562876 0.013698130 0.004322096 0.000000000 0.000000000 26304160 0
3 2 0 -4559.0374307628 -0.0003064635 0.006926637 0.001371483 0.000000000 0.000000000 26298383 0
4 3 0 -4559.0374724031 -0.0000416403 0.000924908 0.000744876 0.000000000 0.000000000 26286902 0
5 4 0 -4559.0374763467 -0.0000039437 0.000296864 0.000090466 0.000000000 0.000000000 26121579 0
6 5 0 -4559.0374765825 -0.0000002357 0.000075873 0.000025333 0.000000000 0.000000000 25952218 0
7 6 0 -4559.0374766084 -0.0000000259 0.000015929 0.000005039 0.000000000 0.000000000 25708433 0
8 7 0 -4559.0374766092 -0.0000000009 0.000008155 0.000002227 0.000000000 0.000000000 25372842 0
9 8 0 -4559.0374766094 -0.0000000002 0.000001559 0.000000781 0.000000000 0.000000000 25249985 0
10 9 0 -4559.0374766094 0.0000000000 0.000000269 0.000000134 0.000000000 0.000000000 24774986 0
11 10 0 -4559.0374766094 0.0000000000 0.000000182 0.000000037 0.000000000 0.000000000 24317201 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.0 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0374766094 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.70 TOTAL CPU TIME= 1422.6 ( 23.7 MIN)
TOTAL WALL CLOCK TIME= 1302.7 SECONDS, CPU UTILIZATION IS 109.20%
RHF RI MP2 ENERGY
ESCF= -4559.0374766094
E(2)= -7.6679216068
E(MP2)= -4566.7053982162
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.023617 8.611746 -4.520205 13.966651
iFrag= 81 jFrag= 20 EFMOc= -4566.705398216
iFrag= 81 jFrag= 20 EFMOu= -4559.037476609 Tr= 0.000325402
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002256001
--------------------------------------
FINAL EFP ENERGY = -0.0002256001
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-4.686738 -2.125229 6.533275 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.829609 12.641223 7.775184 16.779654
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
0.868817 2.643422 -1.817194 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.883173 7.054848 15.926234 17.520335
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.908961 0.259096 2.358040 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.946436 19.696072 23.701418 31.385547
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 82 68 corr= MP2 , LL1= 780 ID= 3307
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 82 68 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0576659280 -4559.0576659280 0.049751176 0.000000000 0.000000000 1.000000000 21910834 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0463555771 0.0113103509 0.013782699 0.004893779 0.000000000 0.000000000 21910359 0
3 2 0 -4559.0467514217 -0.0003958445 0.006993023 0.001574713 0.000000000 0.000000000 21906335 0
4 3 0 -4559.0468092613 -0.0000578396 0.001308238 0.000588512 0.000000000 0.000000000 21900403 0
5 4 0 -4559.0468137191 -0.0000044578 0.000333555 0.000187509 0.000000000 0.000000000 21806159 0
6 5 0 -4559.0468141116 -0.0000003925 0.000083952 0.000036445 0.000000000 0.000000000 21661704 0
7 6 0 -4559.0468141473 -0.0000000357 0.000023095 0.000008015 0.000000000 0.000000000 21512698 0
8 7 0 -4559.0468141489 -0.0000000016 0.000009322 0.000003416 0.000000000 0.000000000 21350994 0
9 8 0 -4559.0468141492 -0.0000000003 0.000002434 0.000001175 0.000000000 0.000000000 21230582 0
10 9 0 -4559.0468141493 -0.0000000000 0.000000434 0.000000157 0.000000000 0.000000000 21058206 0
11 10 0 -4559.0468141493 0.0000000000 0.000000139 0.000000046 0.000000000 0.000000000 20773964 0
12 11 0 -4559.0468141492 0.0000000000 0.000000037 0.000000018 0.000000000 0.000000000 20629699 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.1 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0468141492 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.83 TOTAL CPU TIME= 1440.4 ( 24.0 MIN)
TOTAL WALL CLOCK TIME= 1314.6 SECONDS, CPU UTILIZATION IS 109.57%
RHF RI MP2 ENERGY
ESCF= -4559.0468141492
E(2)= -7.6667340482
E(MP2)= -4566.7135481974
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.043067 19.700985 23.682117 31.392518
iFrag= 82 jFrag= 68 EFMOc= -4566.713548197
iFrag= 82 jFrag= 68 EFMOu= -4559.046814149 Tr= 0.000225600
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0001562544
--------------------------------------
FINAL EFP ENERGY = -0.0001562544
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-4.770428 0.085482 6.856826 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.679081 9.960369 -0.484973 11.475892
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
4.227568 -3.127243 -6.925006 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.536010 -8.454341 5.865427 10.880371
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-0.271430 -1.520880 -0.034090 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.143071 1.506027 5.380454 5.984159
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 84 35 corr= MP2 , LL1= 780 ID= 3437
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 84 35 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0682412639 -4559.0682412639 0.032569777 0.000000000 0.000000000 1.000000000 22976648 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0644035684 0.0038376955 0.008702361 0.003105661 0.000000000 0.000000000 22975617 0
3 2 0 -4559.0645591446 -0.0001555762 0.004909112 0.001231287 0.000000000 0.000000000 22968175 0
4 3 0 -4559.0645846574 -0.0000255127 0.000839834 0.000584674 0.000000000 0.000000000 22955097 0
5 4 0 -4559.0645866522 -0.0000019949 0.000193657 0.000082881 0.000000000 0.000000000 22802667 0
6 5 0 -4559.0645867176 -0.0000000654 0.000049832 0.000021540 0.000000000 0.000000000 22587926 0
7 6 0 -4559.0645867248 -0.0000000071 0.000009529 0.000005470 0.000000000 0.000000000 22419878 0
8 7 0 -4559.0645867250 -0.0000000002 0.000004545 0.000002274 0.000000000 0.000000000 22197685 0
9 8 0 -4559.0645867251 -0.0000000001 0.000000774 0.000000244 0.000000000 0.000000000 22061168 0
10 9 0 -4559.0645867251 -0.0000000000 0.000000280 0.000000075 0.000000000 0.000000000 21705263 0
11 10 0 -4559.0645867251 0.0000000000 0.000000058 0.000000018 0.000000000 0.000000000 21523738 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.0 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0645867251 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.61 TOTAL CPU TIME= 1458.0 ( 24.3 MIN)
TOTAL WALL CLOCK TIME= 1326.3 SECONDS, CPU UTILIZATION IS 109.93%
RHF RI MP2 ENERGY
ESCF= -4559.0645867251
E(2)= -7.6653180868
E(MP2)= -4566.7299048118
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.367616 1.544744 5.271626 5.981795
iFrag= 84 jFrag= 35 EFMOc= -4566.729904812
iFrag= 84 jFrag= 35 EFMOu= -4559.064586725 Tr= 0.000156254
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0001961553
--------------------------------------
FINAL EFP ENERGY = -0.0001961553
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-3.934245 -1.977295 3.930397 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-7.610032 8.182356 2.716642 11.499725
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-13.373471 0.358536 -6.147044 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-9.212008 -13.197121 -10.932662 19.456315
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-8.653858 -0.809380 -1.108323 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-16.822040 -5.014765 -8.216020 19.381225
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 85 78 corr= MP2 , LL1= 780 ID= 3563
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 85 78 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0152801196 -4559.0152801196 0.029556791 0.000000000 0.000000000 1.000000000 27018721 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0094826410 0.0057974787 0.005551204 0.001389489 0.000000000 0.000000000 27016222 0
3 2 0 -4559.0095452737 -0.0000626327 0.002183061 0.000481312 0.000000000 0.000000000 26995312 0
4 3 0 -4559.0095524012 -0.0000071275 0.000320535 0.000143596 0.000000000 0.000000000 26943848 0
5 4 0 -4559.0095529342 -0.0000005330 0.000163060 0.000043139 0.000000000 0.000000000 26627715 0
6 5 0 -4559.0095530166 -0.0000000824 0.000068710 0.000012378 0.000000000 0.000000000 26521584 0
7 6 0 -4559.0095530245 -0.0000000080 0.000011571 0.000002534 0.000000000 0.000000000 26378617 0
8 7 0 -4559.0095530248 -0.0000000003 0.000004049 0.000000810 0.000000000 0.000000000 26053000 0
9 8 0 -4559.0095530249 -0.0000000000 0.000000899 0.000000399 0.000000000 0.000000000 25814063 0
10 9 0 -4559.0095530248 0.0000000000 0.000000163 0.000000073 0.000000000 0.000000000 25420742 0
11 10 0 -4559.0095530249 -0.0000000000 0.000000094 0.000000019 0.000000000 0.000000000 25006641 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.1 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0095530249 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.68 TOTAL CPU TIME= 1475.7 ( 24.6 MIN)
TOTAL WALL CLOCK TIME= 1338.2 SECONDS, CPU UTILIZATION IS 110.27%
RHF RI MP2 ENERGY
ESCF= -4559.0095530249
E(2)= -7.6699900808
E(MP2)= -4566.6795431057
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-16.733630 -5.032636 -8.129302 19.272450
iFrag= 85 jFrag= 78 EFMOc= -4566.679543106
iFrag= 85 jFrag= 78 EFMOu= -4559.009553025 Tr= 0.000196155
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0006401928
--------------------------------------
FINAL EFP ENERGY = -0.0006401928
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
4.244807 7.791423 -7.922690 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.224091 7.523605 3.262131 10.928569
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-8.197283 -5.146932 -7.080985 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.761053 8.862139 -3.699473 11.744592
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.976238 1.322246 -7.501837 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.463037 16.385744 -0.437342 16.398118
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 87 36 corr= MP2 , LL1= 780 ID= 3690
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 87 36 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0370143368 -4559.0370143368 0.050719674 0.000000000 0.000000000 1.000000000 39477796 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0056987633 0.0313155735 0.015193189 0.005602016 0.000000000 0.000000000 39476116 0
3 2 0 -4559.0064089895 -0.0007102263 0.007512180 0.001970060 0.000000000 0.000000000 39465707 0
4 3 0 -4559.0065046225 -0.0000956330 0.001567651 0.000646239 0.000000000 0.000000000 39445273 0
5 4 0 -4559.0065128311 -0.0000082085 0.000351683 0.000136970 0.000000000 0.000000000 39249522 0
6 5 0 -4559.0065135268 -0.0000006958 0.000150706 0.000037383 0.000000000 0.000000000 38800445 0
7 6 0 -4559.0065135947 -0.0000000678 0.000027901 0.000009262 0.000000000 0.000000000 38518955 0
8 7 0 -4559.0065135973 -0.0000000026 0.000011704 0.000003356 0.000000000 0.000000000 37764804 0
9 8 0 -4559.0065135977 -0.0000000005 0.000002517 0.000001132 0.000000000 0.000000000 37409637 0
10 9 0 -4559.0065135978 -0.0000000000 0.000000376 0.000000145 0.000000000 0.000000000 36832629 0
11 10 0 -4559.0065135977 0.0000000000 0.000000207 0.000000048 0.000000000 0.000000000 35955567 0
----------------
ENERGY CONVERGED
----------------
TIME TO FORM FOCK OPERATORS= 2.3 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0065135977 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.92 TOTAL CPU TIME= 1493.6 ( 24.9 MIN)
TOTAL WALL CLOCK TIME= 1350.2 SECONDS, CPU UTILIZATION IS 110.62%
RHF RI MP2 ENERGY
ESCF= -4559.0065135977
E(2)= -7.6746921727
E(MP2)= -4566.6812057705
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.453162 16.319198 -0.457426 16.331896
iFrag= 87 jFrag= 36 EFMOc= -4566.681205770
iFrag= 87 jFrag= 36 EFMOu= -4559.006513598 Tr= 0.000640193
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0003641665
--------------------------------------
FINAL EFP ENERGY = -0.0003641665
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
2.030975 -0.997623 4.857671 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
14.622324 10.061260 11.942021 21.392830
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-1.249873 3.545646 -4.689094 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.659089 3.019151 2.927826 5.574619
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.390551 1.274011 0.084288 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
18.281413 13.080412 14.869847 26.952172
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 88 80 corr= MP2 , LL1= 780 ID= 3820
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 88 80 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0812081132 -4559.0812081132 0.097052244 0.000000000 0.000000000 1.000000000 23078442 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0209482176 0.0602598956 0.005204271 0.004703190 0.000000000 0.000000000 23078330 0
3 2 0 -4559.0212430731 -0.0002948555 0.002529907 0.001529228 0.000000000 0.000000000 23067427 0
4 3 0 -4559.0212752511 -0.0000321780 0.000674330 0.000700240 0.000000000 0.000000000 23047871 0
5 4 0 -4559.0212789071 -0.0000036560 0.000121866 0.000092344 0.000000000 0.000000000 22955366 0
6 5 0 -4559.0212790779 -0.0000001708 0.000095417 0.000035403 0.000000000 0.000000000 22710171 0
7 6 0 -4559.0212791048 -0.0000000269 0.000011330 0.000010180 0.000000000 0.000000000 22671571 0
8 7 0 -4559.0212791057 -0.0000000009 0.000004394 0.000001767 0.000000000 0.000000000 22443893 0
9 8 0 -4559.0212791057 -0.0000000001 0.000001317 0.000000488 0.000000000 0.000000000 22348401 0
10 9 0 -4559.0212791057 0.0000000000 0.000000424 0.000000302 0.000000000 0.000000000 22208898 0
11 10 0 -4559.0212791057 -0.0000000000 0.000000199 0.000000065 0.000000000 0.000000000 22042427 0
12 11 0 -4559.0212791057 0.0000000000 0.000000031 0.000000016 0.000000000 0.000000000 21875011 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.1 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0212791057 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.82 TOTAL CPU TIME= 1511.4 ( 25.2 MIN)
TOTAL WALL CLOCK TIME= 1362.1 SECONDS, CPU UTILIZATION IS 110.96%
RHF RI MP2 ENERGY
ESCF= -4559.0212791057
E(2)= -7.6662626379
E(MP2)= -4566.6875417436
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
18.230294 13.093817 14.884211 26.931977
iFrag= 88 jFrag= 80 EFMOc= -4566.687541744
iFrag= 88 jFrag= 80 EFMOu= -4559.021279106 Tr= 0.000364166
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0005963196
--------------------------------------
FINAL EFP ENERGY = -0.0005963196
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-1.445846 2.095017 -1.260064 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-10.836203 -1.947139 15.490583 19.004547
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-8.197283 -5.146932 -7.080985 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.876712 8.896678 -3.850449 11.885537
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-4.821565 -1.525958 -4.170524 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-17.712914 6.949539 11.640134 22.305518
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 90 36 corr= MP2 , LL1= 780 ID= 3951
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 90 36 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0190658605 -4559.0190658605 0.033473738 0.000000000 0.000000000 1.000000000 32081674 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0110609011 0.0080049595 0.006855551 0.001671029 0.000000000 0.000000000 32078284 0
3 2 0 -4559.0112978873 -0.0002369862 0.003479397 0.000654375 0.000000000 0.000000000 32051844 0
4 3 0 -4559.0113291157 -0.0000312285 0.000657392 0.000365521 0.000000000 0.000000000 32013115 0
5 4 0 -4559.0113326211 -0.0000035054 0.000205857 0.000074506 0.000000000 0.000000000 31782682 0
6 5 0 -4559.0113328674 -0.0000002462 0.000094936 0.000025784 0.000000000 0.000000000 31508525 0
7 6 0 -4559.0113328950 -0.0000000277 0.000018106 0.000004387 0.000000000 0.000000000 31258946 0
8 7 0 -4559.0113328960 -0.0000000010 0.000007391 0.000001962 0.000000000 0.000000000 30726822 0
9 8 0 -4559.0113328962 -0.0000000002 0.000001381 0.000000808 0.000000000 0.000000000 30489574 0
10 9 0 -4559.0113328962 -0.0000000000 0.000000489 0.000000144 0.000000000 0.000000000 29962195 0
11 10 0 -4559.0113328962 0.0000000000 0.000000206 0.000000053 0.000000000 0.000000000 29639000 0
12 11 0 -4559.0113328962 0.0000000000 0.000000055 0.000000012 0.000000000 0.000000000 29335543 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.3 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0113328962 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.99 TOTAL CPU TIME= 1529.4 ( 25.5 MIN)
TOTAL WALL CLOCK TIME= 1374.3 SECONDS, CPU UTILIZATION IS 111.29%
RHF RI MP2 ENERGY
ESCF= -4559.0113328962
E(2)= -7.6684567917
E(MP2)= -4566.6797896879
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-17.889621 6.845159 11.708222 22.449437
iFrag= 90 jFrag= 36 EFMOc= -4566.679789688
iFrag= 90 jFrag= 36 EFMOu= -4559.011332896 Tr= 0.000596320
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0004254505
--------------------------------------
FINAL EFP ENERGY = -0.0004254505
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
0.050795 5.003362 6.329987 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.590626 -7.736119 -1.185727 8.610812
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-1.249873 3.545646 -4.689094 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.746395 3.070194 2.992530 5.693576
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-0.599539 4.274504 0.820446 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.337022 -4.665925 1.806802 8.880725
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 91 80 corr= MP2 , LL1= 780 ID= 4084
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 91 80 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0647357375 -4559.0647357375 0.055391663 0.000000000 0.000000000 1.000000000 27644905 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0610681940 0.0036675435 0.012729322 0.003382968 0.000000000 0.000000000 27644313 0
3 2 0 -4559.0614959019 -0.0004277079 0.005233251 0.001193789 0.000000000 0.000000000 27639164 0
4 3 0 -4559.0615461577 -0.0000502558 0.000835283 0.000381595 0.000000000 0.000000000 27623809 0
5 4 0 -4559.0615491745 -0.0000030168 0.000268477 0.000143648 0.000000000 0.000000000 27496795 0
6 5 0 -4559.0615496064 -0.0000004319 0.000117025 0.000023122 0.000000000 0.000000000 27364062 0
7 6 0 -4559.0615496409 -0.0000000345 0.000027775 0.000005574 0.000000000 0.000000000 27243199 0
8 7 0 -4559.0615496427 -0.0000000018 0.000010319 0.000002050 0.000000000 0.000000000 26972216 0
9 8 0 -4559.0615496430 -0.0000000003 0.000001946 0.000000995 0.000000000 0.000000000 26784465 0
10 9 0 -4559.0615496430 -0.0000000000 0.000000540 0.000000330 0.000000000 0.000000000 26494123 0
11 10 0 -4559.0615496431 -0.0000000000 0.000000171 0.000000051 0.000000000 0.000000000 26248962 0
12 11 0 -4559.0615496430 0.0000000000 0.000000066 0.000000015 0.000000000 0.000000000 25977281 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.2 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0615496430 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 18.02 TOTAL CPU TIME= 1547.4 ( 25.8 MIN)
TOTAL WALL CLOCK TIME= 1386.7 SECONDS, CPU UTILIZATION IS 111.59%
RHF RI MP2 ENERGY
ESCF= -4559.0615496430
E(2)= -7.6692296234
E(MP2)= -4566.7307792664
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.436695 -4.613178 1.983918 8.973392
iFrag= 91 jFrag= 80 EFMOc= -4566.730779266
iFrag= 91 jFrag= 80 EFMOu= -4559.061549643 Tr= 0.000425451
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002446528
--------------------------------------
FINAL EFP ENERGY = -0.0002446528
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-5.281253 -0.245402 -3.107605 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.469224 -7.782517 0.358088 7.804869
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-13.373471 0.358536 -6.147044 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-9.257255 -13.197670 -10.983340 19.506640
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-9.327362 0.056567 -4.627325 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-8.788031 -20.980187 -10.625252 25.105651
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 157 78 corr= MP2 , LL1= 780 ID= 4215
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 157 78 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0400333676 -4559.0400333676 0.035946786 0.000000000 0.000000000 1.000000000 26673641 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0377140095 0.0023193581 0.009974509 0.003126068 0.000000000 0.000000000 26671573 0
3 2 0 -4559.0378333936 -0.0001193840 0.004820718 0.000900308 0.000000000 0.000000000 26660998 0
4 3 0 -4559.0378494171 -0.0000160235 0.000560415 0.000382145 0.000000000 0.000000000 26637353 0
5 4 0 -4559.0378505355 -0.0000011185 0.000232993 0.000086623 0.000000000 0.000000000 26368078 0
6 5 0 -4559.0378506309 -0.0000000953 0.000036395 0.000013992 0.000000000 0.000000000 26151692 0
7 6 0 -4559.0378506373 -0.0000000065 0.000012374 0.000003062 0.000000000 0.000000000 25848291 0
8 7 0 -4559.0378506378 -0.0000000004 0.000004245 0.000002064 0.000000000 0.000000000 25582738 0
9 8 0 -4559.0378506378 -0.0000000000 0.000001203 0.000000718 0.000000000 0.000000000 25251925 0
10 9 0 -4559.0378506378 -0.0000000000 0.000000280 0.000000209 0.000000000 0.000000000 24911156 0
11 10 0 -4559.0378506378 0.0000000000 0.000000081 0.000000031 0.000000000 0.000000000 24445482 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.1 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0378506378 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.82 TOTAL CPU TIME= 1565.2 ( 26.1 MIN)
TOTAL WALL CLOCK TIME= 1398.6 SECONDS, CPU UTILIZATION IS 111.91%
RHF RI MP2 ENERGY
ESCF= -4559.0378506378
E(2)= -7.6672109212
E(MP2)= -4566.7050615590
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-8.721181 -20.922978 -10.799792 25.109072
iFrag= 157 jFrag= 78 EFMOc= -4566.705061559
iFrag= 157 jFrag= 78 EFMOu= -4559.037850638 Tr= 0.000244653
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0001776038
--------------------------------------
FINAL EFP ENERGY = -0.0001776038
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
9.074503 -5.744034 -0.086006 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-13.188163 8.455297 -6.652203 17.019739
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-3.190855 -3.301884 0.021740 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
8.668371 13.531497 -1.503517 16.140094
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.941824 -4.522959 -0.032133 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-4.519793 21.986794 -8.155721 23.882282
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 67 47 corr= MP2 , LL1= 780 ID= 4349
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 67 47 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0789437573 -4559.0789437573 0.068575692 0.000000000 0.000000000 1.000000000 22952909 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0491933934 0.0297503640 0.008388750 0.004034434 0.000000000 0.000000000 22952420 0
3 2 0 -4559.0494162643 -0.0002228709 0.004952028 0.001584403 0.000000000 0.000000000 22941792 0
4 3 0 -4559.0494529287 -0.0000366644 0.001175538 0.000519331 0.000000000 0.000000000 22925879 0
5 4 0 -4559.0494569836 -0.0000040550 0.000403939 0.000146533 0.000000000 0.000000000 22816668 0
6 5 0 -4559.0494573775 -0.0000003939 0.000117857 0.000033706 0.000000000 0.000000000 22658051 0
7 6 0 -4559.0494574053 -0.0000000278 0.000016972 0.000006148 0.000000000 0.000000000 22513696 0
8 7 0 -4559.0494574063 -0.0000000010 0.000005336 0.000002808 0.000000000 0.000000000 22076841 0
9 8 0 -4559.0494574065 -0.0000000001 0.000001555 0.000001099 0.000000000 0.000000000 21873848 0
10 9 0 -4559.0494574065 -0.0000000000 0.000000307 0.000000125 0.000000000 0.000000000 21607042 0
11 10 0 -4559.0494574065 -0.0000000000 0.000000154 0.000000039 0.000000000 0.000000000 21283031 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.0 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0494574065 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.94 TOTAL CPU TIME= 1583.2 ( 26.4 MIN)
TOTAL WALL CLOCK TIME= 1410.7 SECONDS, CPU UTILIZATION IS 112.23%
RHF RI MP2 ENERGY
ESCF= -4559.0494574065
E(2)= -7.6640125676
E(MP2)= -4566.7134699741
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-4.478874 22.089789 -8.287981 24.014781
iFrag= 67 jFrag= 47 EFMOc= -4566.713469974
iFrag= 67 jFrag= 47 EFMOu= -4559.049457407 Tr= 0.000177604
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0000522571
--------------------------------------
FINAL EFP ENERGY = -0.0000522571
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-0.088995 4.423931 0.046680 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.451215 14.389859 -11.580326 18.999613
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-4.175633 -4.605399 3.802990 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
18.953196 -1.290795 0.407765 19.001475
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-2.132314 -0.090734 1.924835 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
23.404410 13.099064 -11.172562 29.054742
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 96 12 corr= MP2 , LL1= 780 ID= 4476
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 96 12 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4558.9984649806 -4558.9984649806 0.002281244 0.000000000 0.000000000 1.000000000 21141295 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4558.9985159650 -0.0000509844 0.000661432 0.000322028 0.000000000 0.000000000 21100077 0
3 2 0 -4558.9985204239 -0.0000044589 0.000469748 0.000111643 0.000000000 0.000000000 21020210 0
4 3 0 -4558.9985212117 -0.0000007878 0.000062994 0.000048467 0.000000000 0.000000000 20987174 0
5 4 0 -4558.9985212717 -0.0000000600 0.000025992 0.000013305 0.000000000 0.000000000 20741050 0
6 5 0 -4558.9985212755 -0.0000000038 0.000009551 0.000003887 0.000000000 0.000000000 20638851 0
7 6 0 -4558.9985212759 -0.0000000005 0.000001585 0.000000896 0.000000000 0.000000000 20515344 0
8 7 0 -4558.9985212759 -0.0000000000 0.000000468 0.000000277 0.000000000 0.000000000 20279031 0
9 8 0 -4558.9985212759 0.0000000000 0.000000085 0.000000042 0.000000000 0.000000000 20049417 0
10 9 0 -4558.9985212760 -0.0000000000 0.000000040 0.000000017 0.000000000 0.000000000 19826965 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 1.8 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.5 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4558.9985212760 AFTER 10 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.59 TOTAL CPU TIME= 1600.8 ( 26.7 MIN)
TOTAL WALL CLOCK TIME= 1422.1 SECONDS, CPU UTILIZATION IS 112.56%
RHF RI MP2 ENERGY
ESCF= -4558.9985212760
E(2)= -7.6658322504
E(MP2)= -4566.6643535264
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
23.404425 13.099264 -11.172559 29.054843
iFrag= 96 jFrag= 12 EFMOc= -4566.664353526
iFrag= 96 jFrag= 12 EFMOu= -4558.998521276 Tr= 0.000052257
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0007043309
--------------------------------------
FINAL EFP ENERGY = -0.0007043309
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-2.153410 3.002240 2.231531 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-18.419579 -0.090376 -7.202683 19.777960
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.308744 4.843723 -9.490749 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.464312 -12.463655 -5.021620 14.911295
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-0.422333 3.922982 -3.629609 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-11.955267 -12.554031 -12.224303 21.212395
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 97 40 corr= MP2 , LL1= 780 ID= 4599
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 97 40 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0192403558 -4559.0192403558 0.046617839 0.000000000 0.000000000 1.000000000 28852728 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4558.9804819166 0.0387584392 0.012136911 0.005022173 0.000000000 0.000000000 28851936 0
3 2 0 -4558.9810129146 -0.0005309980 0.005966840 0.001663386 0.000000000 0.000000000 28844633 0
4 3 0 -4558.9810744126 -0.0000614980 0.000759991 0.000536884 0.000000000 0.000000000 28827170 0
5 4 0 -4558.9810804283 -0.0000060156 0.000280784 0.000114214 0.000000000 0.000000000 28610359 0
6 5 0 -4558.9810809450 -0.0000005167 0.000132211 0.000030461 0.000000000 0.000000000 28399692 0
7 6 0 -4558.9810810040 -0.0000000590 0.000026327 0.000008154 0.000000000 0.000000000 28195311 0
8 7 0 -4558.9810810061 -0.0000000022 0.000011240 0.000003263 0.000000000 0.000000000 27807905 0
9 8 0 -4558.9810810065 -0.0000000004 0.000002472 0.000001204 0.000000000 0.000000000 27592287 0
10 9 0 -4558.9810810065 -0.0000000000 0.000000363 0.000000369 0.000000000 0.000000000 27294118 0
11 10 0 -4558.9810810065 0.0000000000 0.000000154 0.000000086 0.000000000 0.000000000 26686498 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.1 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4558.9810810065 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.79 TOTAL CPU TIME= 1618.6 ( 27.0 MIN)
TOTAL WALL CLOCK TIME= 1433.8 SECONDS, CPU UTILIZATION IS 112.88%
RHF RI MP2 ENERGY
ESCF= -4558.9810810065
E(2)= -7.6710913652
E(MP2)= -4566.6521723717
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-12.077370 -12.468348 -12.292943 21.270614
iFrag= 97 jFrag= 40 EFMOc= -4566.652172372
iFrag= 97 jFrag= 40 EFMOu= -4558.981081007 Tr= 0.000704331
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0007864434
--------------------------------------
FINAL EFP ENERGY = -0.0007864434
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-8.724544 0.652670 5.449038 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.496452 0.264779 -0.367252 0.671898
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.266940 -10.209123 6.763802 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.898379 -6.719995 -8.928617 13.132637
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-3.728802 -4.778226 6.106420 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.401927 -6.455216 -9.295869 13.002602
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 98 70 corr= MP2 , LL1= 780 ID= 4725
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 98 70 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0918113849 -4559.0918113849 0.089103280 0.000000000 0.000000000 1.000000000 33397313 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0167016798 0.0751097051 0.012889715 0.005504147 0.000000000 0.000000000 33396987 0
3 2 0 -4559.0173591832 -0.0006575033 0.005476199 0.001132128 0.000000000 0.000000000 33385841 0
4 3 0 -4559.0174294121 -0.0000702289 0.001047325 0.000697902 0.000000000 0.000000000 33359560 0
5 4 0 -4559.0174373047 -0.0000078926 0.000267071 0.000134444 0.000000000 0.000000000 33147500 0
6 5 0 -4559.0174377346 -0.0000004300 0.000099476 0.000032079 0.000000000 0.000000000 32856589 0
7 6 0 -4559.0174377939 -0.0000000593 0.000016948 0.000007874 0.000000000 0.000000000 32585087 0
8 7 0 -4559.0174377961 -0.0000000022 0.000006512 0.000002869 0.000000000 0.000000000 31976539 0
9 8 0 -4559.0174377965 -0.0000000004 0.000002055 0.000000905 0.000000000 0.000000000 31622891 0
10 9 0 -4559.0174377965 -0.0000000000 0.000000442 0.000000241 0.000000000 0.000000000 31280938 0
11 10 0 -4559.0174377965 -0.0000000000 0.000000199 0.000000053 0.000000000 0.000000000 30708840 0
12 11 0 -4559.0174377966 -0.0000000000 0.000000031 0.000000018 0.000000000 0.000000000 30481644 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.3 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0174377966 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 18.08 TOTAL CPU TIME= 1636.6 ( 27.3 MIN)
TOTAL WALL CLOCK TIME= 1445.9 SECONDS, CPU UTILIZATION IS 113.19%
RHF RI MP2 ENERGY
ESCF= -4559.0174377966
E(2)= -7.6709051013
E(MP2)= -4566.6883428979
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.286855 -6.384235 -9.226202 12.861019
iFrag= 98 jFrag= 70 EFMOc= -4566.688342898
iFrag= 98 jFrag= 70 EFMOu= -4559.017437797 Tr= 0.000786443
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0004522401
--------------------------------------
FINAL EFP ENERGY = -0.0004522401
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
6.383819 -6.190859 -0.270149 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.327129 -4.757345 -12.211287 14.552677
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.977238 -3.622978 5.729009 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-4.269894 8.024266 -14.920853 17.471482
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
4.180528 -4.906918 2.729430 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-10.597023 3.266921 -27.132140 29.310795
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 100 6 corr= MP2 , LL1= 780 ID= 4856
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 100 6 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.1020597931 -4559.1020597931 0.096590476 0.000000000 0.000000000 1.000000000 26605747 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0130863625 0.0889734306 0.012167634 0.004501093 0.000000000 0.000000000 26605543 0
3 2 0 -4559.0136243786 -0.0005380161 0.005750621 0.001560483 0.000000000 0.000000000 26599679 0
4 3 0 -4559.0137034450 -0.0000790664 0.001368425 0.000503087 0.000000000 0.000000000 26586507 0
5 4 0 -4559.0137092348 -0.0000057898 0.000419096 0.000240262 0.000000000 0.000000000 26513382 0
6 5 0 -4559.0137102660 -0.0000010312 0.000167404 0.000053205 0.000000000 0.000000000 26404966 0
7 6 0 -4559.0137103413 -0.0000000753 0.000024379 0.000010228 0.000000000 0.000000000 26228897 0
8 7 0 -4559.0137103440 -0.0000000027 0.000009776 0.000004435 0.000000000 0.000000000 25892572 0
9 8 0 -4559.0137103444 -0.0000000003 0.000002585 0.000001558 0.000000000 0.000000000 25712280 0
10 9 0 -4559.0137103444 -0.0000000000 0.000000558 0.000000259 0.000000000 0.000000000 25468034 0
11 10 0 -4559.0137103444 0.0000000000 0.000000371 0.000000069 0.000000000 0.000000000 25110702 0
12 11 0 -4559.0137103444 -0.0000000000 0.000000071 0.000000021 0.000000000 0.000000000 24963104 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.2 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0137103444 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 18.07 TOTAL CPU TIME= 1654.7 ( 27.6 MIN)
TOTAL WALL CLOCK TIME= 1458.0 SECONDS, CPU UTILIZATION IS 113.49%
RHF RI MP2 ENERGY
ESCF= -4559.0137103444
E(2)= -7.6676344312
E(MP2)= -4566.6813447757
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-10.754789 3.207668 -27.144259 29.372869
iFrag= 100 jFrag= 6 EFMOc= -4566.681344776
iFrag= 100 jFrag= 6 EFMOu= -4559.013710344 Tr= 0.000452240
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0005160947
--------------------------------------
FINAL EFP ENERGY = -0.0005160947
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
1.621692 -1.227531 -3.670444 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.179085 -1.126985 -5.977107 6.195655
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
-4.185838 0.889706 5.495300 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.567358 -0.055625 5.922020 6.454823
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.282073 -0.168912 0.912428 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.746443 -1.182610 -0.055087 3.929050
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 142 115 corr= MP2 , LL1= 780 ID= 4991
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 142 115 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0975378892 -4559.0975378892 0.052925218 0.000000000 0.000000000 1.000000000 26621153 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0435716814 0.0539662078 0.010055460 0.004814579 0.000000000 0.000000000 26620338 0
3 2 0 -4559.0441156218 -0.0005439404 0.005493785 0.002033730 0.000000000 0.000000000 26613517 0
4 3 0 -4559.0442065162 -0.0000908943 0.001103830 0.000856647 0.000000000 0.000000000 26604232 0
5 4 0 -4559.0442144999 -0.0000079838 0.000373582 0.000116601 0.000000000 0.000000000 26473604 0
6 5 0 -4559.0442150913 -0.0000005914 0.000186712 0.000038718 0.000000000 0.000000000 26341544 0
7 6 0 -4559.0442151416 -0.0000000503 0.000045113 0.000010756 0.000000000 0.000000000 26169090 0
8 7 0 -4559.0442151444 -0.0000000028 0.000012783 0.000005126 0.000000000 0.000000000 25937538 0
9 8 0 -4559.0442151450 -0.0000000005 0.000003349 0.000001292 0.000000000 0.000000000 25708495 0
10 9 0 -4559.0442151450 -0.0000000000 0.000000895 0.000000287 0.000000000 0.000000000 25500993 0
11 10 0 -4559.0442151450 -0.0000000000 0.000000227 0.000000088 0.000000000 0.000000000 25230837 0
12 11 0 -4559.0442151450 0.0000000000 0.000000046 0.000000022 0.000000000 0.000000000 24992226 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.2 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0442151450 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.54 TOTAL CPU TIME= 1672.2 ( 27.9 MIN)
TOTAL WALL CLOCK TIME= 1470.0 SECONDS, CPU UTILIZATION IS 113.76%
RHF RI MP2 ENERGY
ESCF= -4559.0442151450
E(2)= -7.6674711591
E(MP2)= -4566.7116863041
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.609696 -1.050406 0.204040 3.764955
iFrag= 142 jFrag= 115 EFMOc= -4566.711686304
iFrag= 142 jFrag= 115 EFMOu= -4559.044215145 Tr= 0.000516095
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0001363383
--------------------------------------
FINAL EFP ENERGY = -0.0001363383
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
9.074503 -5.744034 -0.086006 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-13.227478 8.452338 -6.624135 17.037821
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
6.061710 5.964785 0.883819 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-9.127581 -0.622740 18.098586 20.279530
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
7.568107 0.110376 0.398907 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-22.355059 7.829598 11.474451 26.319466
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 67 37 corr= MP2 , LL1= 780 ID= 5119
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 67 37 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0546268536 -4559.0546268536 0.047453546 0.000000000 0.000000000 1.000000000 26045383 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0548966515 -0.0002697979 0.010064929 0.002647469 0.000000000 0.000000000 26044423 0
3 2 0 -4559.0550431107 -0.0001464592 0.003508529 0.000919277 0.000000000 0.000000000 26036357 0
4 3 0 -4559.0550541523 -0.0000110416 0.000510258 0.000388328 0.000000000 0.000000000 25998515 0
5 4 0 -4559.0550553426 -0.0000011902 0.000176823 0.000073277 0.000000000 0.000000000 25739157 0
6 5 0 -4559.0550554456 -0.0000001031 0.000074489 0.000023280 0.000000000 0.000000000 25572647 0
7 6 0 -4559.0550554611 -0.0000000154 0.000010629 0.000004741 0.000000000 0.000000000 25363794 0
8 7 0 -4559.0550554614 -0.0000000004 0.000004531 0.000001554 0.000000000 0.000000000 24963134 0
9 8 0 -4559.0550554615 -0.0000000001 0.000001162 0.000000807 0.000000000 0.000000000 24750185 0
10 9 0 -4559.0550554615 0.0000000000 0.000000200 0.000000236 0.000000000 0.000000000 24465616 0
11 10 0 -4559.0550554615 0.0000000000 0.000000054 0.000000028 0.000000000 0.000000000 24071755 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.0 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0550554615 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.73 TOTAL CPU TIME= 1690.0 ( 28.2 MIN)
TOTAL WALL CLOCK TIME= 1482.0 SECONDS, CPU UTILIZATION IS 114.03%
RHF RI MP2 ENERGY
ESCF= -4559.0550554615
E(2)= -7.6667954267
E(MP2)= -4566.7218508882
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-22.389723 7.810576 11.521824 26.363938
iFrag= 67 jFrag= 37 EFMOc= -4566.721850888
iFrag= 67 jFrag= 37 EFMOu= -4559.055055462 Tr= 0.000136338
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0003206380
--------------------------------------
FINAL EFP ENERGY = -0.0003206380
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-2.327374 0.888827 3.572995 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-14.913588 3.796384 4.300445 15.978782
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-8.724544 0.652670 5.449038 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.607574 0.340963 -0.286080 0.753156
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-5.525959 0.770749 4.511017 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-14.306013 4.137347 4.014365 15.423838
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 103 98 corr= MP2 , LL1= 780 ID= 5248
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 103 98 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0583264627 -4559.0583264627 0.046299207 0.000000000 0.000000000 1.000000000 26198561 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0381433515 0.0201831112 0.015352695 0.005569119 0.000000000 0.000000000 26197670 0
3 2 0 -4559.0385368579 -0.0003935064 0.008185693 0.001954867 0.000000000 0.000000000 26192999 0
4 3 0 -4559.0386001875 -0.0000633295 0.001103055 0.000637393 0.000000000 0.000000000 26184476 0
5 4 0 -4559.0386058718 -0.0000056843 0.000377347 0.000111152 0.000000000 0.000000000 26071188 0
6 5 0 -4559.0386062444 -0.0000003726 0.000126642 0.000035964 0.000000000 0.000000000 25900673 0
7 6 0 -4559.0386062791 -0.0000000347 0.000023494 0.000005522 0.000000000 0.000000000 25652040 0
8 7 0 -4559.0386062805 -0.0000000014 0.000008375 0.000002843 0.000000000 0.000000000 25201545 0
9 8 0 -4559.0386062807 -0.0000000002 0.000001945 0.000000879 0.000000000 0.000000000 25034197 0
10 9 0 -4559.0386062807 -0.0000000000 0.000000444 0.000000127 0.000000000 0.000000000 24834379 0
11 10 0 -4559.0386062807 0.0000000000 0.000000110 0.000000058 0.000000000 0.000000000 24467406 0
12 11 0 -4559.0386062807 -0.0000000000 0.000000031 0.000000015 0.000000000 0.000000000 24053822 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.2 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0386062807 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.96 TOTAL CPU TIME= 1707.9 ( 28.5 MIN)
TOTAL WALL CLOCK TIME= 1494.1 SECONDS, CPU UTILIZATION IS 114.31%
RHF RI MP2 ENERGY
ESCF= -4559.0386062807
E(2)= -7.6662374930
E(MP2)= -4566.7048437738
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-14.355838 4.140424 4.019527 15.472227
iFrag= 103 jFrag= 98 EFMOc= -4566.704843774
iFrag= 103 jFrag= 98 EFMOu= -4559.038606281 Tr= 0.000320638
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0001508273
--------------------------------------
FINAL EFP ENERGY = -0.0001508273
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
3.520096 -0.307993 4.028574 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.949226 9.942239 0.171671 9.988925
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.772929 -0.343911 2.350119 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-10.944471 7.830023 8.075179 15.693923
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
1.373583 -0.325952 3.189346 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-9.995246 17.772262 8.246850 21.994744
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 105 22 corr= MP2 , LL1= 780 ID= 5377
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 105 22 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0234784658 -4559.0234784658 0.057375518 0.000000000 0.000000000 1.000000000 26891295 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0212977867 0.0021806791 0.014314968 0.003579653 0.000000000 0.000000000 26890659 0
3 2 0 -4559.0214890748 -0.0001912881 0.006143733 0.001055908 0.000000000 0.000000000 26886072 0
4 3 0 -4559.0215071694 -0.0000180946 0.000602675 0.000430396 0.000000000 0.000000000 26874663 0
5 4 0 -4559.0215089884 -0.0000018190 0.000260829 0.000131476 0.000000000 0.000000000 26684732 0
6 5 0 -4559.0215091793 -0.0000001909 0.000109375 0.000033442 0.000000000 0.000000000 26542204 0
7 6 0 -4559.0215092064 -0.0000000271 0.000014198 0.000005469 0.000000000 0.000000000 26376644 0
8 7 0 -4559.0215092072 -0.0000000008 0.000012783 0.000004271 0.000000000 0.000000000 25852908 0
9 8 0 -4559.0215092073 -0.0000000001 0.000001643 0.000001161 0.000000000 0.000000000 25825644 0
10 9 0 -4559.0215092073 0.0000000000 0.000000233 0.000000104 0.000000000 0.000000000 25371808 0
11 10 0 -4559.0215092073 0.0000000000 0.000000060 0.000000025 0.000000000 0.000000000 24962877 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.1 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0215092073 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.75 TOTAL CPU TIME= 1725.7 ( 28.8 MIN)
TOTAL WALL CLOCK TIME= 1506.0 SECONDS, CPU UTILIZATION IS 114.59%
RHF RI MP2 ENERGY
ESCF= -4559.0215092073
E(2)= -7.6671913880
E(MP2)= -4566.6887005953
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-10.048751 17.741306 8.114929 21.945009
iFrag= 105 jFrag= 22 EFMOc= -4566.688700595
iFrag= 105 jFrag= 22 EFMOu= -4559.021509207 Tr= 0.000150827
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0005879069
--------------------------------------
FINAL EFP ENERGY = -0.0005879069
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-1.721382 -4.265397 8.574837 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.321530 7.308422 -6.337436 9.948147
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.697055 -0.959175 -2.153788 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.149410 -1.798765 16.313239 17.901715
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.209219 -2.612286 3.210524 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.827881 5.509657 9.975803 12.376648
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 106 45 corr= MP2 , LL1= 780 ID= 5504
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 106 45 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0491511016 -4559.0491511016 0.065659718 0.000000000 0.000000000 1.000000000 26489341 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0300204799 0.0191306216 0.017806208 0.004800912 0.000000000 0.000000000 26488843 0
3 2 0 -4559.0304190592 -0.0003985793 0.008778225 0.001780801 0.000000000 0.000000000 26484958 0
4 3 0 -4559.0304652529 -0.0000461936 0.000674605 0.000439421 0.000000000 0.000000000 26477367 0
5 4 0 -4559.0304702043 -0.0000049515 0.000351801 0.000103786 0.000000000 0.000000000 26259368 0
6 5 0 -4559.0304705878 -0.0000003834 0.000095231 0.000024318 0.000000000 0.000000000 26136831 0
7 6 0 -4559.0304706290 -0.0000000412 0.000020172 0.000007675 0.000000000 0.000000000 25880445 0
8 7 0 -4559.0304706305 -0.0000000015 0.000015094 0.000004127 0.000000000 0.000000000 25551993 0
9 8 0 -4559.0304706308 -0.0000000003 0.000001635 0.000001198 0.000000000 0.000000000 25492267 0
10 9 0 -4559.0304706308 -0.0000000000 0.000000330 0.000000140 0.000000000 0.000000000 24875477 0
11 10 0 -4559.0304706308 0.0000000000 0.000000129 0.000000039 0.000000000 0.000000000 24444883 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.1 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0304706308 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.72 TOTAL CPU TIME= 1743.4 ( 29.1 MIN)
TOTAL WALL CLOCK TIME= 1517.6 SECONDS, CPU UTILIZATION IS 114.87%
RHF RI MP2 ENERGY
ESCF= -4559.0304706308
E(2)= -7.6689114277
E(MP2)= -4566.6993820586
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.970214 5.371541 9.967489 12.365570
iFrag= 106 jFrag= 45 EFMOc= -4566.699382059
iFrag= 106 jFrag= 45 EFMOu= -4559.030470631 Tr= 0.000587907
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0000230980
--------------------------------------
FINAL EFP ENERGY = -0.0000230980
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-5.132964 2.255139 -1.239886 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.864515 3.570615 2.198820 4.589174
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
0.868817 2.643422 -1.817194 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.823416 7.067225 15.913590 17.507509
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-2.132073 2.449280 -1.528540 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.041099 10.637841 18.112411 21.005351
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 107 68 corr= MP2 , LL1= 780 ID= 5632
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 107 68 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0564485728 -4559.0564485728 0.001342516 0.000000000 0.000000000 1.000000000 22348207 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0564704591 -0.0000218863 0.000419380 0.000223517 0.000000000 0.000000000 22233657 0
3 2 0 -4559.0564724929 -0.0000020338 0.000294915 0.000079900 0.000000000 0.000000000 22070168 0
4 3 0 -4559.0564728526 -0.0000003598 0.000041530 0.000039020 0.000000000 0.000000000 21994444 0
5 4 0 -4559.0564728822 -0.0000000296 0.000008786 0.000005758 0.000000000 0.000000000 21645329 0
6 5 0 -4559.0564728835 -0.0000000013 0.000004750 0.000001717 0.000000000 0.000000000 21372764 0
7 6 0 -4559.0564728837 -0.0000000002 0.000000712 0.000000386 0.000000000 0.000000000 21248166 0
8 7 0 -4559.0564728837 -0.0000000000 0.000000300 0.000000176 0.000000000 0.000000000 20922246 0
9 8 0 -4559.0564728837 0.0000000000 0.000000122 0.000000088 0.000000000 0.000000000 20650611 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 1.6 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.5 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0564728837 AFTER 9 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.11 TOTAL CPU TIME= 1760.5 ( 29.3 MIN)
TOTAL WALL CLOCK TIME= 1528.9 SECONDS, CPU UTILIZATION IS 115.15%
RHF RI MP2 ENERGY
ESCF= -4559.0564728837
E(2)= -7.6636822369
E(MP2)= -4566.7201551206
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.041093 10.637675 18.112563 21.005399
iFrag= 107 jFrag= 68 EFMOc= -4566.720155121
iFrag= 107 jFrag= 68 EFMOu= -4559.056472884 Tr= 0.000023098
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0007892638
--------------------------------------
FINAL EFP ENERGY = -0.0007892638
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-1.284616 -2.141304 3.798748 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.089952 7.476827 1.021521 7.546823
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-4.770428 0.085482 6.856826 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.668706 10.056775 -0.411376 11.551718
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-3.027522 -1.027911 5.327787 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.578754 17.533602 0.610145 18.409834
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 108 84 corr= MP2 , LL1= 780 ID= 5754
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 108 84 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.1093171364 -4559.1093171364 0.088941288 0.000000000 0.000000000 1.000000000 34510163 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4558.9929302876 0.1163868489 0.012574491 0.005261095 0.000000000 0.000000000 34509740 0
3 2 0 -4558.9938454623 -0.0009151748 0.004902503 0.001877713 0.000000000 0.000000000 34496009 0
4 3 0 -4558.9939606412 -0.0001151789 0.001594316 0.001058951 0.000000000 0.000000000 34460523 0
5 4 0 -4558.9939725303 -0.0000118891 0.000457872 0.000191320 0.000000000 0.000000000 34335853 0
6 5 0 -4558.9939736631 -0.0000011328 0.000214781 0.000069058 0.000000000 0.000000000 34058888 0
7 6 0 -4558.9939737817 -0.0000001186 0.000033898 0.000016840 0.000000000 0.000000000 33822194 0
8 7 0 -4558.9939737854 -0.0000000037 0.000013496 0.000007876 0.000000000 0.000000000 33168548 0
9 8 0 -4558.9939737862 -0.0000000008 0.000001734 0.000001418 0.000000000 0.000000000 32778275 0
10 9 0 -4558.9939737862 -0.0000000000 0.000000571 0.000000332 0.000000000 0.000000000 32134595 0
11 10 0 -4558.9939737862 0.0000000000 0.000000179 0.000000077 0.000000000 0.000000000 31725235 0
12 11 0 -4558.9939737862 -0.0000000000 0.000000052 0.000000024 0.000000000 0.000000000 31262302 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.3 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4558.9939737862 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 18.00 TOTAL CPU TIME= 1778.5 ( 29.6 MIN)
TOTAL WALL CLOCK TIME= 1541.0 SECONDS, CPU UTILIZATION IS 115.41%
RHF RI MP2 ENERGY
ESCF= -4558.9939737862
E(2)= -7.6717089427
E(MP2)= -4566.6656827289
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.689909 17.771907 0.800475 18.677701
iFrag= 108 jFrag= 84 EFMOc= -4566.665682729
iFrag= 108 jFrag= 84 EFMOu= -4558.993973786 Tr= 0.000789264
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0005088668
--------------------------------------
FINAL EFP ENERGY = -0.0005088668
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
5.373501 -13.296790 2.522950 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-11.685290 5.377170 11.076519 16.974959
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
-1.721382 -4.265397 8.574837 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.346261 7.319003 -6.209874 9.881056
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
1.826060 -8.781093 5.548893 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-14.031550 12.696173 4.866645 19.538716
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 109 106 corr= MP2 , LL1= 780 ID= 5883
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 109 106 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0784403760 -4559.0784403760 0.032780702 0.000000000 0.000000000 1.000000000 28450689 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0687876968 0.0096526791 0.009985528 0.003090048 0.000000000 0.000000000 28448648 0
3 2 0 -4559.0690977697 -0.0003100728 0.005152391 0.001222986 0.000000000 0.000000000 28437613 0
4 3 0 -4559.0691425790 -0.0000448094 0.000926930 0.000467305 0.000000000 0.000000000 28414043 0
5 4 0 -4559.0691469984 -0.0000044194 0.000247888 0.000081343 0.000000000 0.000000000 28229899 0
6 5 0 -4559.0691472549 -0.0000002565 0.000144341 0.000028406 0.000000000 0.000000000 27937111 0
7 6 0 -4559.0691472857 -0.0000000308 0.000024717 0.000005756 0.000000000 0.000000000 27792660 0
8 7 0 -4559.0691472869 -0.0000000011 0.000009016 0.000002119 0.000000000 0.000000000 27400713 0
9 8 0 -4559.0691472870 -0.0000000002 0.000001689 0.000000874 0.000000000 0.000000000 27091273 0
10 9 0 -4559.0691472871 -0.0000000000 0.000000229 0.000000109 0.000000000 0.000000000 26481619 0
11 10 0 -4559.0691472870 0.0000000000 0.000000137 0.000000042 0.000000000 0.000000000 25957136 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.1 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0691472870 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.69 TOTAL CPU TIME= 1796.2 ( 29.9 MIN)
TOTAL WALL CLOCK TIME= 1552.8 SECONDS, CPU UTILIZATION IS 115.67%
RHF RI MP2 ENERGY
ESCF= -4559.0691472870
E(2)= -7.6657544763
E(MP2)= -4566.7349017633
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-14.125377 12.816839 4.916860 19.697034
iFrag= 109 jFrag= 106 EFMOc= -4566.734901763
iFrag= 109 jFrag= 106 EFMOu= -4559.069147287 Tr= 0.000508867
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0006396905
--------------------------------------
FINAL EFP ENERGY = -0.0006396905
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-4.056733 -4.432143 -2.250088 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
13.352771 -14.670171 8.000616 21.389723
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
3.912630 3.313886 2.522592 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.056053 7.143119 5.329371 9.791727
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-0.072052 -0.559129 0.136252 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
17.408824 -7.527051 13.329988 23.182153
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 111 18 corr= MP2 , LL1= 780 ID= 6012
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 111 18 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0575773128 -4559.0575773128 0.051529851 0.000000000 0.000000000 1.000000000 27447925 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0251991922 0.0323781206 0.011358645 0.003244351 0.000000000 0.000000000 27447112 0
3 2 0 -4559.0256772829 -0.0004780906 0.004580838 0.001033024 0.000000000 0.000000000 27439600 0
4 3 0 -4559.0257250321 -0.0000477492 0.000639049 0.000364023 0.000000000 0.000000000 27418243 0
5 4 0 -4559.0257289388 -0.0000039068 0.000261000 0.000102882 0.000000000 0.000000000 27248177 0
6 5 0 -4559.0257294968 -0.0000005579 0.000121438 0.000031695 0.000000000 0.000000000 27120681 0
7 6 0 -4559.0257295591 -0.0000000623 0.000018976 0.000004123 0.000000000 0.000000000 26969162 0
8 7 0 -4559.0257295609 -0.0000000018 0.000007573 0.000001833 0.000000000 0.000000000 26696234 0
9 8 0 -4559.0257295612 -0.0000000003 0.000001465 0.000000786 0.000000000 0.000000000 26524954 0
10 9 0 -4559.0257295611 0.0000000000 0.000000325 0.000000229 0.000000000 0.000000000 26185288 0
11 10 0 -4559.0257295612 -0.0000000000 0.000000222 0.000000058 0.000000000 0.000000000 25928142 0
----------------
ENERGY CONVERGED
----------------
TIME TO FORM FOCK OPERATORS= 2.0 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0257295612 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.67 TOTAL CPU TIME= 1813.9 ( 30.2 MIN)
TOTAL WALL CLOCK TIME= 1564.6 SECONDS, CPU UTILIZATION IS 115.94%
RHF RI MP2 ENERGY
ESCF= -4559.0257295612
E(2)= -7.6700787225
E(MP2)= -4566.6958082836
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
17.304938 -7.497408 13.233009 23.038761
iFrag= 111 jFrag= 18 EFMOc= -4566.695808284
iFrag= 111 jFrag= 18 EFMOu= -4559.025729561 Tr= 0.000639691
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0003898702
--------------------------------------
FINAL EFP ENERGY = -0.0003898702
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
2.759721 1.438060 -0.690742 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.385597 1.933894 -8.749743 8.969205
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
3.494236 4.808626 5.586405 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
16.003372 -9.032483 6.857964 19.614416
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
3.126979 3.123343 2.447832 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
16.388969 -7.098589 -1.891779 17.960153
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 112 34 corr= MP2 , LL1= 780 ID= 6138
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 112 34 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0438991028 -4559.0438991028 0.027867329 0.000000000 0.000000000 1.000000000 29652432 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0429924780 0.0009066248 0.007251773 0.002330584 0.000000000 0.000000000 29649505 0
3 2 0 -4559.0432261508 -0.0002336729 0.003252856 0.000867644 0.000000000 0.000000000 29632364 0
4 3 0 -4559.0432536722 -0.0000275214 0.000553550 0.000321784 0.000000000 0.000000000 29584345 0
5 4 0 -4559.0432559714 -0.0000022992 0.000164031 0.000073479 0.000000000 0.000000000 29306585 0
6 5 0 -4559.0432561379 -0.0000001665 0.000041076 0.000013637 0.000000000 0.000000000 29017950 0
7 6 0 -4559.0432561525 -0.0000000146 0.000010394 0.000003380 0.000000000 0.000000000 28707705 0
8 7 0 -4559.0432561533 -0.0000000008 0.000003892 0.000001439 0.000000000 0.000000000 28398183 0
9 8 0 -4559.0432561534 -0.0000000001 0.000001332 0.000000522 0.000000000 0.000000000 28161929 0
10 9 0 -4559.0432561534 -0.0000000000 0.000000362 0.000000254 0.000000000 0.000000000 27917312 0
11 10 0 -4559.0432561534 -0.0000000000 0.000000070 0.000000033 0.000000000 0.000000000 27550528 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.1 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0432561534 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.72 TOTAL CPU TIME= 1831.6 ( 30.5 MIN)
TOTAL WALL CLOCK TIME= 1576.3 SECONDS, CPU UTILIZATION IS 116.19%
RHF RI MP2 ENERGY
ESCF= -4559.0432561534
E(2)= -7.6704069953
E(MP2)= -4566.7136631487
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
16.430879 -7.026945 -1.919287 17.973185
iFrag= 112 jFrag= 34 EFMOc= -4566.713663149
iFrag= 112 jFrag= 34 EFMOu= -4559.043256153 Tr= 0.000389870
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0003727710
--------------------------------------
FINAL EFP ENERGY = -0.0003727710
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-11.624402 -3.873735 1.761159 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
8.480687 -16.267113 26.806514 32.482767
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
9.440542 -2.739730 -4.577614 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.053186 3.518903 10.765287 12.029231
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.091930 -3.306733 -1.408228 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
12.533873 -12.748210 37.571800 41.608353
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 113 51 corr= MP2 , LL1= 780 ID= 6266
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 113 51 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0425634842 -4559.0425634842 0.045969414 0.000000000 0.000000000 1.000000000 23693426 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0280376339 0.0145258504 0.005154707 0.001874222 0.000000000 0.000000000 23692537 0
3 2 0 -4559.0281529182 -0.0001152844 0.002336947 0.000692539 0.000000000 0.000000000 23670863 0
4 3 0 -4559.0281672958 -0.0000143776 0.000456928 0.000262756 0.000000000 0.000000000 23633471 0
5 4 0 -4559.0281690495 -0.0000017537 0.000197923 0.000077372 0.000000000 0.000000000 23478802 0
6 5 0 -4559.0281692010 -0.0000001515 0.000087717 0.000024254 0.000000000 0.000000000 23395782 0
7 6 0 -4559.0281692164 -0.0000000154 0.000012728 0.000004339 0.000000000 0.000000000 23284305 0
8 7 0 -4559.0281692169 -0.0000000005 0.000005947 0.000001408 0.000000000 0.000000000 22944273 0
9 8 0 -4559.0281692170 -0.0000000001 0.000000939 0.000000351 0.000000000 0.000000000 22772463 0
10 9 0 -4559.0281692169 0.0000000000 0.000000314 0.000000158 0.000000000 0.000000000 22456395 0
11 10 0 -4559.0281692169 -0.0000000000 0.000000122 0.000000034 0.000000000 0.000000000 22267808 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.0 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0281692169 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.67 TOTAL CPU TIME= 1849.3 ( 30.8 MIN)
TOTAL WALL CLOCK TIME= 1588.1 SECONDS, CPU UTILIZATION IS 116.44%
RHF RI MP2 ENERGY
ESCF= -4559.0281692169
E(2)= -7.6677582275
E(MP2)= -4566.6959274445
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
12.597510 -12.691496 37.486628 41.533343
iFrag= 113 jFrag= 51 EFMOc= -4566.695927444
iFrag= 113 jFrag= 51 EFMOu= -4559.028169217 Tr= 0.000372771
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0006038031
--------------------------------------
FINAL EFP ENERGY = -0.0006038031
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
5.263374 4.332527 -1.040724 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
8.617721 2.802811 2.213656 9.328512
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-1.176089 -0.369697 8.173426 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.715738 -8.489989 -18.881461 21.033216
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.043642 1.981415 3.566351 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.901983 -5.687178 -16.667805 18.280841
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 114 66 corr= MP2 , LL1= 780 ID= 6393
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 114 66 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.1182642359 -4559.1182642359 0.093913843 0.000000000 0.000000000 1.000000000 31685002 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0326608778 0.0856033581 0.013731472 0.004074373 0.000000000 0.000000000 31684722 0
3 2 0 -4559.0333863274 -0.0007254496 0.006044710 0.001313818 0.000000000 0.000000000 31676135 0
4 3 0 -4559.0334731193 -0.0000867919 0.001089057 0.000982795 0.000000000 0.000000000 31656698 0
5 4 0 -4559.0334821224 -0.0000090031 0.000370248 0.000141902 0.000000000 0.000000000 31495642 0
6 5 0 -4559.0334828421 -0.0000007197 0.000170094 0.000046368 0.000000000 0.000000000 31251332 0
7 6 0 -4559.0334829335 -0.0000000914 0.000021996 0.000008825 0.000000000 0.000000000 31076364 0
8 7 0 -4559.0334829367 -0.0000000032 0.000010996 0.000004557 0.000000000 0.000000000 30463795 0
9 8 0 -4559.0334829373 -0.0000000005 0.000001965 0.000001133 0.000000000 0.000000000 30290594 0
10 9 0 -4559.0334829373 -0.0000000000 0.000000511 0.000000291 0.000000000 0.000000000 29822309 0
11 10 0 -4559.0334829373 -0.0000000000 0.000000193 0.000000086 0.000000000 0.000000000 29358659 0
12 11 0 -4559.0334829373 0.0000000000 0.000000048 0.000000016 0.000000000 0.000000000 29031254 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.3 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0334829373 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 18.02 TOTAL CPU TIME= 1867.3 ( 31.1 MIN)
TOTAL WALL CLOCK TIME= 1600.3 SECONDS, CPU UTILIZATION IS 116.69%
RHF RI MP2 ENERGY
ESCF= -4559.0334829373
E(2)= -7.6684531614
E(MP2)= -4566.7019360987
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.840437 -5.622444 -16.687007 18.261925
iFrag= 114 jFrag= 66 EFMOc= -4566.701936099
iFrag= 114 jFrag= 66 EFMOu= -4559.033482937 Tr= 0.000603803
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0001696623
--------------------------------------
FINAL EFP ENERGY = -0.0001696623
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-4.185838 0.889706 5.495300 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.620142 -0.115106 5.905589 6.461763
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.363860 -4.120802 -4.947462 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.391984 2.106002 -4.004088 5.654513
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-2.274849 -1.615548 0.273919 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.771842 1.990896 1.901501 2.859216
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 115 83 corr= MP2 , LL1= 780 ID= 6523
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 115 83 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0463428237 -4559.0463428237 0.013442825 0.000000000 0.000000000 1.000000000 24732363 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0467454294 -0.0004026057 0.002563009 0.001074774 0.000000000 0.000000000 24725752 0
3 2 0 -4559.0467719848 -0.0000265554 0.000940710 0.000281276 0.000000000 0.000000000 24672818 0
4 3 0 -4559.0467750528 -0.0000030680 0.000190244 0.000153492 0.000000000 0.000000000 24599602 0
5 4 0 -4559.0467753981 -0.0000003452 0.000079374 0.000024045 0.000000000 0.000000000 24372348 0
6 5 0 -4559.0467754192 -0.0000000211 0.000015005 0.000005915 0.000000000 0.000000000 24256477 0
7 6 0 -4559.0467754213 -0.0000000021 0.000002541 0.000001309 0.000000000 0.000000000 23937970 0
8 7 0 -4559.0467754214 -0.0000000001 0.000001403 0.000000471 0.000000000 0.000000000 23563107 0
9 8 0 -4559.0467754214 0.0000000000 0.000000321 0.000000141 0.000000000 0.000000000 23452415 0
10 9 0 -4559.0467754214 -0.0000000000 0.000000087 0.000000080 0.000000000 0.000000000 23068399 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 1.8 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.5 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0467754214 AFTER 10 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.51 TOTAL CPU TIME= 1884.8 ( 31.4 MIN)
TOTAL WALL CLOCK TIME= 1611.9 SECONDS, CPU UTILIZATION IS 116.93%
RHF RI MP2 ENERGY
ESCF= -4559.0467754214
E(2)= -7.6640709673
E(MP2)= -4566.7108463887
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.760151 1.980133 1.899519 2.847267
iFrag= 115 jFrag= 83 EFMOc= -4566.710846389
iFrag= 115 jFrag= 83 EFMOu= -4559.046775421 Tr= 0.000169662
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002509737
--------------------------------------
FINAL EFP ENERGY = -0.0002509737
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-3.260771 -1.571737 0.612135 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
20.588522 9.721036 -8.644269 24.353832
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.088995 4.423931 0.046680 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.439224 14.440602 -11.621314 19.060237
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.674883 1.426097 0.329407 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
25.027746 24.161638 -20.265583 40.259989
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 116 96 corr= MP2 , LL1= 780 ID= 6650
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 116 96 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0026001603 -4559.0026001603 0.034828632 0.000000000 0.000000000 1.000000000 27358045 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0024347105 0.0001654498 0.007792207 0.002859885 0.000000000 0.000000000 27356547 0
3 2 0 -4559.0026719606 -0.0002372501 0.002678304 0.000963025 0.000000000 0.000000000 27344519 0
4 3 0 -4559.0026900787 -0.0000181181 0.000529922 0.000282167 0.000000000 0.000000000 27312356 0
5 4 0 -4559.0026915471 -0.0000014684 0.000137388 0.000101155 0.000000000 0.000000000 27130639 0
6 5 0 -4559.0026917174 -0.0000001703 0.000061833 0.000020506 0.000000000 0.000000000 26899370 0
7 6 0 -4559.0026917367 -0.0000000193 0.000010557 0.000003384 0.000000000 0.000000000 26727135 0
8 7 0 -4559.0026917374 -0.0000000007 0.000003377 0.000001255 0.000000000 0.000000000 26400184 0
9 8 0 -4559.0026917375 -0.0000000001 0.000000861 0.000000390 0.000000000 0.000000000 26104946 0
10 9 0 -4559.0026917375 -0.0000000000 0.000000347 0.000000151 0.000000000 0.000000000 25712066 0
11 10 0 -4559.0026917375 0.0000000000 0.000000062 0.000000044 0.000000000 0.000000000 25589580 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.0 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0026917375 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.68 TOTAL CPU TIME= 1902.5 ( 31.7 MIN)
TOTAL WALL CLOCK TIME= 1623.6 SECONDS, CPU UTILIZATION IS 117.17%
RHF RI MP2 ENERGY
ESCF= -4559.0026917375
E(2)= -7.6694339623
E(MP2)= -4566.6721256997
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
25.031672 24.179790 -20.204974 40.242861
iFrag= 116 jFrag= 96 EFMOc= -4566.672125700
iFrag= 116 jFrag= 96 EFMOu= -4559.002691737 Tr= 0.000250974
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0007954347
--------------------------------------
FINAL EFP ENERGY = -0.0007954347
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
4.911278 -0.998634 8.151624 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.723604 1.601583 11.571075 11.807864
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
5.373501 -13.296790 2.522950 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-11.503176 5.085984 10.905798 16.647123
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
5.142389 -7.147712 5.337287 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-9.779572 6.687566 22.476873 25.408137
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 117 109 corr= MP2 , LL1= 780 ID= 6778
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 117 109 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.2054258972 -4559.2054258972 0.096201816 0.000000000 0.000000000 1.000000000 29970627 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4558.9729907001 0.2324351971 0.009629704 0.005856476 0.000000000 0.000000000 29970371 0
3 2 0 -4558.9740529967 -0.0010622966 0.004862364 0.001657623 0.000000000 0.000000000 29957972 0
4 3 0 -4558.9741833433 -0.0001303466 0.001359826 0.000826733 0.000000000 0.000000000 29932890 0
5 4 0 -4558.9741979413 -0.0000145980 0.000340626 0.000262853 0.000000000 0.000000000 29794702 0
6 5 0 -4558.9741994889 -0.0000015477 0.000201146 0.000066067 0.000000000 0.000000000 29550070 0
7 6 0 -4558.9741996704 -0.0000001815 0.000023787 0.000014194 0.000000000 0.000000000 29458322 0
8 7 0 -4558.9741996747 -0.0000000043 0.000012574 0.000005800 0.000000000 0.000000000 28913776 0
9 8 0 -4558.9741996754 -0.0000000007 0.000001981 0.000001173 0.000000000 0.000000000 28711144 0
10 9 0 -4558.9741996755 -0.0000000000 0.000000835 0.000000262 0.000000000 0.000000000 28159340 0
11 10 0 -4558.9741996755 -0.0000000000 0.000000252 0.000000080 0.000000000 0.000000000 27900563 0
12 11 0 -4558.9741996755 0.0000000000 0.000000061 0.000000026 0.000000000 0.000000000 27587193 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.3 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4558.9741996755 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.99 TOTAL CPU TIME= 1920.5 ( 32.0 MIN)
TOTAL WALL CLOCK TIME= 1635.9 SECONDS, CPU UTILIZATION IS 117.39%
RHF RI MP2 ENERGY
ESCF= -4558.9741996755
E(2)= -7.6692829958
E(MP2)= -4566.6434826713
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-9.714179 6.638916 22.547193 25.432585
iFrag= 117 jFrag= 109 EFMOc= -4566.643482671
iFrag= 117 jFrag= 109 EFMOu= -4558.974199675 Tr= 0.000795435
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0003750295
--------------------------------------
FINAL EFP ENERGY = -0.0003750295
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
3.992416 1.333897 2.698430 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.662988 -9.600514 8.175775 12.888160
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
3.470318 0.296228 -2.137017 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.854949 10.178283 -1.290042 10.295271
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
3.731367 0.815062 0.280707 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.517937 0.577769 6.885733 7.753903
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 119 8 corr= MP2 , LL1= 780 ID= 6910
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 119 8 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0723266254 -4559.0723266254 0.045312386 0.000000000 0.000000000 1.000000000 26417100 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0591417240 0.0131849015 0.013138244 0.004475104 0.000000000 0.000000000 26416123 0
3 2 0 -4559.0596705636 -0.0005288396 0.006958474 0.001729847 0.000000000 0.000000000 26410901 0
4 3 0 -4559.0597406820 -0.0000701184 0.000871684 0.000546990 0.000000000 0.000000000 26402241 0
5 4 0 -4559.0597477335 -0.0000070515 0.000236977 0.000116592 0.000000000 0.000000000 26276845 0
6 5 0 -4559.0597481109 -0.0000003774 0.000076441 0.000030145 0.000000000 0.000000000 26073768 0
7 6 0 -4559.0597481526 -0.0000000416 0.000017545 0.000011024 0.000000000 0.000000000 25851430 0
8 7 0 -4559.0597481544 -0.0000000018 0.000007589 0.000003962 0.000000000 0.000000000 25615643 0
9 8 0 -4559.0597481548 -0.0000000004 0.000001522 0.000000656 0.000000000 0.000000000 25512316 0
10 9 0 -4559.0597481549 -0.0000000000 0.000000343 0.000000155 0.000000000 0.000000000 25270489 0
11 10 0 -4559.0597481548 0.0000000000 0.000000114 0.000000052 0.000000000 0.000000000 25041760 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.0 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0597481548 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.32 TOTAL CPU TIME= 1937.8 ( 32.3 MIN)
TOTAL WALL CLOCK TIME= 1647.7 SECONDS, CPU UTILIZATION IS 117.61%
RHF RI MP2 ENERGY
ESCF= -4559.0597481548
E(2)= -7.6717538203
E(MP2)= -4566.7315019751
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.716814 0.515172 7.374118 8.273919
iFrag= 119 jFrag= 8 EFMOc= -4566.731501975
iFrag= 119 jFrag= 8 EFMOu= -4559.059748155 Tr= 0.000375030
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0001211602
--------------------------------------
FINAL EFP ENERGY = -0.0001211602
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
3.816627 0.175063 -4.538430 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.787391 9.018594 18.817270 20.881683
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
6.131578 -5.314389 1.888818 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-7.236302 6.665658 -17.159090 19.779521
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
4.974103 -2.569663 -1.324806 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.448911 15.684252 1.658180 17.039183
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 120 17 corr= MP2 , LL1= 780 ID= 7037
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 120 17 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4558.9898676930 -4558.9898676930 0.014813722 0.000000000 0.000000000 1.000000000 23957871 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4558.9900851011 -0.0002174081 0.002819084 0.001256132 0.000000000 0.000000000 23952388 0
3 2 0 -4558.9901098014 -0.0000247003 0.001152107 0.000444156 0.000000000 0.000000000 23902186 0
4 3 0 -4558.9901132430 -0.0000034415 0.000341750 0.000147453 0.000000000 0.000000000 23812140 0
5 4 0 -4558.9901135725 -0.0000003295 0.000094295 0.000026471 0.000000000 0.000000000 23642980 0
6 5 0 -4558.9901135910 -0.0000000185 0.000018275 0.000007485 0.000000000 0.000000000 23400917 0
7 6 0 -4558.9901135927 -0.0000000017 0.000003786 0.000001856 0.000000000 0.000000000 23039679 0
8 7 0 -4558.9901135928 -0.0000000001 0.000002177 0.000000744 0.000000000 0.000000000 22763080 0
9 8 0 -4558.9901135928 0.0000000000 0.000000307 0.000000176 0.000000000 0.000000000 22677516 0
10 9 0 -4558.9901135928 0.0000000000 0.000000126 0.000000067 0.000000000 0.000000000 22294688 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 1.8 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.5 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4558.9901135928 AFTER 10 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.40 TOTAL CPU TIME= 1955.2 ( 32.6 MIN)
TOTAL WALL CLOCK TIME= 1659.3 SECONDS, CPU UTILIZATION IS 117.83%
RHF RI MP2 ENERGY
ESCF= -4558.9901135928
E(2)= -7.6651729752
E(MP2)= -4566.6552865680
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.444517 15.668808 1.655202 17.023015
iFrag= 120 jFrag= 17 EFMOc= -4566.655286568
iFrag= 120 jFrag= 17 EFMOu= -4558.990113593 Tr= 0.000121160
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0001748308
--------------------------------------
FINAL EFP ENERGY = -0.0001748308
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-1.530626 0.802641 3.152245 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.725651 2.689855 -21.053239 21.548890
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.046706 6.746798 -0.013668 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.185877 -0.453157 -6.930008 7.280688
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-0.788666 3.774720 1.569288 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-5.911528 2.236698 -27.983247 28.688170
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 121 27 corr= MP2 , LL1= 780 ID= 7166
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 121 27 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0711574600 -4559.0711574600 0.047184099 0.000000000 0.000000000 1.000000000 29222793 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0720610642 -0.0009036042 0.009463359 0.003117051 0.000000000 0.000000000 29221478 0
3 2 0 -4559.0721868492 -0.0001257849 0.003465504 0.000822574 0.000000000 0.000000000 29210448 0
4 3 0 -4559.0721975017 -0.0000106525 0.000456730 0.000371983 0.000000000 0.000000000 29181772 0
5 4 0 -4559.0721986837 -0.0000011820 0.000191990 0.000059700 0.000000000 0.000000000 28897121 0
6 5 0 -4559.0721987666 -0.0000000828 0.000056973 0.000017390 0.000000000 0.000000000 28729901 0
7 6 0 -4559.0721987770 -0.0000000104 0.000007813 0.000002861 0.000000000 0.000000000 28455492 0
8 7 0 -4559.0721987773 -0.0000000003 0.000003541 0.000001105 0.000000000 0.000000000 28038713 0
9 8 0 -4559.0721987773 -0.0000000000 0.000000634 0.000000555 0.000000000 0.000000000 27896717 0
10 9 0 -4559.0721987773 -0.0000000000 0.000000150 0.000000121 0.000000000 0.000000000 27433427 0
11 10 0 -4559.0721987773 0.0000000000 0.000000074 0.000000029 0.000000000 0.000000000 27119095 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.1 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0721987773 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.75 TOTAL CPU TIME= 1972.9 ( 32.9 MIN)
TOTAL WALL CLOCK TIME= 1671.1 SECONDS, CPU UTILIZATION IS 118.06%
RHF RI MP2 ENERGY
ESCF= -4559.0721987773
E(2)= -7.6694967873
E(MP2)= -4566.7416955646
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-5.934605 2.198813 -27.937110 28.645007
iFrag= 121 jFrag= 27 EFMOc= -4566.741695565
iFrag= 121 jFrag= 27 EFMOu= -4559.072198777 Tr= 0.000174831
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002719427
--------------------------------------
FINAL EFP ENERGY = -0.0002719427
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
5.705433 2.746563 -0.835380 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
17.276639 -5.172391 14.796326 23.327391
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
3.494236 4.808626 5.586405 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
16.177333 -8.983526 6.781927 19.707978
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
4.599835 3.777594 2.375512 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
33.453972 -14.155918 21.578253 42.251382
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 122 34 corr= MP2 , LL1= 780 ID= 7293
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 122 34 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0694743178 -4559.0694743178 0.048820682 0.000000000 0.000000000 1.000000000 30160290 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0398991516 0.0295751662 0.010293242 0.003868439 0.000000000 0.000000000 30158940 0
3 2 0 -4559.0401090453 -0.0002098938 0.004429700 0.001243068 0.000000000 0.000000000 30144609 0
4 3 0 -4559.0401320682 -0.0000230228 0.000358591 0.000259634 0.000000000 0.000000000 30105604 0
5 4 0 -4559.0401328317 -0.0000007635 0.000142532 0.000062737 0.000000000 0.000000000 29660102 0
6 5 0 -4559.0401329989 -0.0000001672 0.000041760 0.000019339 0.000000000 0.000000000 29426976 0
7 6 0 -4559.0401330077 -0.0000000088 0.000011545 0.000004517 0.000000000 0.000000000 29030992 0
8 7 0 -4559.0401330083 -0.0000000006 0.000004621 0.000001369 0.000000000 0.000000000 28646263 0
9 8 0 -4559.0401330083 -0.0000000001 0.000000853 0.000000547 0.000000000 0.000000000 28364391 0
10 9 0 -4559.0401330083 0.0000000000 0.000000233 0.000000129 0.000000000 0.000000000 27793189 0
11 10 0 -4559.0401330084 -0.0000000000 0.000000077 0.000000027 0.000000000 0.000000000 27371071 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.1 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0401330084 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.80 TOTAL CPU TIME= 1990.7 ( 33.2 MIN)
TOTAL WALL CLOCK TIME= 1683.2 SECONDS, CPU UTILIZATION IS 118.27%
RHF RI MP2 ENERGY
ESCF= -4559.0401330084
E(2)= -7.6692394607
E(MP2)= -4566.7093724690
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
33.444271 -14.148031 21.513984 42.208264
iFrag= 122 jFrag= 34 EFMOc= -4566.709372469
iFrag= 122 jFrag= 34 EFMOu= -4559.040133008 Tr= 0.000271943
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0001962699
--------------------------------------
FINAL EFP ENERGY = -0.0001962699
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
1.190119 2.143964 4.200499 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.285112 1.917384 10.267965 10.524209
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-3.588109 -2.358332 -4.703904 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-4.289956 -0.389544 0.449228 4.330967
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.198995 -0.107184 -0.251702 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.004844 1.527840 10.717193 11.234840
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 123 42 corr= MP2 , LL1= 780 ID= 7422
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 123 42 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0433500994 -4559.0433500994 0.023174274 0.000000000 0.000000000 1.000000000 23852493 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0441281129 -0.0007780135 0.005632352 0.002075014 0.000000000 0.000000000 23849450 0
3 2 0 -4559.0441934928 -0.0000653799 0.002407309 0.000489985 0.000000000 0.000000000 23832056 0
4 3 0 -4559.0442012025 -0.0000077097 0.000298838 0.000250373 0.000000000 0.000000000 23779261 0
5 4 0 -4559.0442019169 -0.0000007144 0.000139828 0.000052457 0.000000000 0.000000000 23471171 0
6 5 0 -4559.0442019654 -0.0000000486 0.000036790 0.000010669 0.000000000 0.000000000 23350366 0
7 6 0 -4559.0442019707 -0.0000000053 0.000007156 0.000002028 0.000000000 0.000000000 23165358 0
8 7 0 -4559.0442019709 -0.0000000002 0.000001995 0.000000793 0.000000000 0.000000000 22825771 0
9 8 0 -4559.0442019709 -0.0000000001 0.000000660 0.000000248 0.000000000 0.000000000 22470755 0
10 9 0 -4559.0442019709 0.0000000000 0.000000207 0.000000150 0.000000000 0.000000000 22286502 0
11 10 0 -4559.0442019709 0.0000000000 0.000000043 0.000000023 0.000000000 0.000000000 22064950 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.0 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0442019709 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.77 TOTAL CPU TIME= 2008.5 ( 33.5 MIN)
TOTAL WALL CLOCK TIME= 1695.1 SECONDS, CPU UTILIZATION IS 118.49%
RHF RI MP2 ENERGY
ESCF= -4559.0442019709
E(2)= -7.6654890018
E(MP2)= -4566.7096909727
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.055818 1.546831 10.769972 11.301460
iFrag= 123 jFrag= 42 EFMOc= -4566.709690973
iFrag= 123 jFrag= 42 EFMOu= -4559.044201971 Tr= 0.000196270
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0000693625
--------------------------------------
FINAL EFP ENERGY = -0.0000693625
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
1.779067 2.914368 -4.471235 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.740176 -5.715014 4.567223 9.947406
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
2.105441 2.081255 3.046020 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.400386 9.699521 8.009723 14.594592
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
1.942254 2.497811 -0.712608 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
14.140562 3.984508 12.576947 19.339374
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 124 48 corr= MP2 , LL1= 780 ID= 7550
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 124 48 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0554756341 -4559.0554756341 0.003586837 0.000000000 0.000000000 1.000000000 24653410 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0555630955 -0.0000874615 0.000810792 0.000488700 0.000000000 0.000000000 24619734 0
3 2 0 -4559.0555695170 -0.0000064215 0.000577267 0.000177248 0.000000000 0.000000000 24478115 0
4 3 0 -4559.0555705910 -0.0000010740 0.000088691 0.000067263 0.000000000 0.000000000 24419472 0
5 4 0 -4559.0555706737 -0.0000000827 0.000021010 0.000011567 0.000000000 0.000000000 24129714 0
6 5 0 -4559.0555706793 -0.0000000056 0.000007345 0.000003952 0.000000000 0.000000000 23881330 0
7 6 0 -4559.0555706799 -0.0000000006 0.000001836 0.000000847 0.000000000 0.000000000 23658687 0
8 7 0 -4559.0555706799 -0.0000000000 0.000000525 0.000000248 0.000000000 0.000000000 23413565 0
9 8 0 -4559.0555706799 0.0000000000 0.000000176 0.000000099 0.000000000 0.000000000 23084215 0
10 9 0 -4559.0555706799 -0.0000000000 0.000000047 0.000000041 0.000000000 0.000000000 22869643 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 1.9 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.5 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0555706799 AFTER 10 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.53 TOTAL CPU TIME= 2026.0 ( 33.8 MIN)
TOTAL WALL CLOCK TIME= 1706.7 SECONDS, CPU UTILIZATION IS 118.71%
RHF RI MP2 ENERGY
ESCF= -4559.0555706799
E(2)= -7.6685818570
E(MP2)= -4566.7241525369
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
14.140568 3.984845 12.576130 19.338917
iFrag= 124 jFrag= 48 EFMOc= -4566.724152537
iFrag= 124 jFrag= 48 EFMOu= -4559.055570680 Tr= 0.000069362
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0003183549
--------------------------------------
FINAL EFP ENERGY = -0.0003183549
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
2.607809 9.046029 -0.694010 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.316778 -7.474229 -4.940589 9.254241
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-2.056000 5.312591 -1.397214 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.818709 3.021519 11.756354 12.461403
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.275904 7.179310 -1.045612 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-5.135487 -4.452709 6.815765 9.625721
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 125 50 corr= MP2 , LL1= 780 ID= 7675
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 125 50 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0471173443 -4559.0471173443 0.038202443 0.000000000 0.000000000 1.000000000 23913907 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0457119370 0.0014054073 0.009243368 0.003056401 0.000000000 0.000000000 23912697 0
3 2 0 -4559.0459584585 -0.0002465215 0.004180179 0.001255144 0.000000000 0.000000000 23905098 0
4 3 0 -4559.0459893675 -0.0000309090 0.000623680 0.000443077 0.000000000 0.000000000 23885229 0
5 4 0 -4559.0459921216 -0.0000027541 0.000203010 0.000085390 0.000000000 0.000000000 23727059 0
6 5 0 -4559.0459922577 -0.0000001361 0.000041255 0.000019042 0.000000000 0.000000000 23508567 0
7 6 0 -4559.0459922703 -0.0000000126 0.000007895 0.000003629 0.000000000 0.000000000 23254264 0
8 7 0 -4559.0459922707 -0.0000000005 0.000003234 0.000001333 0.000000000 0.000000000 22873210 0
9 8 0 -4559.0459922708 -0.0000000000 0.000000771 0.000000361 0.000000000 0.000000000 22703645 0
10 9 0 -4559.0459922708 -0.0000000000 0.000000242 0.000000173 0.000000000 0.000000000 22512803 0
11 10 0 -4559.0459922708 0.0000000000 0.000000056 0.000000029 0.000000000 0.000000000 22325744 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.0 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0459922708 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.58 TOTAL CPU TIME= 2043.6 ( 34.1 MIN)
TOTAL WALL CLOCK TIME= 1718.4 SECONDS, CPU UTILIZATION IS 118.92%
RHF RI MP2 ENERGY
ESCF= -4559.0459922708
E(2)= -7.6666876571
E(MP2)= -4566.7126799279
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-5.146713 -4.457883 6.805500 9.626849
iFrag= 125 jFrag= 50 EFMOc= -4566.712679928
iFrag= 125 jFrag= 50 EFMOu= -4559.045992271 Tr= 0.000318355
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0003395926
--------------------------------------
FINAL EFP ENERGY = -0.0003395926
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
5.890813 0.197758 10.127512 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-5.527501 -3.745240 4.426049 8.010618
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-1.196761 -6.362523 8.523129 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.456697 1.390016 7.609823 8.116459
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.347026 -3.082382 9.325321 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.070804 -2.355224 12.035873 12.642751
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 126 56 corr= MP2 , LL1= 780 ID= 7805
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 126 56 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0355444533 -4559.0355444533 0.038390197 0.000000000 0.000000000 1.000000000 23804332 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0215734419 0.0139710115 0.008875493 0.003208028 0.000000000 0.000000000 23803287 0
3 2 0 -4559.0217438867 -0.0001704448 0.003802453 0.000807521 0.000000000 0.000000000 23794531 0
4 3 0 -4559.0217630561 -0.0000191694 0.000553966 0.000377283 0.000000000 0.000000000 23770988 0
5 4 0 -4559.0217652189 -0.0000021627 0.000235268 0.000082600 0.000000000 0.000000000 23558426 0
6 5 0 -4559.0217653906 -0.0000001717 0.000098976 0.000024417 0.000000000 0.000000000 23417180 0
7 6 0 -4559.0217654140 -0.0000000235 0.000016540 0.000004286 0.000000000 0.000000000 23199484 0
8 7 0 -4559.0217654147 -0.0000000007 0.000007496 0.000001659 0.000000000 0.000000000 22940488 0
9 8 0 -4559.0217654148 -0.0000000001 0.000001217 0.000000642 0.000000000 0.000000000 22756937 0
10 9 0 -4559.0217654148 0.0000000000 0.000000285 0.000000282 0.000000000 0.000000000 22486199 0
11 10 0 -4559.0217654148 -0.0000000000 0.000000154 0.000000052 0.000000000 0.000000000 22196045 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.0 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0217654148 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.60 TOTAL CPU TIME= 2061.2 ( 34.4 MIN)
TOTAL WALL CLOCK TIME= 1730.1 SECONDS, CPU UTILIZATION IS 119.14%
RHF RI MP2 ENERGY
ESCF= -4559.0217654148
E(2)= -7.6661095286
E(MP2)= -4566.6878749434
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.004401 -2.456133 11.926154 12.541618
iFrag= 126 jFrag= 56 EFMOc= -4566.687874943
iFrag= 126 jFrag= 56 EFMOu= -4559.021765415 Tr= 0.000339593
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0000947477
--------------------------------------
FINAL EFP ENERGY = -0.0000947477
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
4.784365 -1.401851 5.328628 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.492121 -18.979950 19.749676 28.150237
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.505678 -2.301525 2.626947 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.023835 4.796580 3.747192 8.563598
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.139343 -1.851688 3.977787 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.468286 -14.183370 23.496868 27.449774
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 127 57 corr= MP2 , LL1= 780 ID= 7931
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 127 57 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0427437023 -4559.0427437023 0.013172151 0.000000000 0.000000000 1.000000000 23657573 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0430827597 -0.0003390574 0.002630847 0.000816236 0.000000000 0.000000000 23653456 0
3 2 0 -4559.0431010312 -0.0000182715 0.000933049 0.000218790 0.000000000 0.000000000 23623053 0
4 3 0 -4559.0431029325 -0.0000019013 0.000145238 0.000099504 0.000000000 0.000000000 23553346 0
5 4 0 -4559.0431031610 -0.0000002284 0.000084037 0.000024819 0.000000000 0.000000000 23221007 0
6 5 0 -4559.0431031801 -0.0000000191 0.000027548 0.000006349 0.000000000 0.000000000 23122785 0
7 6 0 -4559.0431031820 -0.0000000019 0.000004845 0.000001821 0.000000000 0.000000000 22904258 0
8 7 0 -4559.0431031821 -0.0000000001 0.000001973 0.000000649 0.000000000 0.000000000 22698689 0
9 8 0 -4559.0431031821 -0.0000000000 0.000000205 0.000000132 0.000000000 0.000000000 22595742 0
10 9 0 -4559.0431031821 0.0000000000 0.000000100 0.000000059 0.000000000 0.000000000 22186878 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 1.8 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.5 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0431031821 AFTER 10 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.44 TOTAL CPU TIME= 2078.6 ( 34.6 MIN)
TOTAL WALL CLOCK TIME= 1741.6 SECONDS, CPU UTILIZATION IS 119.35%
RHF RI MP2 ENERGY
ESCF= -4559.0431031821
E(2)= -7.6653424652
E(MP2)= -4566.7084456473
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.469936 -14.181441 23.503260 27.454278
iFrag= 127 jFrag= 57 EFMOc= -4566.708445647
iFrag= 127 jFrag= 57 EFMOu= -4559.043103182 Tr= 0.000094748
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002733819
--------------------------------------
FINAL EFP ENERGY = -0.0002733819
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-2.925844 -8.073332 2.292572 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.174373 -1.209289 14.682962 14.892268
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.505678 -2.301525 2.626947 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.082435 4.791965 3.678730 8.572747
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.715761 -5.187428 2.459760 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-8.256808 3.582676 18.361692 20.449014
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 128 57 corr= MP2 , LL1= 780 ID= 8057
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 128 57 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0397617777 -4559.0397617777 0.030995731 0.000000000 0.000000000 1.000000000 25754659 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0364604875 0.0033012901 0.008122999 0.002076200 0.000000000 0.000000000 25752581 0
3 2 0 -4559.0365436197 -0.0000831322 0.003669016 0.000714000 0.000000000 0.000000000 25742405 0
4 3 0 -4559.0365529873 -0.0000093676 0.000504438 0.000270899 0.000000000 0.000000000 25710271 0
5 4 0 -4559.0365541940 -0.0000012068 0.000222990 0.000072481 0.000000000 0.000000000 25442525 0
6 5 0 -4559.0365542954 -0.0000001013 0.000121979 0.000019615 0.000000000 0.000000000 25284625 0
7 6 0 -4559.0365543087 -0.0000000134 0.000013217 0.000002659 0.000000000 0.000000000 25184277 0
8 7 0 -4559.0365543091 -0.0000000003 0.000004677 0.000001570 0.000000000 0.000000000 24717128 0
9 8 0 -4559.0365543091 -0.0000000000 0.000000877 0.000000425 0.000000000 0.000000000 24452956 0
10 9 0 -4559.0365543091 0.0000000000 0.000000199 0.000000084 0.000000000 0.000000000 23955708 0
11 10 0 -4559.0365543091 -0.0000000000 0.000000110 0.000000025 0.000000000 0.000000000 23607093 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.1 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0365543091 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.69 TOTAL CPU TIME= 2096.3 ( 34.9 MIN)
TOTAL WALL CLOCK TIME= 1753.4 SECONDS, CPU UTILIZATION IS 119.56%
RHF RI MP2 ENERGY
ESCF= -4559.0365543091
E(2)= -7.6656897001
E(MP2)= -4566.7022440093
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-8.291643 3.682895 18.353493 20.473538
iFrag= 128 jFrag= 57 EFMOc= -4566.702244009
iFrag= 128 jFrag= 57 EFMOu= -4559.036554309 Tr= 0.000273382
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0006642488
--------------------------------------
FINAL EFP ENERGY = -0.0006642488
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
0.550801 9.022940 -7.118313 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.400039 5.963521 -15.864038 17.285588
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.505678 -2.301525 2.626947 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.189078 4.832155 3.580518 8.629862
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.022561 3.360708 -2.245683 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-9.589117 10.795676 -12.283519 18.957390
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 129 57 corr= MP2 , LL1= 780 ID= 8184
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 129 57 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.1079287167 -4559.1079287167 0.071174858 0.000000000 0.000000000 1.000000000 26274687 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0214890618 0.0864396548 0.009360335 0.003462379 0.000000000 0.000000000 26274282 0
3 2 0 -4559.0221466618 -0.0006576000 0.005863757 0.001330958 0.000000000 0.000000000 26262088 0
4 3 0 -4559.0222385616 -0.0000918997 0.001138906 0.000714276 0.000000000 0.000000000 26248132 0
5 4 0 -4559.0222448308 -0.0000062692 0.000344523 0.000275904 0.000000000 0.000000000 26114140 0
6 5 0 -4559.0222459713 -0.0000011405 0.000160320 0.000052511 0.000000000 0.000000000 25876842 0
7 6 0 -4559.0222460621 -0.0000000908 0.000024683 0.000007692 0.000000000 0.000000000 25686772 0
8 7 0 -4559.0222460659 -0.0000000039 0.000012339 0.000003880 0.000000000 0.000000000 25196051 0
9 8 0 -4559.0222460664 -0.0000000005 0.000002855 0.000001899 0.000000000 0.000000000 25049169 0
10 9 0 -4559.0222460665 -0.0000000000 0.000000589 0.000000561 0.000000000 0.000000000 24725076 0
11 10 0 -4559.0222460665 -0.0000000000 0.000000282 0.000000092 0.000000000 0.000000000 24469052 0
12 11 0 -4559.0222460665 0.0000000000 0.000000119 0.000000025 0.000000000 0.000000000 24294082 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.2 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0222460665 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.88 TOTAL CPU TIME= 2114.2 ( 35.2 MIN)
TOTAL WALL CLOCK TIME= 1765.2 SECONDS, CPU UTILIZATION IS 119.77%
RHF RI MP2 ENERGY
ESCF= -4559.0222460665
E(2)= -7.6680270036
E(MP2)= -4566.6902730701
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-9.778800 11.049093 -12.557822 19.375404
iFrag= 129 jFrag= 57 EFMOc= -4566.690273070
iFrag= 129 jFrag= 57 EFMOu= -4559.022246066 Tr= 0.000664249
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0000900546
--------------------------------------
FINAL EFP ENERGY = -0.0000900546
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-9.080623 -3.979035 7.753915 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
11.380664 3.195787 -5.154747 12.895890
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
6.131578 -5.314389 1.888818 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-7.214086 6.745835 -17.159680 19.799090
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.474522 -4.646712 4.821367 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.166577 9.941622 -22.314427 24.781644
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 93 17 corr= MP2 , LL1= 780 ID= 8312
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 93 17 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0431527466 -4559.0431527466 0.021716251 0.000000000 0.000000000 1.000000000 21605995 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0437014772 -0.0005487306 0.003788241 0.001709366 0.000000000 0.000000000 21603307 0
3 2 0 -4559.0437348614 -0.0000333842 0.001393982 0.000653879 0.000000000 0.000000000 21557687 0
4 3 0 -4559.0437385823 -0.0000037209 0.000351823 0.000183793 0.000000000 0.000000000 21487246 0
5 4 0 -4559.0437390496 -0.0000004673 0.000103207 0.000056094 0.000000000 0.000000000 21310911 0
6 5 0 -4559.0437390773 -0.0000000277 0.000023818 0.000014704 0.000000000 0.000000000 21092769 0
7 6 0 -4559.0437390797 -0.0000000024 0.000003868 0.000002101 0.000000000 0.000000000 20818033 0
8 7 0 -4559.0437390798 -0.0000000001 0.000001620 0.000000749 0.000000000 0.000000000 20532737 0
9 8 0 -4559.0437390798 -0.0000000000 0.000000247 0.000000171 0.000000000 0.000000000 20422144 0
10 9 0 -4559.0437390798 0.0000000000 0.000000100 0.000000079 0.000000000 0.000000000 20120137 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 1.8 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.5 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0437390798 AFTER 10 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.36 TOTAL CPU TIME= 2131.6 ( 35.5 MIN)
TOTAL WALL CLOCK TIME= 1776.9 SECONDS, CPU UTILIZATION IS 119.96%
RHF RI MP2 ENERGY
ESCF= -4559.0437390798
E(2)= -7.6638493281
E(MP2)= -4566.7075884079
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.155301 9.947739 -22.322431 24.789412
iFrag= 93 jFrag= 17 EFMOc= -4566.707588408
iFrag= 93 jFrag= 17 EFMOu= -4559.043739080 Tr= 0.000090055
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0004493620
--------------------------------------
FINAL EFP ENERGY = -0.0004493620
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
5.497345 -3.594613 -6.290012 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.138013 -10.820610 -5.936406 12.394417
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.580385 -2.261774 -2.293038 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.475133 2.857212 4.953949 5.906038
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.458480 -2.928193 -4.291525 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.613146 -7.963397 -0.982457 8.438569
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 131 55 corr= MP2 , LL1= 780 ID= 8439
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 131 55 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0560459852 -4559.0560459852 0.042502179 0.000000000 0.000000000 1.000000000 28060244 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0391431824 0.0169028027 0.007491305 0.002426048 0.000000000 0.000000000 28058741 0
3 2 0 -4559.0393730390 -0.0002298566 0.003051380 0.000825213 0.000000000 0.000000000 28038288 0
4 3 0 -4559.0393973456 -0.0000243066 0.000607714 0.000268291 0.000000000 0.000000000 27991200 0
5 4 0 -4559.0393990586 -0.0000017130 0.000196763 0.000085860 0.000000000 0.000000000 27729425 0
6 5 0 -4559.0393993226 -0.0000002640 0.000114083 0.000022944 0.000000000 0.000000000 27464147 0
7 6 0 -4559.0393993478 -0.0000000252 0.000017008 0.000004526 0.000000000 0.000000000 27327668 0
8 7 0 -4559.0393993487 -0.0000000009 0.000005529 0.000001542 0.000000000 0.000000000 26875749 0
9 8 0 -4559.0393993488 -0.0000000001 0.000000763 0.000000407 0.000000000 0.000000000 26597456 0
10 9 0 -4559.0393993488 0.0000000000 0.000000382 0.000000170 0.000000000 0.000000000 25928069 0
11 10 0 -4559.0393993488 -0.0000000000 0.000000108 0.000000030 0.000000000 0.000000000 25753702 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.1 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0393993488 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.81 TOTAL CPU TIME= 2149.4 ( 35.8 MIN)
TOTAL WALL CLOCK TIME= 1788.8 SECONDS, CPU UTILIZATION IS 120.16%
RHF RI MP2 ENERGY
ESCF= -4559.0393993488
E(2)= -7.6672124566
E(MP2)= -4566.7066118054
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.565173 -7.854971 -0.875364 8.309449
iFrag= 131 jFrag= 55 EFMOc= -4566.706611805
iFrag= 131 jFrag= 55 EFMOu= -4559.039399349 Tr= 0.000449362
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0003225535
--------------------------------------
FINAL EFP ENERGY = -0.0003225535
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-5.474747 -0.063029 5.667076 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.093607 0.872854 -10.061341 10.562332
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
10.577144 -1.867239 -5.914108 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
8.940682 -1.651781 9.683496 13.282856
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.551199 -0.965134 -0.123516 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
12.034289 -0.778927 -0.377845 12.065389
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 132 52 corr= MP2 , LL1= 780 ID= 8566
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 132 52 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0734147799 -4559.0734147799 0.056334226 0.000000000 0.000000000 1.000000000 29873389 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0549187724 0.0184960075 0.011062954 0.003352190 0.000000000 0.000000000 29872396 0
3 2 0 -4559.0551527592 -0.0002339868 0.004333725 0.001004462 0.000000000 0.000000000 29862186 0
4 3 0 -4559.0551766576 -0.0000238984 0.000553686 0.000213403 0.000000000 0.000000000 29830481 0
5 4 0 -4559.0551779720 -0.0000013144 0.000228464 0.000084001 0.000000000 0.000000000 29526014 0
6 5 0 -4559.0551782306 -0.0000002586 0.000109477 0.000026552 0.000000000 0.000000000 29283265 0
7 6 0 -4559.0551782545 -0.0000000239 0.000018894 0.000004094 0.000000000 0.000000000 29106201 0
8 7 0 -4559.0551782553 -0.0000000008 0.000005706 0.000001462 0.000000000 0.000000000 28643110 0
9 8 0 -4559.0551782554 -0.0000000001 0.000001160 0.000000510 0.000000000 0.000000000 28358247 0
10 9 0 -4559.0551782554 -0.0000000000 0.000000298 0.000000231 0.000000000 0.000000000 27929991 0
11 10 0 -4559.0551782554 -0.0000000000 0.000000120 0.000000048 0.000000000 0.000000000 27441403 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.1 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0551782554 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.80 TOTAL CPU TIME= 2167.2 ( 36.1 MIN)
TOTAL WALL CLOCK TIME= 1800.7 SECONDS, CPU UTILIZATION IS 120.35%
RHF RI MP2 ENERGY
ESCF= -4559.0551782554
E(2)= -7.6681470001
E(MP2)= -4566.7233252556
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
11.997631 -0.857318 -0.283386 12.031560
iFrag= 132 jFrag= 52 EFMOc= -4566.723325256
iFrag= 132 jFrag= 52 EFMOu= -4559.055178255 Tr= 0.000322554
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0004148287
--------------------------------------
FINAL EFP ENERGY = -0.0004148287
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
3.743012 6.425396 -4.234808 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-8.040015 0.510319 8.097933 11.422732
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
2.174656 3.608286 -2.562328 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.621317 -14.417499 -12.436109 21.332857
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.958834 5.016841 -3.398568 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.581301 -13.907179 -4.338175 14.653665
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 133 49 corr= MP2 , LL1= 780 ID= 8694
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 133 49 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0513423477 -4559.0513423477 0.024186791 0.000000000 0.000000000 1.000000000 29188239 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0456831937 0.0056591540 0.006389048 0.001965806 0.000000000 0.000000000 29184292 0
3 2 0 -4559.0458516254 -0.0001684317 0.003933339 0.000806821 0.000000000 0.000000000 29158868 0
4 3 0 -4559.0458775255 -0.0000259001 0.000553496 0.000338377 0.000000000 0.000000000 29123384 0
5 4 0 -4559.0458796090 -0.0000020835 0.000171677 0.000079085 0.000000000 0.000000000 28832925 0
6 5 0 -4559.0458797296 -0.0000001205 0.000066521 0.000019023 0.000000000 0.000000000 28551029 0
7 6 0 -4559.0458797411 -0.0000000115 0.000021874 0.000005441 0.000000000 0.000000000 28334802 0
8 7 0 -4559.0458797418 -0.0000000007 0.000006169 0.000001497 0.000000000 0.000000000 28060545 0
9 8 0 -4559.0458797419 -0.0000000001 0.000001263 0.000000597 0.000000000 0.000000000 27735069 0
10 9 0 -4559.0458797419 -0.0000000000 0.000000327 0.000000238 0.000000000 0.000000000 27414493 0
11 10 0 -4559.0458797419 -0.0000000000 0.000000174 0.000000039 0.000000000 0.000000000 27051046 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.1 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0458797419 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.72 TOTAL CPU TIME= 2184.9 ( 36.4 MIN)
TOTAL WALL CLOCK TIME= 1812.7 SECONDS, CPU UTILIZATION IS 120.53%
RHF RI MP2 ENERGY
ESCF= -4559.0458797419
E(2)= -7.6697511765
E(MP2)= -4566.7156309184
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.422384 -13.907948 -4.495741 14.685567
iFrag= 133 jFrag= 49 EFMOc= -4566.715630918
iFrag= 133 jFrag= 49 EFMOu= -4559.045879742 Tr= 0.000414829
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0001500982
--------------------------------------
FINAL EFP ENERGY = -0.0001500982
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
10.087630 -5.073490 4.290780 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.867864 11.093517 -4.867719 12.716964
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
3.340083 2.366448 -0.459878 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.237656 0.345711 6.102657 6.117060
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
6.713856 -1.353521 1.915451 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.105520 11.439228 1.234938 12.216231
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 134 46 corr= MP2 , LL1= 780 ID= 8823
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 134 46 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0509785844 -4559.0509785844 0.021922645 0.000000000 0.000000000 1.000000000 26531758 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0516036867 -0.0006251023 0.004861438 0.002014420 0.000000000 0.000000000 26528159 0
3 2 0 -4559.0516493673 -0.0000456806 0.001959617 0.000566798 0.000000000 0.000000000 26500242 0
4 3 0 -4559.0516545884 -0.0000052211 0.000337875 0.000302380 0.000000000 0.000000000 26434677 0
5 4 0 -4559.0516551330 -0.0000005446 0.000122021 0.000053662 0.000000000 0.000000000 26125746 0
6 5 0 -4559.0516551638 -0.0000000308 0.000037718 0.000012485 0.000000000 0.000000000 25873475 0
7 6 0 -4559.0516551673 -0.0000000036 0.000003135 0.000001888 0.000000000 0.000000000 25612519 0
8 7 0 -4559.0516551674 -0.0000000001 0.000001786 0.000000642 0.000000000 0.000000000 25038561 0
9 8 0 -4559.0516551674 -0.0000000000 0.000000482 0.000000329 0.000000000 0.000000000 24908967 0
10 9 0 -4559.0516551674 0.0000000000 0.000000171 0.000000174 0.000000000 0.000000000 24373807 0
11 10 0 -4559.0516551675 -0.0000000000 0.000000042 0.000000027 0.000000000 0.000000000 24062408 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.1 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0516551675 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.36 TOTAL CPU TIME= 2202.3 ( 36.7 MIN)
TOTAL WALL CLOCK TIME= 1824.5 SECONDS, CPU UTILIZATION IS 120.71%
RHF RI MP2 ENERGY
ESCF= -4559.0516551675
E(2)= -7.6637118548
E(MP2)= -4566.7153670223
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.072973 11.429347 1.277126 12.200416
iFrag= 134 jFrag= 46 EFMOc= -4566.715367022
iFrag= 134 jFrag= 46 EFMOu= -4559.051655167 Tr= 0.000150098
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0005015031
--------------------------------------
FINAL EFP ENERGY = -0.0005015031
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
5.883627 6.665417 -6.270180 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.397407 -4.911238 1.858738 5.266222
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.308744 4.843723 -9.490749 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.677696 -12.551796 -5.196115 15.137332
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
3.596186 5.754570 -7.880464 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.280289 -17.463034 -3.337377 18.855706
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 135 40 corr= MP2 , LL1= 780 ID= 8950
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 135 40 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0294438182 -4559.0294438182 0.040368824 0.000000000 0.000000000 1.000000000 27206442 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4558.9864600992 0.0429837190 0.006026659 0.002808868 0.000000000 0.000000000 27204889 0
3 2 0 -4558.9867145337 -0.0002544345 0.003857870 0.000949838 0.000000000 0.000000000 27189288 0
4 3 0 -4558.9867476126 -0.0000330790 0.000728981 0.000437537 0.000000000 0.000000000 27172262 0
5 4 0 -4558.9867510641 -0.0000034515 0.000181992 0.000114257 0.000000000 0.000000000 26976702 0
6 5 0 -4558.9867514543 -0.0000003902 0.000159561 0.000031336 0.000000000 0.000000000 26722059 0
7 6 0 -4558.9867514938 -0.0000000394 0.000021838 0.000006632 0.000000000 0.000000000 26691253 0
8 7 0 -4558.9867514948 -0.0000000011 0.000007182 0.000001999 0.000000000 0.000000000 26230456 0
9 8 0 -4558.9867514950 -0.0000000002 0.000001403 0.000000793 0.000000000 0.000000000 26016317 0
10 9 0 -4558.9867514950 0.0000000000 0.000000339 0.000000191 0.000000000 0.000000000 25609387 0
11 10 0 -4558.9867514950 -0.0000000000 0.000000233 0.000000051 0.000000000 0.000000000 25247116 0
----------------
ENERGY CONVERGED
----------------
TIME TO FORM FOCK OPERATORS= 2.0 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4558.9867514950 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.66 TOTAL CPU TIME= 2219.9 ( 37.0 MIN)
TOTAL WALL CLOCK TIME= 1836.3 SECONDS, CPU UTILIZATION IS 120.89%
RHF RI MP2 ENERGY
ESCF= -4558.9867514950
E(2)= -7.6686235960
E(MP2)= -4566.6553750910
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.383120 -17.419445 -3.426792 18.865953
iFrag= 135 jFrag= 40 EFMOc= -4566.655375091
iFrag= 135 jFrag= 40 EFMOu= -4558.986751495 Tr= 0.000501503
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002195795
--------------------------------------
FINAL EFP ENERGY = -0.0002195795
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
5.247404 -4.872816 2.984121 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.295548 -3.463241 12.482295 13.155655
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
4.227568 -3.127243 -6.925006 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.613643 -8.494881 5.774967 10.889061
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
4.737486 -4.000029 -1.970443 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.318095 -11.958122 18.257262 21.864622
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 136 35 corr= MP2 , LL1= 780 ID= 9079
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 136 35 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0701631408 -4559.0701631408 0.019510280 0.000000000 0.000000000 1.000000000 32388120 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0709327895 -0.0007696486 0.004205160 0.001594344 0.000000000 0.000000000 32380191 0
3 2 0 -4559.0710045949 -0.0000718054 0.001523613 0.000534934 0.000000000 0.000000000 32319682 0
4 3 0 -4559.0710121352 -0.0000075403 0.000321748 0.000196977 0.000000000 0.000000000 32195193 0
5 4 0 -4559.0710127972 -0.0000006619 0.000112857 0.000068900 0.000000000 0.000000000 31808097 0
6 5 0 -4559.0710128648 -0.0000000676 0.000055770 0.000016973 0.000000000 0.000000000 31473304 0
7 6 0 -4559.0710128717 -0.0000000069 0.000012163 0.000003728 0.000000000 0.000000000 31253635 0
8 7 0 -4559.0710128720 -0.0000000003 0.000004580 0.000001111 0.000000000 0.000000000 30707596 0
9 8 0 -4559.0710128720 -0.0000000000 0.000000829 0.000000539 0.000000000 0.000000000 30327974 0
10 9 0 -4559.0710128720 -0.0000000000 0.000000160 0.000000124 0.000000000 0.000000000 29754901 0
11 10 0 -4559.0710128720 0.0000000000 0.000000056 0.000000023 0.000000000 0.000000000 29203506 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.1 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0710128720 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.79 TOTAL CPU TIME= 2237.7 ( 37.3 MIN)
TOTAL WALL CLOCK TIME= 1848.2 SECONDS, CPU UTILIZATION IS 121.08%
RHF RI MP2 ENERGY
ESCF= -4559.0710128720
E(2)= -7.6670176309
E(MP2)= -4566.7380305029
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.284046 -11.955160 18.278644 21.878836
iFrag= 136 jFrag= 35 EFMOc= -4566.738030503
iFrag= 136 jFrag= 35 EFMOu= -4559.071012872 Tr= 0.000219579
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002378092
--------------------------------------
FINAL EFP ENERGY = -0.0002378092
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-2.772093 2.850854 -5.624585 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.472738 11.740373 -17.944229 21.448898
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.046706 6.746798 -0.013668 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.180564 -0.449745 -6.853797 7.206363
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.409399 4.798826 -2.819127 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.707826 11.290628 -24.798027 27.300862
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 137 27 corr= MP2 , LL1= 780 ID= 9206
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 137 27 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0624263967 -4559.0624263967 0.046810747 0.000000000 0.000000000 1.000000000 30624417 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0619795238 0.0004468729 0.012991173 0.004583577 0.000000000 0.000000000 30623227 0
3 2 0 -4559.0622322264 -0.0002527027 0.005639095 0.001329224 0.000000000 0.000000000 30617542 0
4 3 0 -4559.0622629462 -0.0000307197 0.000639115 0.000430114 0.000000000 0.000000000 30605504 0
5 4 0 -4559.0622647027 -0.0000017565 0.000281459 0.000114068 0.000000000 0.000000000 30378652 0
6 5 0 -4559.0622649503 -0.0000002476 0.000069730 0.000021457 0.000000000 0.000000000 30229597 0
7 6 0 -4559.0622649686 -0.0000000183 0.000014452 0.000005032 0.000000000 0.000000000 29853761 0
8 7 0 -4559.0622649695 -0.0000000009 0.000006076 0.000001877 0.000000000 0.000000000 29592319 0
9 8 0 -4559.0622649697 -0.0000000001 0.000001465 0.000000394 0.000000000 0.000000000 29430829 0
10 9 0 -4559.0622649697 0.0000000000 0.000000328 0.000000239 0.000000000 0.000000000 29004777 0
11 10 0 -4559.0622649697 0.0000000000 0.000000078 0.000000042 0.000000000 0.000000000 28609035 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.1 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0622649697 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.73 TOTAL CPU TIME= 2255.4 ( 37.6 MIN)
TOTAL WALL CLOCK TIME= 1860.0 SECONDS, CPU UTILIZATION IS 121.26%
RHF RI MP2 ENERGY
ESCF= -4559.0622649697
E(2)= -7.6699560216
E(MP2)= -4566.7322209912
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.693949 11.332300 -24.775259 27.296592
iFrag= 137 jFrag= 27 EFMOc= -4566.732220991
iFrag= 137 jFrag= 27 EFMOu= -4559.062264970 Tr= 0.000237809
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0003730884
--------------------------------------
FINAL EFP ENERGY = -0.0003730884
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
0.874082 7.875525 1.145546 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.386507 -17.832450 3.948155 18.268376
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-9.419876 -5.282664 -0.949563 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.279758 8.285639 3.960964 11.125484
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-4.272897 1.296431 0.097992 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.666264 -9.546811 7.909119 14.076038
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 138 19 corr= MP2 , LL1= 780 ID= 9334
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 138 19 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0549969342 -4559.0549969342 0.041776668 0.000000000 0.000000000 1.000000000 23760726 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0385925059 0.0164044283 0.010856325 0.005409871 0.000000000 0.000000000 23760022 0
3 2 0 -4559.0389888336 -0.0003963277 0.005364208 0.001815235 0.000000000 0.000000000 23754628 0
4 3 0 -4559.0390469015 -0.0000580679 0.001105340 0.000613673 0.000000000 0.000000000 23744114 0
5 4 0 -4559.0390525855 -0.0000056840 0.000270147 0.000118444 0.000000000 0.000000000 23649899 0
6 5 0 -4559.0390529284 -0.0000003428 0.000111776 0.000036995 0.000000000 0.000000000 23515631 0
7 6 0 -4559.0390529621 -0.0000000337 0.000023323 0.000006015 0.000000000 0.000000000 23391054 0
8 7 0 -4559.0390529633 -0.0000000012 0.000010837 0.000002893 0.000000000 0.000000000 23099373 0
9 8 0 -4559.0390529635 -0.0000000002 0.000001662 0.000001139 0.000000000 0.000000000 22989758 0
10 9 0 -4559.0390529635 -0.0000000000 0.000000427 0.000000125 0.000000000 0.000000000 22723822 0
11 10 0 -4559.0390529635 0.0000000000 0.000000118 0.000000059 0.000000000 0.000000000 22518008 0
12 11 0 -4559.0390529635 -0.0000000000 0.000000030 0.000000016 0.000000000 0.000000000 22311713 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.2 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0390529635 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.78 TOTAL CPU TIME= 2273.2 ( 37.9 MIN)
TOTAL WALL CLOCK TIME= 1871.9 SECONDS, CPU UTILIZATION IS 121.44%
RHF RI MP2 ENERGY
ESCF= -4559.0390529635
E(2)= -7.6683380319
E(MP2)= -4566.7073909954
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.829442 -9.520336 7.911321 14.137435
iFrag= 138 jFrag= 19 EFMOc= -4566.707390995
iFrag= 138 jFrag= 19 EFMOu= -4559.039052963 Tr= 0.000373088
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0013007293
--------------------------------------
FINAL EFP ENERGY = -0.0013007293
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
5.512111 3.331625 -7.121855 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
18.805336 -5.670446 4.117750 20.068644
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
5.322898 10.514235 -4.794131 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.477316 1.522796 -4.154499 5.627654
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
5.417505 6.922930 -5.957993 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
15.328020 -4.147650 -0.036749 15.879312
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 139 10 corr= MP2 , LL1= 780 ID= 9462
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 139 10 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.2006597053 -4559.2006597053 0.100874383 0.000000000 0.000000000 1.000000000 41212254 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0034121945 0.1972475108 0.011312138 0.004726873 0.000000000 0.000000000 41211893 0
3 2 0 -4559.0048788429 -0.0014666483 0.004929474 0.001759108 0.000000000 0.000000000 41195944 0
4 3 0 -4559.0050555354 -0.0001766926 0.001227017 0.001091398 0.000000000 0.000000000 41167262 0
5 4 0 -4559.0050753538 -0.0000198184 0.000394129 0.000131783 0.000000000 0.000000000 40993669 0
6 5 0 -4559.0050768565 -0.0000015027 0.000222563 0.000051108 0.000000000 0.000000000 40766470 0
7 6 0 -4559.0050770346 -0.0000001781 0.000036817 0.000012965 0.000000000 0.000000000 40532737 0
8 7 0 -4559.0050770414 -0.0000000068 0.000014456 0.000005314 0.000000000 0.000000000 39839931 0
9 8 0 -4559.0050770429 -0.0000000015 0.000002557 0.000001327 0.000000000 0.000000000 39519408 0
10 9 0 -4559.0050770430 -0.0000000000 0.000000690 0.000000248 0.000000000 0.000000000 38874701 0
11 10 0 -4559.0050770429 0.0000000000 0.000000172 0.000000079 0.000000000 0.000000000 38436956 0
12 11 0 -4559.0050770430 -0.0000000000 0.000000051 0.000000025 0.000000000 0.000000000 37641041 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.4 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0050770430 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 18.16 TOTAL CPU TIME= 2291.4 ( 38.2 MIN)
TOTAL WALL CLOCK TIME= 1884.2 SECONDS, CPU UTILIZATION IS 121.61%
RHF RI MP2 ENERGY
ESCF= -4559.0050770430
E(2)= -7.6765024298
E(MP2)= -4566.6815794727
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
14.966852 -3.972483 -0.148907 15.485783
iFrag= 139 jFrag= 10 EFMOc= -4566.681579473
iFrag= 139 jFrag= 10 EFMOu= -4559.005077043 Tr= 0.001300729
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002159214
--------------------------------------
FINAL EFP ENERGY = -0.0002159214
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
3.358304 0.758024 5.456604 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.823205 -6.547658 -3.603777 9.474638
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.429802 -2.908890 0.746084 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.746382 7.687606 2.234464 8.463730
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.394053 -1.075433 3.101344 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.076823 1.139947 -1.369313 3.555466
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 92 54 corr= MP2 , LL1= 780 ID= 9593
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 92 54 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0165182626 -4559.0165182626 0.052967176 0.000000000 0.000000000 1.000000000 25220808 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0174069185 -0.0008886559 0.012199046 0.003412302 0.000000000 0.000000000 25220193 0
3 2 0 -4559.0175297823 -0.0001228638 0.004901484 0.000873521 0.000000000 0.000000000 25214087 0
4 3 0 -4559.0175423117 -0.0000125294 0.000451941 0.000271329 0.000000000 0.000000000 25199780 0
5 4 0 -4559.0175433969 -0.0000010852 0.000265452 0.000086587 0.000000000 0.000000000 24937856 0
6 5 0 -4559.0175435109 -0.0000001140 0.000096596 0.000019511 0.000000000 0.000000000 24842988 0
7 6 0 -4559.0175435237 -0.0000000128 0.000011308 0.000004356 0.000000000 0.000000000 24628769 0
8 7 0 -4559.0175435242 -0.0000000005 0.000008718 0.000002804 0.000000000 0.000000000 24258210 0
9 8 0 -4559.0175435242 -0.0000000001 0.000001167 0.000000683 0.000000000 0.000000000 24208591 0
10 9 0 -4559.0175435242 0.0000000000 0.000000241 0.000000206 0.000000000 0.000000000 23704511 0
11 10 0 -4559.0175435243 -0.0000000000 0.000000092 0.000000031 0.000000000 0.000000000 23350273 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.0 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0175435243 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.72 TOTAL CPU TIME= 2309.1 ( 38.5 MIN)
TOTAL WALL CLOCK TIME= 1896.0 SECONDS, CPU UTILIZATION IS 121.79%
RHF RI MP2 ENERGY
ESCF= -4559.0175435243
E(2)= -7.6648568111
E(MP2)= -4566.6824003354
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.119945 1.192010 -1.406591 3.624009
iFrag= 92 jFrag= 54 EFMOc= -4566.682400335
iFrag= 92 jFrag= 54 EFMOu= -4559.017543524 Tr= 0.000215921
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0005616576
--------------------------------------
FINAL EFP ENERGY = -0.0005616576
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
0.944260 4.900223 -5.523049 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.825132 0.768836 7.020683 7.294670
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
5.497345 -3.594613 -6.290012 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.077815 -11.115133 -5.920775 12.639756
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
3.220803 0.652805 -5.906531 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.902947 -10.346297 1.099908 10.801979
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 140 131 corr= MP2 , LL1= 780 ID= 9721
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 140 131 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0899997666 -4559.0899997666 0.076060470 0.000000000 0.000000000 1.000000000 25088784 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0357942832 0.0542054834 0.008506152 0.003179884 0.000000000 0.000000000 25088428 0
3 2 0 -4559.0362486908 -0.0004544076 0.004285963 0.000993041 0.000000000 0.000000000 25076077 0
4 3 0 -4559.0363072336 -0.0000585428 0.000843750 0.000486942 0.000000000 0.000000000 25053401 0
5 4 0 -4559.0363138495 -0.0000066159 0.000221689 0.000091865 0.000000000 0.000000000 24944889 0
6 5 0 -4559.0363142624 -0.0000004129 0.000096562 0.000032413 0.000000000 0.000000000 24702962 0
7 6 0 -4559.0363143059 -0.0000000434 0.000023141 0.000007299 0.000000000 0.000000000 24569661 0
8 7 0 -4559.0363143077 -0.0000000018 0.000007373 0.000003168 0.000000000 0.000000000 24363094 0
9 8 0 -4559.0363143080 -0.0000000003 0.000001651 0.000000663 0.000000000 0.000000000 24107073 0
10 9 0 -4559.0363143080 -0.0000000000 0.000000416 0.000000147 0.000000000 0.000000000 23846629 0
11 10 0 -4559.0363143080 0.0000000000 0.000000129 0.000000045 0.000000000 0.000000000 23537047 0
12 11 0 -4559.0363143080 -0.0000000000 0.000000028 0.000000011 0.000000000 0.000000000 23351719 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.2 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0363143080 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.87 TOTAL CPU TIME= 2327.0 ( 38.8 MIN)
TOTAL WALL CLOCK TIME= 1908.0 SECONDS, CPU UTILIZATION IS 121.96%
RHF RI MP2 ENERGY
ESCF= -4559.0363143080
E(2)= -7.6675299658
E(MP2)= -4566.7038442738
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.817174 -10.793529 1.054592 11.204860
iFrag= 140 jFrag= 131 EFMOc= -4566.703844274
iFrag= 140 jFrag= 131 EFMOu= -4559.036314308 Tr= 0.000561658
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0003463480
--------------------------------------
FINAL EFP ENERGY = -0.0003463480
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
7.192852 -2.760140 -1.931506 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.609039 3.516357 10.522199 13.452840
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
-1.530626 0.802641 3.152245 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.758998 2.526234 -21.040208 21.522135
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.831113 -0.978749 0.610369 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.850041 6.042591 -10.518009 12.726517
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 141 121 corr= MP2 , LL1= 780 ID= 9850
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 141 121 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0891382248 -4559.0891382248 0.074334088 0.000000000 0.000000000 1.000000000 31293960 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0358445206 0.0532937042 0.010809023 0.002812226 0.000000000 0.000000000 31293432 0
3 2 0 -4559.0362755209 -0.0004310004 0.004035533 0.001019857 0.000000000 0.000000000 31283305 0
4 3 0 -4559.0363151517 -0.0000396308 0.000767309 0.000395844 0.000000000 0.000000000 31250609 0
5 4 0 -4559.0363182111 -0.0000030594 0.000228684 0.000154613 0.000000000 0.000000000 31061545 0
6 5 0 -4559.0363186768 -0.0000004657 0.000148944 0.000036096 0.000000000 0.000000000 30807931 0
7 6 0 -4559.0363187329 -0.0000000561 0.000020449 0.000006441 0.000000000 0.000000000 30715942 0
8 7 0 -4559.0363187347 -0.0000000018 0.000008017 0.000002502 0.000000000 0.000000000 30179647 0
9 8 0 -4559.0363187349 -0.0000000002 0.000001708 0.000000639 0.000000000 0.000000000 29961990 0
10 9 0 -4559.0363187349 -0.0000000000 0.000000471 0.000000348 0.000000000 0.000000000 29607024 0
11 10 0 -4559.0363187349 -0.0000000000 0.000000170 0.000000056 0.000000000 0.000000000 29296353 0
12 11 0 -4559.0363187349 0.0000000000 0.000000050 0.000000014 0.000000000 0.000000000 28992806 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.3 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0363187349 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.99 TOTAL CPU TIME= 2345.0 ( 39.1 MIN)
TOTAL WALL CLOCK TIME= 1920.1 SECONDS, CPU UTILIZATION IS 122.13%
RHF RI MP2 ENERGY
ESCF= -4559.0363187349
E(2)= -7.6722351084
E(MP2)= -4566.7085538432
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.852307 5.949428 -10.554654 12.713641
iFrag= 141 jFrag= 121 EFMOc= -4566.708553843
iFrag= 141 jFrag= 121 EFMOu= -4559.036318735 Tr= 0.000346348
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002187968
--------------------------------------
FINAL EFP ENERGY = -0.0002187968
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
1.621692 -1.227531 -3.670444 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.054383 -1.073141 -5.993855 6.179778
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
-4.056733 -4.432143 -2.250088 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
13.468286 -14.702616 8.034348 21.496800
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.217520 -2.829837 -2.960266 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
12.413903 -15.775757 2.040493 20.177788
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 142 111 corr= MP2 , LL1= 780 ID= 9980
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 142 111 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0519287948 -4559.0519287948 0.033506220 0.000000000 0.000000000 1.000000000 24673378 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0484066721 0.0035221227 0.009370255 0.002773615 0.000000000 0.000000000 24671885 0
3 2 0 -4559.0485200481 -0.0001133760 0.004456613 0.000896803 0.000000000 0.000000000 24664361 0
4 3 0 -4559.0485351026 -0.0000150545 0.000519974 0.000292031 0.000000000 0.000000000 24647687 0
5 4 0 -4559.0485359487 -0.0000008460 0.000203145 0.000089209 0.000000000 0.000000000 24457860 0
6 5 0 -4559.0485360538 -0.0000001052 0.000035332 0.000015276 0.000000000 0.000000000 24306007 0
7 6 0 -4559.0485360602 -0.0000000063 0.000013495 0.000003517 0.000000000 0.000000000 23959107 0
8 7 0 -4559.0485360606 -0.0000000004 0.000003989 0.000001823 0.000000000 0.000000000 23841490 0
9 8 0 -4559.0485360606 -0.0000000001 0.000001135 0.000000634 0.000000000 0.000000000 23654229 0
10 9 0 -4559.0485360606 -0.0000000000 0.000000279 0.000000209 0.000000000 0.000000000 23434906 0
11 10 0 -4559.0485360606 0.0000000000 0.000000083 0.000000031 0.000000000 0.000000000 23088466 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.0 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0485360606 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.64 TOTAL CPU TIME= 2362.6 ( 39.4 MIN)
TOTAL WALL CLOCK TIME= 1931.8 SECONDS, CPU UTILIZATION IS 122.30%
RHF RI MP2 ENERGY
ESCF= -4559.0485360606
E(2)= -7.6660855621
E(MP2)= -4566.7146216227
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
12.587026 -15.851130 2.056193 20.345011
iFrag= 142 jFrag= 111 EFMOc= -4566.714621623
iFrag= 142 jFrag= 111 EFMOu= -4559.048536061 Tr= 0.000218797
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0004572173
--------------------------------------
FINAL EFP ENERGY = -0.0004572173
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
0.435440 5.232913 0.190960 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.625996 -3.179295 5.591157 6.462261
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-1.771597 0.897440 -5.416300 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.165231 -3.172670 -3.955539 5.202873
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-0.668079 3.065176 -2.612670 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.539235 -6.351965 1.635618 6.581297
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 143 95 corr= MP2 , LL1= 780 ID= 10105
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 143 95 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0450675109 -4559.0450675109 0.029485247 0.000000000 0.000000000 1.000000000 26644182 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0280026344 0.0170648766 0.007995389 0.003030784 0.000000000 0.000000000 26642223 0
3 2 0 -4559.0281881027 -0.0001854683 0.004607459 0.001209037 0.000000000 0.000000000 26630945 0
4 3 0 -4559.0282148702 -0.0000267675 0.000701209 0.000364268 0.000000000 0.000000000 26615199 0
5 4 0 -4559.0282166336 -0.0000017633 0.000229796 0.000130734 0.000000000 0.000000000 26374437 0
6 5 0 -4559.0282169054 -0.0000002718 0.000114533 0.000020675 0.000000000 0.000000000 26186126 0
7 6 0 -4559.0282169274 -0.0000000220 0.000027021 0.000004752 0.000000000 0.000000000 26078523 0
8 7 0 -4559.0282169282 -0.0000000009 0.000008679 0.000001732 0.000000000 0.000000000 25839603 0
9 8 0 -4559.0282169284 -0.0000000001 0.000000875 0.000000363 0.000000000 0.000000000 25571449 0
10 9 0 -4559.0282169284 -0.0000000000 0.000000375 0.000000131 0.000000000 0.000000000 25002063 0
11 10 0 -4559.0282169284 0.0000000000 0.000000174 0.000000039 0.000000000 0.000000000 24884002 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.0 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0282169284 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.64 TOTAL CPU TIME= 2380.2 ( 39.7 MIN)
TOTAL WALL CLOCK TIME= 1943.5 SECONDS, CPU UTILIZATION IS 122.47%
RHF RI MP2 ENERGY
ESCF= -4559.0282169284
E(2)= -7.6687492759
E(MP2)= -4566.6969662043
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.644928 -6.222574 1.656332 6.471460
iFrag= 143 jFrag= 95 EFMOc= -4566.696966204
iFrag= 143 jFrag= 95 EFMOu= -4559.028216928 Tr= 0.000457217
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002618892
--------------------------------------
FINAL EFP ENERGY = -0.0002618892
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-2.752195 4.474526 1.415069 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.408272 7.410261 -3.699020 13.301385
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-4.686738 -2.125229 6.533275 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.736918 12.659293 7.809718 16.766314
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-3.719467 1.174648 3.974172 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
18.145190 20.069554 4.110697 27.366636
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 144 82 corr= MP2 , LL1= 780 ID= 10234
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 144 82 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0574910666 -4559.0574910666 0.033927213 0.000000000 0.000000000 1.000000000 22494303 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0516446660 0.0058464006 0.005600674 0.002175157 0.000000000 0.000000000 22493287 0
3 2 0 -4559.0518046992 -0.0001600332 0.004028579 0.000888607 0.000000000 0.000000000 22476675 0
4 3 0 -4559.0518296255 -0.0000249263 0.000732998 0.000492326 0.000000000 0.000000000 22465270 0
5 4 0 -4559.0518318934 -0.0000022678 0.000158138 0.000074885 0.000000000 0.000000000 22352449 0
6 5 0 -4559.0518320144 -0.0000001211 0.000089475 0.000025351 0.000000000 0.000000000 22082248 0
7 6 0 -4559.0518320285 -0.0000000141 0.000019217 0.000005716 0.000000000 0.000000000 22016266 0
8 7 0 -4559.0518320292 -0.0000000007 0.000006181 0.000002457 0.000000000 0.000000000 21798715 0
9 8 0 -4559.0518320293 -0.0000000001 0.000001419 0.000000895 0.000000000 0.000000000 21628784 0
10 9 0 -4559.0518320293 0.0000000000 0.000000287 0.000000120 0.000000000 0.000000000 21366394 0
11 10 0 -4559.0518320293 -0.0000000000 0.000000165 0.000000037 0.000000000 0.000000000 21148182 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.0 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0518320293 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.60 TOTAL CPU TIME= 2397.8 ( 40.0 MIN)
TOTAL WALL CLOCK TIME= 1955.3 SECONDS, CPU UTILIZATION IS 122.63%
RHF RI MP2 ENERGY
ESCF= -4559.0518320293
E(2)= -7.6642382680
E(MP2)= -4566.7160702973
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
18.036375 20.255342 4.149868 27.437403
iFrag= 144 jFrag= 82 EFMOc= -4566.716070297
iFrag= 144 jFrag= 82 EFMOu= -4559.051832029 Tr= 0.000261889
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002976693
--------------------------------------
FINAL EFP ENERGY = -0.0002976693
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
1.744833 -7.553885 -0.220732 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.360305 -8.556948 -13.730035 16.349503
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-1.176089 -0.369697 8.173426 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.647508 -8.340890 -18.941044 21.015183
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.284372 -3.961791 3.976347 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.287203 -16.897838 -32.671079 36.804799
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 145 66 corr= MP2 , LL1= 780 ID= 10361
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 145 66 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0788088209 -4559.0788088209 0.078978721 0.000000000 0.000000000 1.000000000 26184612 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0246936198 0.0541152011 0.005853692 0.002989217 0.000000000 0.000000000 26184360 0
3 2 0 -4559.0249585941 -0.0002649743 0.002534049 0.000768312 0.000000000 0.000000000 26158730 0
4 3 0 -4559.0249835580 -0.0000249638 0.000871906 0.000546639 0.000000000 0.000000000 26105755 0
5 4 0 -4559.0249868426 -0.0000032846 0.000164727 0.000090601 0.000000000 0.000000000 25993082 0
6 5 0 -4559.0249870295 -0.0000001869 0.000099888 0.000036134 0.000000000 0.000000000 25675609 0
7 6 0 -4559.0249870559 -0.0000000264 0.000011352 0.000007168 0.000000000 0.000000000 25556784 0
8 7 0 -4559.0249870566 -0.0000000008 0.000005649 0.000003077 0.000000000 0.000000000 25076560 0
9 8 0 -4559.0249870567 -0.0000000001 0.000001570 0.000000891 0.000000000 0.000000000 24906411 0
10 9 0 -4559.0249870567 -0.0000000000 0.000000603 0.000000229 0.000000000 0.000000000 24558585 0
11 10 0 -4559.0249870568 -0.0000000000 0.000000181 0.000000038 0.000000000 0.000000000 24383265 0
12 11 0 -4559.0249870567 0.0000000000 0.000000036 0.000000015 0.000000000 0.000000000 24158589 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.2 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0249870567 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.93 TOTAL CPU TIME= 2415.8 ( 40.3 MIN)
TOTAL WALL CLOCK TIME= 1967.3 SECONDS, CPU UTILIZATION IS 122.80%
RHF RI MP2 ENERGY
ESCF= -4559.0249870567
E(2)= -7.6670448479
E(MP2)= -4566.6920319047
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.249914 -16.806295 -32.570658 36.672355
iFrag= 145 jFrag= 66 EFMOc= -4566.692031905
iFrag= 145 jFrag= 66 EFMOu= -4559.024987057 Tr= 0.000297669
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002341735
--------------------------------------
FINAL EFP ENERGY = -0.0002341735
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-9.024754 3.420470 -1.079445 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.218724 -6.502934 -2.675360 7.035165
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
9.440542 -2.739730 -4.577614 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.099695 3.391651 10.749148 11.993956
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.207894 0.340370 -2.828529 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.318419 -3.111283 8.073788 9.670309
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 146 51 corr= MP2 , LL1= 780 ID= 10490
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 146 51 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0510873843 -4559.0510873843 0.042862281 0.000000000 0.000000000 1.000000000 24421346 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0469461005 0.0041412838 0.012049268 0.004080685 0.000000000 0.000000000 24420601 0
3 2 0 -4559.0471751956 -0.0002290951 0.006159115 0.001444926 0.000000000 0.000000000 24416902 0
4 3 0 -4559.0472050478 -0.0000298522 0.000770106 0.000636228 0.000000000 0.000000000 24408462 0
5 4 0 -4559.0472081882 -0.0000031404 0.000242055 0.000109923 0.000000000 0.000000000 24276290 0
6 5 0 -4559.0472083586 -0.0000001704 0.000107567 0.000031824 0.000000000 0.000000000 24181725 0
7 6 0 -4559.0472083762 -0.0000000176 0.000012082 0.000008585 0.000000000 0.000000000 24114370 0
8 7 0 -4559.0472083768 -0.0000000007 0.000006222 0.000003680 0.000000000 0.000000000 23686782 0
9 8 0 -4559.0472083769 -0.0000000001 0.000001162 0.000000508 0.000000000 0.000000000 23569000 0
10 9 0 -4559.0472083769 0.0000000000 0.000000338 0.000000089 0.000000000 0.000000000 23291549 0
11 10 0 -4559.0472083770 -0.0000000000 0.000000097 0.000000039 0.000000000 0.000000000 23135479 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.0 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0472083770 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.63 TOTAL CPU TIME= 2433.4 ( 40.6 MIN)
TOTAL WALL CLOCK TIME= 1979.0 SECONDS, CPU UTILIZATION IS 122.96%
RHF RI MP2 ENERGY
ESCF= -4559.0472083770
E(2)= -7.6677307325
E(MP2)= -4566.7149391094
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.258697 -2.996709 7.846835 9.417515
iFrag= 146 jFrag= 51 EFMOc= -4566.714939109
iFrag= 146 jFrag= 51 EFMOu= -4559.047208377 Tr= 0.000234174
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0006137827
--------------------------------------
FINAL EFP ENERGY = -0.0006137827
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
0.808047 10.191823 -1.641130 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-13.904188 2.609433 -0.827310 14.171098
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-5.358172 5.089957 -4.721797 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
16.720994 -4.776563 4.919731 18.072381
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-2.275063 7.640890 -3.181464 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.816806 -2.167130 4.092421 5.420218
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 147 33 corr= MP2 , LL1= 780 ID= 10617
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 147 33 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.1244677131 -4559.1244677131 0.083760414 0.000000000 0.000000000 1.000000000 26358324 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0418407037 0.0826270093 0.006603878 0.003608719 0.000000000 0.000000000 26358098 0
3 2 0 -4559.0423568280 -0.0005161243 0.004051545 0.001144530 0.000000000 0.000000000 26344691 0
4 3 0 -4559.0424212073 -0.0000643792 0.001350358 0.000640321 0.000000000 0.000000000 26327745 0
5 4 0 -4559.0424277768 -0.0000065695 0.000204662 0.000131842 0.000000000 0.000000000 26262384 0
6 5 0 -4559.0424283655 -0.0000005886 0.000174319 0.000043960 0.000000000 0.000000000 26020326 0
7 6 0 -4559.0424284329 -0.0000000675 0.000028128 0.000007809 0.000000000 0.000000000 25974703 0
8 7 0 -4559.0424284349 -0.0000000020 0.000010974 0.000002688 0.000000000 0.000000000 25549152 0
9 8 0 -4559.0424284352 -0.0000000003 0.000001774 0.000001124 0.000000000 0.000000000 25365224 0
10 9 0 -4559.0424284353 -0.0000000000 0.000000346 0.000000226 0.000000000 0.000000000 24987424 0
11 10 0 -4559.0424284353 0.0000000000 0.000000199 0.000000056 0.000000000 0.000000000 24555057 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.0 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0424284353 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.73 TOTAL CPU TIME= 2451.1 ( 40.9 MIN)
TOTAL WALL CLOCK TIME= 1990.9 SECONDS, CPU UTILIZATION IS 123.12%
RHF RI MP2 ENERGY
ESCF= -4559.0424284353
E(2)= -7.6660413488
E(MP2)= -4566.7084697841
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.927707 -2.115888 4.231294 5.563479
iFrag= 147 jFrag= 33 EFMOc= -4566.708469784
iFrag= 147 jFrag= 33 EFMOu= -4559.042428435 Tr= 0.000613783
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0001770953
--------------------------------------
FINAL EFP ENERGY = -0.0001770953
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-7.293070 -12.097248 3.749890 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.540794 -8.400964 -13.297730 16.371458
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.440057 0.242677 -4.615149 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.433569 15.888140 -13.242403 20.687731
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-2.926507 -5.927286 -0.432630 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.107225 7.487176 -26.540134 27.880205
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 148 15 corr= MP2 , LL1= 780 ID= 10745
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 148 15 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0642597342 -4559.0642597342 0.015592946 0.000000000 0.000000000 1.000000000 28386842 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0646230918 -0.0003633576 0.002804290 0.001262376 0.000000000 0.000000000 28380891 0
3 2 0 -4559.0646456044 -0.0000225127 0.001119244 0.000384012 0.000000000 0.000000000 28314379 0
4 3 0 -4559.0646488438 -0.0000032394 0.000338994 0.000127027 0.000000000 0.000000000 28227321 0
5 4 0 -4559.0646491494 -0.0000003055 0.000099493 0.000031070 0.000000000 0.000000000 28029855 0
6 5 0 -4559.0646491708 -0.0000000214 0.000013424 0.000007640 0.000000000 0.000000000 27740280 0
7 6 0 -4559.0646491725 -0.0000000017 0.000004404 0.000001676 0.000000000 0.000000000 27330287 0
8 7 0 -4559.0646491726 -0.0000000001 0.000001949 0.000000536 0.000000000 0.000000000 27076602 0
9 8 0 -4559.0646491726 -0.0000000000 0.000000348 0.000000185 0.000000000 0.000000000 26824495 0
10 9 0 -4559.0646491726 0.0000000000 0.000000154 0.000000066 0.000000000 0.000000000 26352903 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 1.9 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.5 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0646491726 AFTER 10 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.10 TOTAL CPU TIME= 2468.2 ( 41.1 MIN)
TOTAL WALL CLOCK TIME= 2002.4 SECONDS, CPU UTILIZATION IS 123.26%
RHF RI MP2 ENERGY
ESCF= -4559.0646491726
E(2)= -7.6668366419
E(MP2)= -4566.7314858145
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.099954 7.488665 -26.545051 27.884215
iFrag= 148 jFrag= 15 EFMOc= -4566.731485814
iFrag= 148 jFrag= 15 EFMOu= -4559.064649173 Tr= 0.000177095
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0001509592
--------------------------------------
FINAL EFP ENERGY = -0.0001509592
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-7.293070 -12.097248 3.749890 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.593799 -8.425320 -13.362413 16.451234
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
0.435440 5.232913 0.190960 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.563017 -3.149594 5.546825 6.403452
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-3.428815 -3.432168 1.970425 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.156816 -11.574914 -7.815588 14.888076
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 148 143 corr= MP2 , LL1= 780 ID= 10873
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 148 143 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0510325946 -4559.0510325946 0.035054300 0.000000000 0.000000000 1.000000000 26476987 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0476467750 0.0033858196 0.005047823 0.001779095 0.000000000 0.000000000 26475284 0
3 2 0 -4559.0477097073 -0.0000629323 0.002398975 0.000641352 0.000000000 0.000000000 26445070 0
4 3 0 -4559.0477162248 -0.0000065175 0.000365415 0.000157343 0.000000000 0.000000000 26386763 0
5 4 0 -4559.0477167964 -0.0000005716 0.000179908 0.000067144 0.000000000 0.000000000 26108272 0
6 5 0 -4559.0477168992 -0.0000001028 0.000071506 0.000019419 0.000000000 0.000000000 25979548 0
7 6 0 -4559.0477169077 -0.0000000085 0.000008995 0.000002624 0.000000000 0.000000000 25787007 0
8 7 0 -4559.0477169079 -0.0000000002 0.000003284 0.000001236 0.000000000 0.000000000 25362135 0
9 8 0 -4559.0477169080 -0.0000000001 0.000000604 0.000000385 0.000000000 0.000000000 25116775 0
10 9 0 -4559.0477169080 -0.0000000000 0.000000109 0.000000083 0.000000000 0.000000000 24743853 0
11 10 0 -4559.0477169080 0.0000000000 0.000000054 0.000000015 0.000000000 0.000000000 24349739 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.0 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0477169080 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.70 TOTAL CPU TIME= 2485.9 ( 41.4 MIN)
TOTAL WALL CLOCK TIME= 2014.2 SECONDS, CPU UTILIZATION IS 123.42%
RHF RI MP2 ENERGY
ESCF= -4559.0477169080
E(2)= -7.6672595681
E(MP2)= -4566.7149764760
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.101780 -11.550752 -7.842198 14.864323
iFrag= 148 jFrag= 143 EFMOc= -4566.714976476
iFrag= 148 jFrag= 143 EFMOu= -4559.047716908 Tr= 0.000150959
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0001975633
--------------------------------------
FINAL EFP ENERGY = -0.0001975633
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
2.881959 -5.440817 -1.987756 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.940805 -7.533307 13.588801 15.813114
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
1.779067 2.914368 -4.471235 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.695972 -5.680135 4.586112 9.906180
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.330513 -1.263225 -3.229496 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.636777 -13.213442 18.174913 24.449744
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 149 124 corr= MP2 , LL1= 780 ID= 11001
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 149 124 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0628648637 -4559.0628648637 0.029504227 0.000000000 0.000000000 1.000000000 24659520 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0640784572 -0.0012135935 0.006502315 0.001215467 0.000000000 0.000000000 24657989 0
3 2 0 -4559.0641530475 -0.0000745903 0.002316754 0.000297722 0.000000000 0.000000000 24648680 0
4 3 0 -4559.0641602881 -0.0000072406 0.000356141 0.000148218 0.000000000 0.000000000 24614405 0
5 4 0 -4559.0641607930 -0.0000005048 0.000150662 0.000047822 0.000000000 0.000000000 24422900 0
6 5 0 -4559.0641608657 -0.0000000727 0.000031459 0.000009633 0.000000000 0.000000000 24311079 0
7 6 0 -4559.0641608721 -0.0000000064 0.000009075 0.000002099 0.000000000 0.000000000 24065353 0
8 7 0 -4559.0641608724 -0.0000000003 0.000003797 0.000000761 0.000000000 0.000000000 23904229 0
9 8 0 -4559.0641608725 -0.0000000000 0.000000559 0.000000234 0.000000000 0.000000000 23778772 0
10 9 0 -4559.0641608725 0.0000000000 0.000000208 0.000000119 0.000000000 0.000000000 23341068 0
11 10 0 -4559.0641608725 -0.0000000000 0.000000031 0.000000021 0.000000000 0.000000000 23154660 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.0 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0641608725 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.67 TOTAL CPU TIME= 2503.6 ( 41.7 MIN)
TOTAL WALL CLOCK TIME= 2025.9 SECONDS, CPU UTILIZATION IS 123.58%
RHF RI MP2 ENERGY
ESCF= -4559.0641608725
E(2)= -7.6667181627
E(MP2)= -4566.7308790352
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.625175 -13.208729 18.176607 24.443886
iFrag= 149 jFrag= 124 EFMOc= -4566.730879035
iFrag= 149 jFrag= 124 EFMOu= -4559.064160872 Tr= 0.000197563
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0003645799
--------------------------------------
FINAL EFP ENERGY = -0.0003645799
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-4.412477 3.498671 2.739078 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.549117 17.860105 4.199155 18.523344
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
3.520096 -0.307993 4.028574 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.996693 9.852744 0.108984 9.903628
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-0.446191 1.595339 3.383826 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.552424 27.712849 4.308139 28.088647
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 150 105 corr= MP2 , LL1= 780 ID= 11130
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 150 105 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0474178920 -4559.0474178920 0.046800959 0.000000000 0.000000000 1.000000000 25449665 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0419958297 0.0054220623 0.011636535 0.004787890 0.000000000 0.000000000 25448945 0
3 2 0 -4559.0424300433 -0.0004342136 0.006254108 0.001833513 0.000000000 0.000000000 25442598 0
4 3 0 -4559.0424877984 -0.0000577551 0.001326447 0.000735900 0.000000000 0.000000000 25433353 0
5 4 0 -4559.0424928405 -0.0000050421 0.000307103 0.000173047 0.000000000 0.000000000 25352375 0
6 5 0 -4559.0424931773 -0.0000003368 0.000099753 0.000036187 0.000000000 0.000000000 25160014 0
7 6 0 -4559.0424932087 -0.0000000314 0.000020205 0.000008212 0.000000000 0.000000000 24952011 0
8 7 0 -4559.0424932101 -0.0000000014 0.000009882 0.000003109 0.000000000 0.000000000 24691237 0
9 8 0 -4559.0424932103 -0.0000000002 0.000001789 0.000001010 0.000000000 0.000000000 24553059 0
10 9 0 -4559.0424932103 0.0000000000 0.000000536 0.000000156 0.000000000 0.000000000 24235443 0
11 10 0 -4559.0424932103 -0.0000000000 0.000000219 0.000000047 0.000000000 0.000000000 24017603 0
12 11 0 -4559.0424932103 0.0000000000 0.000000036 0.000000017 0.000000000 0.000000000 23896510 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.2 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0424932103 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.97 TOTAL CPU TIME= 2521.6 ( 42.0 MIN)
TOTAL WALL CLOCK TIME= 2038.1 SECONDS, CPU UTILIZATION IS 123.72%
RHF RI MP2 ENERGY
ESCF= -4559.0424932103
E(2)= -7.6669976328
E(MP2)= -4566.7094908431
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.562823 27.465735 4.189869 27.827397
iFrag= 150 jFrag= 105 EFMOc= -4566.709490843
iFrag= 150 jFrag= 105 EFMOu= -4559.042493210 Tr= 0.000364580
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0004558760
--------------------------------------
FINAL EFP ENERGY = -0.0004558760
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-0.730677 1.873885 -1.103253 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.119738 5.695058 15.475511 19.347719
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-3.934245 -1.977295 3.930397 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-7.629117 8.191224 2.676789 11.509334
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-2.332461 -0.051705 1.413572 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.490621 13.886282 18.152300 22.989955
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 151 85 corr= MP2 , LL1= 780 ID= 11259
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 151 85 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0405539482 -4559.0405539482 0.033210097 0.000000000 0.000000000 1.000000000 30082014 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0223162822 0.0182376660 0.009427844 0.003399555 0.000000000 0.000000000 30079678 0
3 2 0 -4559.0227252287 -0.0004089465 0.004743452 0.001248885 0.000000000 0.000000000 30067876 0
4 3 0 -4559.0227791252 -0.0000538965 0.000834307 0.000450313 0.000000000 0.000000000 30047616 0
5 4 0 -4559.0227847898 -0.0000056646 0.000186936 0.000107447 0.000000000 0.000000000 29824640 0
6 5 0 -4559.0227851048 -0.0000003150 0.000128313 0.000031874 0.000000000 0.000000000 29486994 0
7 6 0 -4559.0227851441 -0.0000000393 0.000021907 0.000006278 0.000000000 0.000000000 29423241 0
8 7 0 -4559.0227851457 -0.0000000016 0.000008098 0.000003740 0.000000000 0.000000000 29002749 0
9 8 0 -4559.0227851460 -0.0000000003 0.000001757 0.000000680 0.000000000 0.000000000 28784432 0
10 9 0 -4559.0227851460 -0.0000000001 0.000000287 0.000000176 0.000000000 0.000000000 28361792 0
11 10 0 -4559.0227851460 0.0000000000 0.000000100 0.000000041 0.000000000 0.000000000 27843534 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.1 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0227851460 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.76 TOTAL CPU TIME= 2539.3 ( 42.3 MIN)
TOTAL WALL CLOCK TIME= 2049.9 SECONDS, CPU UTILIZATION IS 123.87%
RHF RI MP2 ENERGY
ESCF= -4559.0227851460
E(2)= -7.6700938493
E(MP2)= -4566.6928789953
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.495261 13.870526 18.211432 23.027681
iFrag= 151 jFrag= 85 EFMOc= -4566.692878995
iFrag= 151 jFrag= 85 EFMOu= -4559.022785146 Tr= 0.000455876
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0003510573
--------------------------------------
FINAL EFP ENERGY = -0.0003510573
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
5.635242 3.065983 -5.326069 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.243701 -1.124265 12.561660 12.673044
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
0.818443 4.300672 9.605564 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.485095 -10.429024 5.215815 12.170257
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
3.226843 3.683328 2.139748 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.241394 -11.553289 17.777474 21.319966
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 152 64 corr= MP2 , LL1= 780 ID= 11388
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 152 64 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0597518015 -4559.0597518015 0.042332884 0.000000000 0.000000000 1.000000000 28518851 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0594786917 0.0002731098 0.009247752 0.002885635 0.000000000 0.000000000 28517570 0
3 2 0 -4559.0597184456 -0.0002397539 0.003571338 0.000716271 0.000000000 0.000000000 28508377 0
4 3 0 -4559.0597451159 -0.0000266703 0.000593818 0.000325429 0.000000000 0.000000000 28468734 0
5 4 0 -4559.0597470181 -0.0000019022 0.000224177 0.000116309 0.000000000 0.000000000 28275379 0
6 5 0 -4559.0597472700 -0.0000002519 0.000092955 0.000023673 0.000000000 0.000000000 28110743 0
7 6 0 -4559.0597472939 -0.0000000239 0.000021041 0.000004924 0.000000000 0.000000000 27957392 0
8 7 0 -4559.0597472950 -0.0000000011 0.000006254 0.000001633 0.000000000 0.000000000 27648013 0
9 8 0 -4559.0597472951 -0.0000000001 0.000001176 0.000000634 0.000000000 0.000000000 27287277 0
10 9 0 -4559.0597472951 -0.0000000000 0.000000390 0.000000326 0.000000000 0.000000000 26846520 0
11 10 0 -4559.0597472951 0.0000000000 0.000000084 0.000000036 0.000000000 0.000000000 26567093 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.1 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0597472951 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.83 TOTAL CPU TIME= 2557.1 ( 42.6 MIN)
TOTAL WALL CLOCK TIME= 2062.0 SECONDS, CPU UTILIZATION IS 124.01%
RHF RI MP2 ENERGY
ESCF= -4559.0597472951
E(2)= -7.6657378314
E(MP2)= -4566.7254851265
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.097723 -11.560293 17.887347 21.400888
iFrag= 152 jFrag= 64 EFMOc= -4566.725485127
iFrag= 152 jFrag= 64 EFMOu= -4559.059747295 Tr= 0.000351057
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0006391254
--------------------------------------
FINAL EFP ENERGY = -0.0006391254
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-5.500674 -5.145704 -4.867158 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.253300 -4.161597 0.099607 4.733516
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-4.319815 -2.589453 1.635054 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.958923 1.365981 -1.142741 8.155748
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-4.910244 -3.867579 -1.616052 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.705623 -2.795616 -1.043133 6.438768
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 153 43 corr= MP2 , LL1= 780 ID= 11518
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 153 43 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0920277323 -4559.0920277323 0.112992823 0.000000000 0.000000000 1.000000000 28852789 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0207898328 0.0712378995 0.011572695 0.004096872 0.000000000 0.000000000 28852665 0
3 2 0 -4559.0213974519 -0.0006076191 0.005483024 0.001581892 0.000000000 0.000000000 28844057 0
4 3 0 -4559.0214618695 -0.0000644176 0.001252205 0.000840385 0.000000000 0.000000000 28829779 0
5 4 0 -4559.0214701036 -0.0000082341 0.000276025 0.000123823 0.000000000 0.000000000 28699586 0
6 5 0 -4559.0214705159 -0.0000004123 0.000119149 0.000045818 0.000000000 0.000000000 28476255 0
7 6 0 -4559.0214705699 -0.0000000540 0.000020465 0.000009916 0.000000000 0.000000000 28282952 0
8 7 0 -4559.0214705714 -0.0000000015 0.000007108 0.000002996 0.000000000 0.000000000 27829454 0
9 8 0 -4559.0214705717 -0.0000000003 0.000001844 0.000001128 0.000000000 0.000000000 27574012 0
10 9 0 -4559.0214705717 -0.0000000000 0.000000516 0.000000279 0.000000000 0.000000000 27222532 0
11 10 0 -4559.0214705717 -0.0000000000 0.000000133 0.000000041 0.000000000 0.000000000 26891903 0
12 11 0 -4559.0214705717 0.0000000000 0.000000037 0.000000021 0.000000000 0.000000000 26484542 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.3 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0214705717 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 18.01 TOTAL CPU TIME= 2575.1 ( 42.9 MIN)
TOTAL WALL CLOCK TIME= 2074.2 SECONDS, CPU UTILIZATION IS 124.15%
RHF RI MP2 ENERGY
ESCF= -4559.0214705717
E(2)= -7.6699443406
E(MP2)= -4566.6914149123
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.666292 -2.722484 -1.030177 6.370247
iFrag= 153 jFrag= 43 EFMOc= -4566.691414912
iFrag= 153 jFrag= 43 EFMOu= -4559.021470572 Tr= 0.000639125
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0001204031
--------------------------------------
FINAL EFP ENERGY = -0.0001204031
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
3.358304 0.758024 5.456604 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.713481 -6.578365 -3.581586 9.420537
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.977238 -3.622978 5.729009 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-4.208628 8.168643 -14.974241 17.568927
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.667771 -1.432477 5.592807 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.504853 1.590278 -18.555827 18.684547
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 92 6 corr= MP2 , LL1= 780 ID= 11647
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 92 6 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0510281320 -4559.0510281320 0.015385808 0.000000000 0.000000000 1.000000000 24311346 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0512888534 -0.0002607215 0.002827372 0.000549033 0.000000000 0.000000000 24307225 0
3 2 0 -4559.0513038501 -0.0000149966 0.001035799 0.000218420 0.000000000 0.000000000 24270024 0
4 3 0 -4559.0513057027 -0.0000018526 0.000245903 0.000140987 0.000000000 0.000000000 24195234 0
5 4 0 -4559.0513058977 -0.0000001951 0.000085968 0.000017908 0.000000000 0.000000000 24002721 0
6 5 0 -4559.0513059084 -0.0000000107 0.000013488 0.000004998 0.000000000 0.000000000 23824255 0
7 6 0 -4559.0513059094 -0.0000000010 0.000002167 0.000001006 0.000000000 0.000000000 23482319 0
8 7 0 -4559.0513059095 -0.0000000000 0.000001569 0.000000348 0.000000000 0.000000000 23116262 0
9 8 0 -4559.0513059095 0.0000000000 0.000000228 0.000000104 0.000000000 0.000000000 23070840 0
10 9 0 -4559.0513059095 -0.0000000000 0.000000068 0.000000055 0.000000000 0.000000000 22599504 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 1.8 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.5 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0513059095 AFTER 10 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.45 TOTAL CPU TIME= 2592.6 ( 43.2 MIN)
TOTAL WALL CLOCK TIME= 2085.8 SECONDS, CPU UTILIZATION IS 124.30%
RHF RI MP2 ENERGY
ESCF= -4559.0513059095
E(2)= -7.6644701667
E(MP2)= -4566.7157760762
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.506972 1.590056 -18.549888 18.678801
iFrag= 92 jFrag= 6 EFMOc= -4566.715776076
iFrag= 92 jFrag= 6 EFMOu= -4559.051305909 Tr= 0.000120403
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0005446351
--------------------------------------
FINAL EFP ENERGY = -0.0005446351
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
0.550801 9.022940 -7.118313 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.253193 5.780821 -15.840156 17.172993
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.621198 0.989815 0.169777 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-5.680542 1.698071 3.444732 6.856980
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-0.035198 5.006378 -3.474268 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-8.933735 7.478892 -12.395424 17.011525
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 129 69 corr= MP2 , LL1= 780 ID= 11776
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 129 69 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.1360367871 -4559.1360367871 0.093169607 0.000000000 0.000000000 1.000000000 26948405 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0323345293 0.1037022578 0.014817472 0.005474512 0.000000000 0.000000000 26948181 0
3 2 0 -4559.0332228375 -0.0008883082 0.007588255 0.002273450 0.000000000 0.000000000 26942523 0
4 3 0 -4559.0333403801 -0.0001175425 0.001037926 0.000970823 0.000000000 0.000000000 26932768 0
5 4 0 -4559.0333535243 -0.0000131442 0.000442559 0.000187669 0.000000000 0.000000000 26780278 0
6 5 0 -4559.0333546590 -0.0000011348 0.000270689 0.000064653 0.000000000 0.000000000 26643630 0
7 6 0 -4559.0333547927 -0.0000001336 0.000033156 0.000016700 0.000000000 0.000000000 26540421 0
8 7 0 -4559.0333547976 -0.0000000049 0.000018766 0.000008762 0.000000000 0.000000000 26172390 0
9 8 0 -4559.0333547984 -0.0000000008 0.000002150 0.000001536 0.000000000 0.000000000 26037991 0
10 9 0 -4559.0333547984 -0.0000000001 0.000000516 0.000000224 0.000000000 0.000000000 25654192 0
11 10 0 -4559.0333547984 0.0000000000 0.000000175 0.000000077 0.000000000 0.000000000 25278120 0
12 11 0 -4559.0333547984 0.0000000000 0.000000047 0.000000037 0.000000000 0.000000000 25087331 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.2 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0333547984 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.86 TOTAL CPU TIME= 2610.5 ( 43.5 MIN)
TOTAL WALL CLOCK TIME= 2097.9 SECONDS, CPU UTILIZATION IS 124.43%
RHF RI MP2 ENERGY
ESCF= -4559.0333547984
E(2)= -7.6671667839
E(MP2)= -4566.7005215823
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-9.072957 7.407449 -12.465245 17.104713
iFrag= 129 jFrag= 69 EFMOc= -4566.700521582
iFrag= 129 jFrag= 69 EFMOu= -4559.033354798 Tr= 0.000544635
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0003265168
--------------------------------------
FINAL EFP ENERGY = -0.0003265168
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
0.718908 8.826581 -5.255938 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.777801 -3.376007 -6.051873 6.973347
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
1.779067 2.914368 -4.471235 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.661512 -5.753313 4.630885 9.945926
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
1.248987 5.870474 -4.863587 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.439313 -9.129320 -1.420988 11.862001
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 155 124 corr= MP2 , LL1= 780 ID= 11904
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = GPURIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 155 124 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0364103782 -4559.0364103782 0.040312099 0.000000000 0.000000000 1.000000000 27274810 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0317897156 0.0046206626 0.009726248 0.002944152 0.000000000 0.000000000 27273578 0
3 2 0 -4559.0320507699 -0.0002610543 0.004890467 0.000947858 0.000000000 0.000000000 27265441 0
4 3 0 -4559.0320828465 -0.0000320766 0.000885617 0.000444875 0.000000000 0.000000000 27252658 0
5 4 0 -4559.0320858392 -0.0000029926 0.000190220 0.000084551 0.000000000 0.000000000 27156941 0
6 5 0 -4559.0320860187 -0.0000001796 0.000079993 0.000014775 0.000000000 0.000000000 26963171 0
7 6 0 -4559.0320860352 -0.0000000164 0.000014990 0.000005975 0.000000000 0.000000000 26844309 0
8 7 0 -4559.0320860359 -0.0000000008 0.000007090 0.000002220 0.000000000 0.000000000 26577941 0
9 8 0 -4559.0320860360 -0.0000000001 0.000001590 0.000000709 0.000000000 0.000000000 26429691 0
10 9 0 -4559.0320860360 -0.0000000000 0.000000302 0.000000124 0.000000000 0.000000000 26157895 0
11 10 0 -4559.0320860360 -0.0000000000 0.000000173 0.000000034 0.000000000 0.000000000 25669719 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.0 SECONDS ( 0.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.2, LAST ITERATION= 0.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0320860360 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.66 TOTAL CPU TIME= 2628.1 ( 43.8 MIN)
TOTAL WALL CLOCK TIME= 2109.6 SECONDS, CPU UTILIZATION IS 124.58%
RHF RI MP2 ENERGY
ESCF= -4559.0320860360
E(2)= -7.6712911558
E(MP2)= -4566.7033771919
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.469350 -9.339275 -1.312971 12.030675
iFrag= 155 jFrag= 124 EFMOc= -4566.703377192
iFrag= 155 jFrag= 124 EFMOu= -4559.032086036 Tr= 0.000326517
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = -0.0002043838
CHARGE-DIPOLE = 0.0000672012
CHARGE-QUADRUPOLE = -0.0000747347
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000304402
DIPOLE-QUADRUPOLE = 0.0000028027
QUADRUPOLE-QUADRUPOLE = -0.0000016531
OVERLAP PEN. ENERGY = -0.0000000000
--------------
ELECTROSTATIC ENERGY = -0.0001803274
REPULSION ENERGY = -0.0000000004
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0000191274
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000143455
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = -0.0001994552
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
0.694661 -6.702311 1.413656 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.361032 -6.698953 -5.231066 8.607696
FRAGMENT 2 MSN4
X Y Z (BOHR) CHARGE
-33.554609 -10.747451 7.226878 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
13.095740 -18.380988 16.210030 27.787123
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-21.987824 -9.381312 5.263616 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
11.734709 -25.079941 10.978964 29.786649
cpu time efp_dimer (s)= 0.14 nproc= 8
energy of the separated dimer 118 4, L1= 993 is -8527.214891477
CPU 0: STEP CPU TIME= 14.87 TOTAL CPU TIME= 2643.0 ( 44.0 MIN)
TOTAL WALL CLOCK TIME= 2118.6 SECONDS, CPU UTILIZATION IS 124.75%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0009681192
CHARGE-DIPOLE = 0.0008491072
CHARGE-QUADRUPOLE = -0.0000052416
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0001757449
DIPOLE-QUADRUPOLE = -0.0000071667
QUADRUPOLE-QUADRUPOLE = -0.0000002471
OVERLAP PEN. ENERGY = -0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0019803159
REPULSION ENERGY = -0.0000000008
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0000093775
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000070331
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = 0.0019709376
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
1.693019 12.693012 -0.101654 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.987718 4.972381 -3.923286 10.194135
FRAGMENT 2 MSN4
X Y Z (BOHR) CHARGE
-33.554609 -10.747451 7.226878 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
13.095740 -18.380988 16.210030 27.787123
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-21.650655 -2.831055 4.751860 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
21.083459 -13.408607 12.286744 27.843617
cpu time efp_dimer (s)= 0.14 nproc= 8
energy of the separated dimer 20 4, L1= 993 is -8527.191739757
CPU 0: STEP CPU TIME= 0.16 TOTAL CPU TIME= 2643.1 ( 44.1 MIN)
TOTAL WALL CLOCK TIME= 2118.8 SECONDS, CPU UTILIZATION IS 124.75%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = -0.0006898130
CHARGE-DIPOLE = -0.0003463363
CHARGE-QUADRUPOLE = -0.0000078977
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = -0.0000430129
DIPOLE-QUADRUPOLE = 0.0000045741
QUADRUPOLE-QUADRUPOLE = -0.0000000532
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = -0.0010825390
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0000031349
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000023512
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = -0.0010856739
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
5.879857 -4.388378 -3.818193 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.585380 -1.797591 -5.832796 7.078686
FRAGMENT 2 MSN4
X Y Z (BOHR) CHARGE
-33.554609 -10.747451 7.226878 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
13.095740 -18.380988 16.210030 27.787123
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-20.236662 -8.599842 3.496697 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.510361 -20.178579 10.377233 24.603028
cpu time efp_dimer (s)= 0.13 nproc= 8
energy of the separated dimer 26 4, L1= 993 is -8527.217924091
CPU 0: STEP CPU TIME= 0.14 TOTAL CPU TIME= 2643.3 ( 44.1 MIN)
TOTAL WALL CLOCK TIME= 2119.0 SECONDS, CPU UTILIZATION IS 124.74%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0010790134
CHARGE-DIPOLE = 0.0006209827
CHARGE-QUADRUPOLE = 0.0000477964
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000905304
DIPOLE-QUADRUPOLE = 0.0000046803
QUADRUPOLE-QUADRUPOLE = 0.0000024917
OVERLAP PEN. ENERGY = -0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0018454949
REPULSION ENERGY = -0.0000000023
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0000163619
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000122715
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = 0.0018291307
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-1.176089 -0.369697 8.173426 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.699735 -8.402332 -18.931690 21.040344
FRAGMENT 2 MSN4
X Y Z (BOHR) CHARGE
-33.554609 -10.747451 7.226878 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
13.095740 -18.380988 16.210030 27.787123
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-22.619621 -7.242639 7.546549 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.396006 -26.783320 -2.721660 28.513832
cpu time efp_dimer (s)= 0.14 nproc= 8
energy of the separated dimer 66 4, L1= 993 is -8527.209081178
CPU 0: STEP CPU TIME= 0.16 TOTAL CPU TIME= 2643.5 ( 44.1 MIN)
TOTAL WALL CLOCK TIME= 2119.2 SECONDS, CPU UTILIZATION IS 124.74%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0022821223
CHARGE-DIPOLE = 0.0003060062
CHARGE-QUADRUPOLE = 0.0000685515
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = -0.0001306132
DIPOLE-QUADRUPOLE = -0.0000248565
QUADRUPOLE-QUADRUPOLE = -0.0000011731
OVERLAP PEN. ENERGY = -0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0025000371
REPULSION ENERGY = -0.0000000005
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0000270567
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000202925
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = 0.0024729800
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
1.779067 2.914368 -4.471235 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.740922 -5.668931 4.593007 9.933405
FRAGMENT 2 MSN3
X Y Z (BOHR) CHARGE
-30.088233 -11.455627 13.132519 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-24.397558 21.389025 19.615464 37.914346
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-18.906926 -6.413615 6.955875 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-17.656637 15.720093 24.208471 33.836788
cpu time efp_dimer (s)= 0.12 nproc= 8
energy of the separated dimer 124 3, L1= 953 is -8306.014457159
CPU 0: STEP CPU TIME= 0.15 TOTAL CPU TIME= 2643.6 ( 44.1 MIN)
TOTAL WALL CLOCK TIME= 2119.4 SECONDS, CPU UTILIZATION IS 124.74%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = -0.0009354197
CHARGE-DIPOLE = -0.0002087217
CHARGE-QUADRUPOLE = -0.0000315173
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000262760
DIPOLE-QUADRUPOLE = -0.0000124022
QUADRUPOLE-QUADRUPOLE = -0.0000012016
OVERLAP PEN. ENERGY = -0.0000000000
--------------
ELECTROSTATIC ENERGY = -0.0011629866
REPULSION ENERGY = -0.0000000001
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0000124904
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000093678
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = -0.0011754770
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-3.839858 6.778210 6.140293 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.143802 5.539506 -5.656170 8.202089
FRAGMENT 2 MSN2
X Y Z (BOHR) CHARGE
-26.488523 -9.256700 18.965337 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
40.723903 -29.628381 -20.359023 54.320964
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-18.318988 -3.472793 14.339252 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
38.580101 -24.088876 -26.015193 52.397408
cpu time efp_dimer (s)= 0.12 nproc= 8
energy of the separated dimer 59 2, L1= 953 is -7507.841721827
CPU 0: STEP CPU TIME= 0.14 TOTAL CPU TIME= 2643.7 ( 44.1 MIN)
TOTAL WALL CLOCK TIME= 2119.5 SECONDS, CPU UTILIZATION IS 124.73%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0032208840
CHARGE-DIPOLE = 0.0010050689
CHARGE-QUADRUPOLE = 0.0000042320
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = -0.0000433226
DIPOLE-QUADRUPOLE = 0.0000369417
QUADRUPOLE-QUADRUPOLE = -0.0000118952
OVERLAP PEN. ENERGY = -0.0000000001
--------------
ELECTROSTATIC ENERGY = 0.0042119087
REPULSION ENERGY = -0.0000000123
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0000778787
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000584090
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = 0.0041340177
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-8.189786 -5.197288 4.228492 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-5.516191 -15.681415 20.735284 26.576064
FRAGMENT 2 MSN3
X Y Z (BOHR) CHARGE
-30.088233 -11.455627 13.132519 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-24.397558 21.389025 19.615464 37.914346
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-22.404706 -9.259758 10.008355 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-29.913749 5.707610 40.350748 50.552864
cpu time efp_dimer (s)= 0.12 nproc= 8
energy of the separated dimer 110 3, L1= 953 is -8306.003043870
CPU 0: STEP CPU TIME= 0.15 TOTAL CPU TIME= 2643.9 ( 44.1 MIN)
TOTAL WALL CLOCK TIME= 2119.7 SECONDS, CPU UTILIZATION IS 124.73%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0001199780
CHARGE-DIPOLE = 0.0003412118
CHARGE-QUADRUPOLE = -0.0001022500
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000843258
DIPOLE-QUADRUPOLE = -0.0000049685
QUADRUPOLE-QUADRUPOLE = -0.0000015766
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0004367205
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0000085770
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000064328
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = 0.0004281435
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
0.584579 6.823508 -4.490443 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-7.368270 7.103608 12.545477 16.190789
FRAGMENT 2 MSN3
X Y Z (BOHR) CHARGE
-30.088233 -11.455627 13.132519 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-24.397558 21.389025 19.615464 37.914346
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-19.326037 -5.042011 6.949135 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-31.765828 28.492632 32.160941 53.434297
cpu time efp_dimer (s)= 0.12 nproc= 8
energy of the separated dimer 73 3, L1= 953 is -8306.015186964
CPU 0: STEP CPU TIME= 0.13 TOTAL CPU TIME= 2644.0 ( 44.1 MIN)
TOTAL WALL CLOCK TIME= 2119.9 SECONDS, CPU UTILIZATION IS 124.73%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = -0.0002785895
CHARGE-DIPOLE = -0.0001654569
CHARGE-QUADRUPOLE = 0.0000708086
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = -0.0000264982
DIPOLE-QUADRUPOLE = 0.0000054137
QUADRUPOLE-QUADRUPOLE = -0.0000004215
OVERLAP PEN. ENERGY = -0.0000000000
--------------
ELECTROSTATIC ENERGY = -0.0003947438
REPULSION ENERGY = -0.0000000025
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0000152092
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000114069
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = -0.0004099555
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-8.724544 0.652670 5.449038 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.541459 0.371133 -0.358293 0.747857
FRAGMENT 2 MSN3
X Y Z (BOHR) CHARGE
-30.088233 -11.455627 13.132519 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-24.397558 21.389025 19.615464 37.914346
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-22.592337 -7.207178 10.436610 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-23.856100 21.760157 19.257171 37.595965
cpu time efp_dimer (s)= 0.12 nproc= 8
energy of the separated dimer 98 3, L1= 953 is -8305.993470886
CPU 0: STEP CPU TIME= 0.15 TOTAL CPU TIME= 2644.2 ( 44.1 MIN)
TOTAL WALL CLOCK TIME= 2120.0 SECONDS, CPU UTILIZATION IS 124.72%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0014002679
CHARGE-DIPOLE = 0.0002893959
CHARGE-QUADRUPOLE = 0.0000285448
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = -0.0000464448
DIPOLE-QUADRUPOLE = 0.0000043523
QUADRUPOLE-QUADRUPOLE = -0.0000002274
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0016758887
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0000088890
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000066668
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = 0.0016669996
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-1.445846 2.095017 -1.260064 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-10.845443 -1.957240 15.447653 18.975890
FRAGMENT 2 MSN1FN
X Y Z (BOHR) CHARGE
-17.313963 -10.417539 21.925276 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-15.782770 23.413657 -1.472838 28.274801
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-12.072928 -6.284802 14.267456 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-26.628213 21.456417 13.974814 36.942320
cpu time efp_dimer (s)= 0.11 nproc= 8
energy of the separated dimer 90 1, L1= 942 is -8684.780593517
CPU 0: STEP CPU TIME= 0.13 TOTAL CPU TIME= 2644.3 ( 44.1 MIN)
TOTAL WALL CLOCK TIME= 2120.3 SECONDS, CPU UTILIZATION IS 124.71%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = -0.0004395204
CHARGE-DIPOLE = -0.0002292915
CHARGE-QUADRUPOLE = -0.0000025708
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = -0.0000281591
DIPOLE-QUADRUPOLE = -0.0000006676
QUADRUPOLE-QUADRUPOLE = -0.0000002106
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = -0.0007004199
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0000051531
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000038649
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = -0.0007055730
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
3.520096 -0.307993 4.028574 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.900387 9.945675 0.140323 9.987334
FRAGMENT 2 MSN1FN
X Y Z (BOHR) CHARGE
-17.313963 -10.417539 21.925276 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-15.782770 23.413657 -1.472838 28.274801
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-10.432741 -7.078486 16.014225 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-14.882383 33.359332 -1.332516 36.552783
cpu time efp_dimer (s)= 0.11 nproc= 8
energy of the separated dimer 105 1, L1= 942 is -8684.767132750
CPU 0: STEP CPU TIME= 0.13 TOTAL CPU TIME= 2644.4 ( 44.1 MIN)
TOTAL WALL CLOCK TIME= 2120.5 SECONDS, CPU UTILIZATION IS 124.71%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = -0.0000004730
CHARGE-DIPOLE = 0.0000047550
CHARGE-QUADRUPOLE = -0.0000174509
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000038426
DIPOLE-QUADRUPOLE = -0.0000138484
QUADRUPOLE-QUADRUPOLE = 0.0000075827
OVERLAP PEN. ENERGY = -0.0000000000
--------------
ELECTROSTATIC ENERGY = -0.0000155921
REPULSION ENERGY = -0.0000000038
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0000400483
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000300362
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = -0.0000556442
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-3.839858 6.778210 6.140293 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.143802 5.539506 -5.656170 8.202089
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
6.131578 -5.314389 1.888818 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-7.234688 6.743147 -17.158282 19.804479
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
1.145860 0.731911 4.014556 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-9.378491 12.282653 -22.814452 27.555742
cpu time efp_dimer (s)= 0.07 nproc= 8
energy of the separated dimer 59 17, L1= 780 is -4559.048594086
CPU 0: STEP CPU TIME= 0.10 TOTAL CPU TIME= 2644.5 ( 44.1 MIN)
TOTAL WALL CLOCK TIME= 2120.6 SECONDS, CPU UTILIZATION IS 124.71%
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 2644.5 ( 44.1 MIN)
TOTAL WALL CLOCK TIME= 2120.6 SECONDS, CPU UTILIZATION IS 124.71%
Dimer synchronisation for layer 1 took 11.7 s.
CPU 0: STEP CPU TIME= 4.93 TOTAL CPU TIME= 2649.5 ( 44.2 MIN)
TOTAL WALL CLOCK TIME= 2132.3 SECONDS, CPU UTILIZATION IS 124.26%
Tim2: IJ 1293.83 lump 11.66 DFTBg 0.00 PCM 0.00 SCZV 0.00 total 1305.48
Data exchange of 100054 words took 0.0 s.
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 2649.5 ( 44.2 MIN)
TOTAL WALL CLOCK TIME= 2132.3 SECONDS, CPU UTILIZATION IS 124.26%
FMO properties
###############
Layer 1 converged in 1 iterations (max 30, conv .10E-06).
Nuclear repulsion energy: 19945312.065512046
Total number of atoms: 14109
Total number of electrons: 48370
Total charge: 0
Total spin multiplicity: 1
Total number of basis functions: 62345
Total number of molecular orbitals: 62345
Energy values (E) are given with external ESP subtracted.
D(dipole), Q(quadrupole) and O(octopole) moments are printed in the order:
X,Y,Z; XX,YY,ZZ,XY,XZ,YZ; XXX,XXY,XXZ,XYY,YYY,YYZ,XZZ,YZZ,ZZZ,XYZ,
computed at the point (A): -0.59283595 -0.13695585 0.50618201
Both uncorrelated and correlated energies are printed.
Gradient is printed only as correlated values.
Other properties correspond to uncorrelated wavefunction.
One-body FMO properties.
=======================
E"corr E"uncorr DX DY DZ
1(MSN1FN1 ,L1) -6410.111218782 -6405.259372883 -15.78277 23.41366 -1.47284
2(MSN2 ,L1) -5232.259584560 -5228.316004285 40.72390 -29.62838 -20.35902
3(MSN3 ,L1) -6030.811951846 -6026.485936105 -24.39756 21.38902 19.61546
4(MSN4 ,L1) -6252.179119296 -6247.690443354 13.09574 -18.38099 16.21003
5(MSN5 ,L1) -7053.541390385 -7048.107737909 7.78690 -24.80194 41.55701
6(frg00006,L1) -2283.355412059 -2279.522488818 -4.24700 8.11044 -14.99218
7(frg00007,L1) -2283.374155803 -2279.540630767 -8.05110 -5.86926 5.09618
8(frg00008,L1) -2283.350245686 -2279.516313114 0.71021 10.09824 -1.41060
9(frg00009,L1) -2283.361358850 -2279.526112765 -3.52210 -5.73717 2.75992
10(frg00010,L1) -2283.370002792 -2279.535197432 -3.38821 1.42447 -4.19940
11(frg00011,L1) -2283.363165774 -2279.530767103 -0.07163 16.17178 0.42762
12(frg00012,L1) -2283.357660506 -2279.526329473 19.00079 -1.29640 0.40729
13(frg00013,L1) -2283.361880229 -2279.529557639 -0.99132 -4.30539 -5.57806
14(frg00014,L1) -2283.357410279 -2279.526070804 -15.75628 3.63434 -15.44061
15(frg00015,L1) -2283.361033803 -2279.527374269 -0.44473 15.98038 -13.23187
16(frg00016,L1) -2283.361664944 -2279.528347363 17.63495 0.94021 18.48952
17(frg00017,L1) -2283.355503196 -2279.523996376 -7.23469 6.74315 -17.15828
18(frg00018,L1) -2283.360694807 -2279.529225986 4.09546 7.11390 5.28873
19(frg00019,L1) -2283.356769572 -2279.525379191 6.19104 8.34794 3.98217
20(frg00020,L1) -2283.337343435 -2279.503267341 7.98772 4.97238 -3.92329
21(frg00021,L1) -2283.355667323 -2279.524168466 3.90942 -6.49208 -3.76236
22(frg00022,L1) -2283.355039672 -2279.523286563 -10.98769 7.86132 8.12576
23(frg00023,L1) -2283.354650525 -2279.523007946 -14.68374 4.19061 4.43745
24(frg00024,L1) -2283.357725469 -2279.526249347 5.56036 -9.69803 -0.02967
25(frg00025,L1) -2283.354868375 -2279.522312129 -3.01514 -5.70753 -3.24402
26(frg00026,L1) -2283.357779033 -2279.526395063 -3.58538 -1.79759 -5.83280
27(frg00027,L1) -2283.372617587 -2279.539414018 -2.23060 -0.47651 -6.89736
28(frg00028,L1) -2283.358500532 -2279.526759088 2.06096 9.89862 -3.66998
29(frg00029,L1) -2283.363765202 -2279.528935275 13.34432 -3.56585 2.67181
30(frg00030,L1) -2283.356187723 -2279.524748944 -9.05022 -12.14562 4.52430
31(frg00031,L1) -2283.359941854 -2279.526817204 1.97253 -0.98911 6.76225
32(frg00032,L1) -2283.360329515 -2279.527841328 14.84547 -5.78076 5.06911
33(frg00033,L1) -2283.357439986 -2279.526078862 16.66902 -4.87661 4.87009
34(frg00034,L1) -2283.357881122 -2279.523006922 16.15078 -9.04439 6.82889
35(frg00035,L1) -2283.367253525 -2279.534074854 -3.57650 -8.50032 5.82201
36(frg00036,L1) -2283.322332875 -2279.489033500 -6.70847 8.91722 -3.76870
37(frg00037,L1) -2283.368390998 -2279.535178238 -9.13731 -0.55730 18.12332
38(frg00038,L1) -2283.323887355 -2279.490452982 -2.72575 -1.39206 7.22098
39(frg00039,L1) -2283.357355635 -2279.525989571 17.82358 -2.86958 18.09096
40(frg00040,L1) -2283.323327625 -2279.489707475 6.63710 -12.54959 -5.06351
41(frg00041,L1) -2283.357107885 -2279.525741154 19.48263 -0.57042 -6.75045
42(frg00042,L1) -2283.355559370 -2279.522996546 -4.30013 -0.41034 0.43339
43(frg00043,L1) -2283.364942795 -2279.531356412 8.01514 1.41459 -1.07968
44(frg00044,L1) -2283.364657772 -2279.531579389 7.39745 -10.74534 6.35043
45(frg00045,L1) -2283.358111884 -2279.526750128 7.01399 -1.81785 16.27142
46(frg00046,L1) -2283.354677571 -2279.523144974 0.24511 0.35654 6.07123
47(frg00047,L1) -2283.358494567 -2279.527204277 8.65931 13.52715 -1.45516
48(frg00048,L1) -2283.358840769 -2279.525293864 7.37598 9.74285 8.02187
49(frg00049,L1) -2283.350017649 -2279.514322464 9.62937 -14.41120 -12.47896
50(frg00050,L1) -2283.359560470 -2279.527379488 -2.77807 3.05995 11.60960
51(frg00051,L1) -2283.356331529 -2279.524132535 4.07804 3.43003 10.83807
52(frg00052,L1) -2283.358571345 -2279.525010781 8.97459 -1.65309 9.62799
53(frg00053,L1) -2283.334417372 -2279.501211164 10.50327 -2.06135 -2.78814
54(frg00054,L1) -2283.320514729 -2279.488343564 -2.76741 7.73218 2.29650
55(frg00055,L1) -2283.357448276 -2279.525240031 1.51683 2.82259 4.91323
56(frg00056,L1) -2283.357385628 -2279.525954535 2.46634 1.41596 7.66172
57(frg00057,L1) -2283.357563099 -2279.525329673 -6.06431 4.77739 3.75543
58(frg00058,L1) -2283.359084897 -2279.527670341 2.74484 -2.04519 -20.39187
59(frg00059,L1) -2283.356001901 -2279.524542066 -2.14380 5.53951 -5.65617
60(frg00060,L1) -2283.360924407 -2279.527104668 -8.70501 -6.38416 14.26937
61(frg00061,L1) -2283.355257169 -2279.523703987 7.83873 -2.37015 -15.12743
62(frg00062,L1) -2283.323220444 -2279.489158485 9.67263 -2.96123 8.07653
63(frg00063,L1) -2283.325116877 -2279.490364245 5.16604 3.29040 -20.66506
64(frg00064,L1) -2283.359763185 -2279.528325182 -3.58591 -10.37026 5.23987
65(frg00065,L1) -2283.357153617 -2279.525797049 10.22476 -5.72923 -5.38970
66(frg00066,L1) -2283.353729449 -2279.520466955 -3.69973 -8.40233 -18.93169
67(frg00067,L1) -2283.356955295 -2279.525446224 -13.21611 8.45503 -6.62677
68(frg00068,L1) -2283.352934856 -2279.521066268 -1.81716 7.06857 15.91187
69(frg00069,L1) -2283.357635106 -2279.526307049 -5.69195 1.61286 3.45424
70(frg00070,L1) -2283.363247548 -2279.528966833 -6.97879 -6.83914 -9.02857
71(frg00071,L1) -2283.353259322 -2279.521628409 -0.16666 3.22786 -4.74824
72(frg00072,L1) -2283.355100813 -2279.523565450 5.11876 -7.25347 4.78558
73(frg00073,L1) -2283.360963490 -2279.529679003 -7.36827 7.10361 12.54548
74(frg00074,L1) -2283.338217904 -2279.502607278 3.91226 -1.67537 1.01455
75(frg00075,L1) -2283.355661836 -2279.524130673 -5.94455 -15.29233 -1.01801
76(frg00076,L1) -2283.362691803 -2279.528749883 13.89559 14.14243 -2.23736
77(frg00077,L1) -2283.357262252 -2279.525889094 -9.88648 -0.68031 3.66067
78(frg00078,L1) -2283.351351726 -2279.517179921 -9.21289 -13.23174 -10.98541
79(frg00079,L1) -2283.359984109 -2279.527148940 1.76787 -10.13158 0.01735
80(frg00080,L1) -2283.358029697 -2279.525116248 3.65563 2.95777 2.85683
81(frg00081,L1) -2283.357890685 -2279.526472458 2.00600 3.66858 -0.61296
82(frg00082,L1) -2283.354630030 -2279.523023043 7.73703 12.70427 7.81654
83(frg00083,L1) -2283.356967668 -2279.525547969 3.44119 2.07098 -3.94788
84(frg00084,L1) -2283.355680714 -2279.524209657 5.63280 9.95945 -0.43560
85(frg00085,L1) -2283.329126331 -2279.494577164 -7.62775 8.21375 2.65828
86(frg00086,L1) -2283.344919640 -2279.512223327 -2.12127 -3.76053 -6.13285
87(frg00087,L1) -2283.361825572 -2279.527388638 7.13127 7.57698 3.23826
88(frg00088,L1) -2283.357140599 -2279.525772413 14.69902 10.09042 12.01031
89(frg00089,L1) -2283.355054820 -2279.523424373 -9.11042 2.21052 7.00008
90(frg00090,L1) -2283.355074303 -2279.522887634 -10.84544 -1.95724 15.44765
91(frg00091,L1) -2283.355717041 -2279.522893472 3.56544 -7.72066 -1.18922
92(frg00092,L1) -2283.356835263 -2279.525300703 5.79088 -6.51375 -3.59768
93(frg00093,L1) -2283.351564915 -2279.519592650 11.35137 3.19560 -5.15399
94(frg00094,L1) -2283.346699579 -2279.513679928 3.32862 -2.49007 -17.84168
95(frg00095,L1) -2283.359528966 -2279.526677831 -0.96688 -3.14917 -3.90842
96(frg00096,L1) -2283.311422840 -2279.477278387 4.47938 14.39123 -11.56452
97(frg00097,L1) -2283.358137794 -2279.526835535 -18.45181 -0.10292 -7.08185
98(frg00098,L1) -2283.338947168 -2279.507124825 0.54146 0.37113 -0.35829
99(frg00099,L1) -2283.363233168 -2279.529561170 7.65518 -1.71851 17.31846
100(frg00100,L1) -2283.355429437 -2279.523736376 -6.21905 -4.67549 -12.21529
101(frg00101,L1) -2283.358092862 -2279.526768133 -2.80871 -3.48836 -11.97224
102(frg00102,L1) -2283.357492887 -2279.524700187 -9.21639 -4.12164 2.37281
103(frg00103,L1) -2283.358662054 -2279.526815139 -14.86146 3.81799 4.30379
104(frg00104,L1) -2283.369759498 -2279.535205072 5.41027 -1.44765 -9.54247
105(frg00105,L1) -2283.339405273 -2279.507054294 0.90039 9.94568 0.14032
106(frg00106,L1) -2283.357331164 -2279.525904332 -2.47660 7.22386 -6.23607
107(frg00107,L1) -2283.367809196 -2279.536049613 1.86897 3.55226 2.20666
108(frg00108,L1) -2283.339014897 -2279.503112000 0.03086 7.37798 0.93632
109(frg00109,L1) -2283.363330188 -2279.531101830 -11.57346 5.24302 10.98015
110(frg00110,L1) -2283.354454785 -2279.521241782 -5.51619 -15.68142 20.73528
111(frg00111,L1) -2283.356740594 -2279.524243604 13.46303 -14.73043 7.98058
112(frg00112,L1) -2283.344511074 -2279.510953058 0.30912 1.82074 -8.65448
113(frg00113,L1) -2283.351328797 -2279.517745464 8.43153 -16.27607 26.79738
114(frg00114,L1) -2283.355574487 -2279.523677959 8.47727 2.70702 2.16728
115(frg00115,L1) -2283.355831938 -2279.523613989 -2.63758 -0.06640 5.84890
116(frg00116,L1) -2283.361516867 -2279.529457432 20.54035 9.74175 -8.63196
117(frg00117,L1) -2283.362802702 -2279.529695347 1.78662 1.46604 11.46076
118(frg00118,L1) -2283.355748933 -2279.524248669 -1.36103 -6.69895 -5.23107
119(frg00119,L1) -2283.364814394 -2279.531525799 2.68749 -9.58134 8.11753
120(frg00120,L1) -2283.298474342 -2279.464999864 0.81181 9.04529 18.85179
121(frg00121,L1) -2283.372009414 -2279.537349484 -3.74992 2.61229 -21.06315
122(frg00122,L1) -2283.354991018 -2279.523352533 17.25320 -5.14723 14.76896
123(frg00123,L1) -2283.355264370 -2279.523082942 1.32829 1.92965 10.23719
124(frg00124,L1) -2283.365934630 -2279.530994034 6.74092 -5.66893 4.59301
125(frg00125,L1) -2283.336519712 -2279.503260928 -2.32789 -7.52123 -4.82213
126(frg00126,L1) -2283.343968514 -2279.511864769 -5.65497 -3.66442 4.42720
127(frg00127,L1) -2283.350774037 -2279.517924334 6.56457 -19.03226 19.72329
128(frg00128,L1) -2283.354318926 -2279.522731306 -2.13130 -1.26296 14.73356
129(frg00129,L1) -2283.359244530 -2279.527983615 -3.39442 5.88660 -15.77075
130(frg00130,L1) -2283.357256208 -2279.525795315 0.65873 0.55040 1.63105
131(frg00131,L1) -2283.354302095 -2279.522675343 1.03600 -10.92960 -6.01319
132(frg00132,L1) -2283.368318846 -2279.536486193 2.95069 0.96634 -10.05909
133(frg00133,L1) -2283.363564373 -2279.530936182 -7.98170 0.47733 8.14219
134(frg00134,L1) -2283.357818269 -2279.525867847 3.94495 11.10473 -4.90683
135(frg00135,L1) -2283.355375934 -2279.523095578 -0.39512 -4.93463 1.87825
136(frg00136,L1) -2283.364491663 -2279.531155186 2.32370 -3.36710 12.34636
137(frg00137,L1) -2283.352142984 -2279.517561020 0.49990 11.68588 -17.94377
138(frg00138,L1) -2283.344685608 -2279.510573047 0.43249 -17.92395 3.87139
139(frg00139,L1) -2283.360596831 -2279.529198867 18.93722 -5.73232 4.15384
140(frg00140,L1) -2283.360711027 -2279.528584983 1.85282 0.83306 7.06889
141(frg00141,L1) -2283.355358712 -2279.521747719 7.64441 3.44937 10.45802
142(frg00142,L1) -2283.356729714 -2279.524527641 -1.12613 -1.10651 -5.94851
143(frg00143,L1) -2283.346698383 -2279.513500258 0.56761 -3.19124 5.57950
144(frg00144,L1) -2283.358032283 -2279.526722754 10.43630 7.28995 -3.65680
145(frg00145,L1) -2283.364720889 -2279.532656797 2.36532 -8.61920 -13.79100
146(frg00146,L1) -2283.359670307 -2279.526882749 0.30521 -6.57764 -2.67228
147(frg00147,L1) -2283.355573233 -2279.524057427 -13.90521 2.65215 -0.88776
148(frg00148,L1) -2283.370178697 -2279.537222371 4.61348 -8.45483 -13.25674
149(frg00149,L1) -2283.356212787 -2279.524785075 2.95657 -7.57018 13.51401
150(frg00150,L1) -2283.357461419 -2279.525961045 -2.51074 17.90300 4.11989
151(frg00151,L1) -2283.360353845 -2279.528912679 10.09444 5.62460 15.49365
152(frg00152,L1) -2283.359721774 -2279.527962683 1.17720 -1.04983 12.43995
153(frg00153,L1) -2283.356472545 -2279.525051361 -2.25557 -4.21425 0.21343
154(frg00154,L1) -2283.336698381 -2279.504205079 -13.65075 -2.10150 -0.13815
155(frg00155,L1) -2283.332762368 -2279.498843680 0.69519 -3.34279 -6.09082
156(frg00156,L1) -2283.357522369 -2279.525855557 -11.93624 -3.93805 -9.20109
157(frg00157,L1) -2283.355513600 -2279.523992753 0.43917 -7.80496 0.44514
158(frg00158,L1) -2816.156840128 -2811.429108158 5.78901 -2.79172 -8.97759
Frontier molecular orbital (FMO!) properties based on Koopmans' theorem.
Electronegativity = - chemical potential. All values are in eV.
Frag Ionization Electron Chemical Global Global Electrophili-
potential affinity potential hardness softness city index
EA and related properties are often very inaccurate.
-------------------------------------------------------------------------------
1 11.582952 0.305707 -5.944330 11.277245 0.088674 1.566653
2 6.684103 2.193598 -4.438851 4.490505 0.222692 2.193895
3 8.611711 2.177912 -5.394811 6.433799 0.155429 2.261804
4 8.395339 3.146651 -5.770995 5.248688 0.190524 3.172639
5 10.151115 3.335600 -6.743358 6.815515 0.146724 3.335982
6 13.160661 4.831821 -8.996241 8.328840 0.120065 4.858561
7 12.731126 4.538480 -8.634803 8.192646 0.122061 4.550411
8 12.569028 4.814421 -8.691724 7.754607 0.128956 4.871044
9 13.176337 3.792351 -8.484344 9.383986 0.106565 3.835476
10 12.967909 4.269744 -8.618826 8.698166 0.114967 4.270105
11 13.141269 4.322545 -8.731907 8.818724 0.113395 4.322972
12 13.430642 5.388371 -9.409507 8.042271 0.124343 5.504590
13 13.443863 4.545661 -8.994762 8.898201 0.112382 4.546185
14 13.447979 5.337908 -9.392943 8.110071 0.123303 5.439372
15 12.780867 4.106359 -8.443613 8.674508 0.115280 4.109432
16 12.443901 4.889484 -8.666692 7.554417 0.132373 4.971367
17 13.345350 5.112675 -9.229013 8.232675 0.121467 5.172965
18 13.107884 5.074950 -9.091417 8.032934 0.124488 5.144687
19 13.374224 5.461548 -9.417886 7.912676 0.126380 5.604715
20 12.796453 5.247772 -9.022113 7.548681 0.132473 5.391572
21 13.280426 5.280581 -9.280504 7.999845 0.125002 5.383089
22 13.406860 4.893980 -9.150420 8.512881 0.117469 4.917853
23 13.191763 5.393179 -9.292471 7.798584 0.128228 5.536263
24 13.446533 5.139031 -9.292782 8.307501 0.120373 5.197459
25 12.843678 5.063945 -8.953812 7.779733 0.128539 5.152538
26 13.289379 5.326523 -9.307951 7.962856 0.125583 5.440131
27 12.992898 3.819757 -8.406328 9.173141 0.109014 3.851808
28 13.426440 3.666212 -8.546326 9.760228 0.102457 3.741700
29 13.297397 4.245944 -8.771671 9.051453 0.110479 4.250268
30 13.321054 5.464301 -9.392677 7.856753 0.127279 5.614430
31 13.507907 4.437444 -8.972676 9.070463 0.110248 4.437971
32 12.979450 4.736375 -8.857912 8.243075 0.121314 4.759304
33 13.496267 5.145187 -9.320727 8.351080 0.119745 5.201480
34 11.861289 4.159966 -8.010628 7.701323 0.129848 4.166177
35 12.837610 4.238593 -8.538102 8.599016 0.116292 4.238809
36 11.669768 4.354359 -8.012063 7.315409 0.136698 4.387531
37 12.675792 4.061794 -8.368793 8.613998 0.116090 4.065284
38 11.875796 5.150101 -8.512949 6.725695 0.148684 5.387569
39 13.388010 5.260868 -9.324439 8.127142 0.123044 5.349061
40 12.087563 4.815945 -8.451754 7.271618 0.137521 4.911709
41 13.410052 5.343357 -9.376704 8.066695 0.123967 5.449728
42 13.042992 4.934041 -8.988517 8.108951 0.123321 4.981744
43 13.369627 3.630396 -8.500011 9.739231 0.102678 3.709235
44 13.124658 4.446213 -8.785436 8.678446 0.115228 4.446872
45 13.467856 5.191766 -9.329811 8.276090 0.120830 5.258847
46 13.466527 5.364690 -9.415609 8.101837 0.123429 5.471209
47 13.421738 5.292243 -9.356990 8.129495 0.123009 5.384914
48 13.314583 4.474475 -8.894529 8.840107 0.113121 4.474643
49 12.565517 4.257191 -8.411354 8.308326 0.120361 4.257830
50 12.807041 5.417237 -9.112139 7.389804 0.135322 5.617948
51 13.344217 4.123131 -8.733674 9.221086 0.108447 4.136013
52 13.328906 3.703464 -8.516185 9.625442 0.103891 3.767381
53 12.069227 5.277277 -8.673252 6.791950 0.147233 5.537828
54 11.639940 4.683553 -8.161747 6.956387 0.143753 4.787982
55 13.166894 4.718299 -8.942597 8.448595 0.118363 4.732741
56 13.404359 4.793091 -9.098725 8.611268 0.116127 4.806888
57 13.289345 4.349954 -8.819650 8.939392 0.111864 4.350756
58 13.415984 4.399614 -8.907799 9.016370 0.110909 4.400268
59 13.428481 5.229855 -9.329168 8.198626 0.121972 5.307802
60 13.465692 4.378886 -8.922289 9.086806 0.110050 4.380375
61 13.400898 5.180609 -9.290754 8.220289 0.121650 5.250309
62 11.648260 4.877613 -8.262936 6.770647 0.147696 5.042068
63 11.882875 5.026485 -8.454680 6.856389 0.145849 5.212774
64 13.376884 4.929441 -9.153162 8.447442 0.118379 4.958920
65 13.452475 5.429101 -9.440788 8.023374 0.124636 5.554301
66 13.009647 3.600761 -8.305204 9.408886 0.106283 3.665493
67 13.310134 5.354216 -9.332175 7.955919 0.125693 5.473252
68 12.882178 5.418775 -9.150476 7.463404 0.133987 5.609453
69 13.506011 5.388591 -9.447301 8.117420 0.123192 5.497529
70 13.184905 4.243115 -8.714010 8.941789 0.111834 4.246016
71 13.332978 5.464897 -9.398938 7.868081 0.127096 5.613823
72 13.530699 4.759920 -9.145310 8.770780 0.114015 4.767916
73 13.473790 5.330248 -9.402019 8.143542 0.122797 5.427489
74 12.055500 4.442836 -8.249168 7.612664 0.131360 4.469446
75 13.523753 5.123910 -9.323831 8.399844 0.119050 5.174729
76 13.070092 4.714791 -8.892442 8.355301 0.119684 4.732057
77 13.421072 5.071801 -9.246437 8.349272 0.119771 5.120003
78 13.475119 3.580505 -8.527812 9.894614 0.101065 3.674907
79 13.198386 4.658229 -8.928308 8.540157 0.117094 4.667050
80 13.331445 4.666617 -8.999031 8.664829 0.115409 4.673062
81 13.488334 4.299852 -8.894093 9.188482 0.108832 4.304568
82 13.393015 5.384831 -9.388923 8.008183 0.124872 5.503862
83 13.135560 5.329415 -9.232487 7.806145 0.128104 5.459726
84 13.478669 5.335750 -9.407209 8.142919 0.122806 5.433898
85 11.816430 4.580337 -8.198383 7.236093 0.138196 4.644321
86 12.207516 4.838695 -8.523105 7.368821 0.135707 4.929101
87 13.390652 4.044992 -8.717822 9.345661 0.107002 4.066081
88 13.496539 5.403973 -9.450256 8.092566 0.123570 5.517863
89 13.313053 5.154478 -9.233766 8.158575 0.122570 5.225326
90 11.867488 5.182452 -8.524970 6.685036 0.149588 5.435656
91 13.504319 4.114847 -8.809583 9.389472 0.106502 4.132754
92 13.391032 4.243475 -8.817253 9.147557 0.109319 4.249438
93 12.876636 5.393594 -9.135115 7.483042 0.133635 5.575963
94 12.505290 4.227605 -8.366447 8.277685 0.120807 4.228081
95 12.864125 5.417167 -9.140646 7.446958 0.134283 5.609768
96 11.466112 3.647251 -7.556681 7.818861 0.127896 3.651647
97 13.379240 5.447260 -9.413250 7.931980 0.126072 5.585571
98 11.532523 5.189582 -8.361052 6.342941 0.157656 5.510629
99 13.172715 4.359429 -8.766072 8.813286 0.113465 4.359556
100 13.227220 4.982168 -9.104694 8.245052 0.121285 5.026982
101 13.322319 5.388815 -9.355567 7.933504 0.126048 5.516266
102 13.365681 3.629049 -8.497365 9.736632 0.102705 3.707915
103 12.869812 5.150617 -9.010215 7.719195 0.129547 5.258578
104 13.141900 4.457370 -8.799635 8.684530 0.115147 4.458133
105 11.888936 4.744287 -8.316612 7.144649 0.139965 4.840408
106 13.477794 5.200417 -9.339105 8.277377 0.120811 5.268510
107 12.783133 4.684347 -8.733740 8.098786 0.123475 4.709238
108 12.448496 4.306665 -8.377581 8.141831 0.122822 4.310078
109 12.923810 4.774088 -8.848949 8.149722 0.122704 4.804084
110 12.918266 4.482504 -8.700385 8.435763 0.118543 4.486654
111 12.732854 4.474089 -8.603472 8.258765 0.121083 4.481283
112 13.148925 3.841543 -8.495234 9.307382 0.107442 3.876976
113 13.403839 4.251874 -8.827856 9.151965 0.109266 4.257613
114 13.451120 3.724268 -8.587694 9.726851 0.102808 3.790974
115 13.415927 3.690783 -8.553355 9.725144 0.102826 3.761378
116 12.741944 4.916218 -8.829081 7.825726 0.127784 4.980539
117 13.396885 4.585688 -8.991286 8.811197 0.113492 4.587528
118 13.399237 4.992003 -9.195620 8.407234 0.118945 5.028968
119 13.466692 5.111008 -9.288850 8.355684 0.119679 5.163116
120 11.318547 4.956976 -8.137762 6.361571 0.157194 5.204938
121 12.657132 4.722106 -8.689619 7.935026 0.126024 4.757985
122 13.411100 5.165569 -9.288334 8.245531 0.121278 5.231510
123 13.486777 4.337955 -8.912366 9.148822 0.109304 4.341011
124 13.194740 3.929808 -8.562274 9.264933 0.107934 3.956453
125 12.644476 5.277453 -8.960964 7.367022 0.135740 5.449887
126 11.670272 5.180226 -8.425249 6.490045 0.154082 5.468746
127 13.191075 4.796934 -8.994005 8.394141 0.119131 4.818368
128 13.405415 5.394213 -9.399814 8.011202 0.124825 5.514559
129 13.392410 5.270585 -9.331498 8.121824 0.123125 5.360670
130 13.396250 4.630430 -9.013340 8.765820 0.114079 4.633924
131 13.183622 4.776255 -8.979938 8.407366 0.118943 4.795752
132 12.766095 4.794567 -8.780331 7.971528 0.125446 4.835598
133 12.763361 4.937958 -8.850660 7.825403 0.127789 5.005121
134 13.399149 4.509487 -8.954318 8.889662 0.112490 4.509722
135 12.914079 4.932566 -8.923322 7.981512 0.125290 4.988133
136 13.223366 4.641679 -8.932523 8.581686 0.116527 4.648851
137 12.424333 4.037196 -8.230764 8.387137 0.119230 4.038654
138 12.861340 4.432857 -8.647099 8.428483 0.118645 4.435692
139 13.388455 5.010331 -9.199393 8.378124 0.119358 5.050583
140 12.827786 5.274381 -9.051083 7.553405 0.132391 5.422859
141 13.185475 4.392797 -8.789136 8.792678 0.113731 4.392798
142 13.386873 4.237833 -8.812353 9.149040 0.109301 4.244028
143 12.601082 4.898933 -8.750008 7.702149 0.129834 4.970213
144 13.388946 5.198860 -9.293903 8.190086 0.122099 5.273244
145 13.048422 4.552055 -8.800238 8.496367 0.117697 4.557489
146 12.995510 4.654946 -8.825228 8.340564 0.119896 4.669028
147 13.569787 5.293990 -9.431888 8.275798 0.120834 5.374740
148 13.172316 4.622254 -8.897285 8.550062 0.116958 4.629304
149 13.512061 5.385544 -9.448802 8.126516 0.123054 5.493121
150 13.351638 4.718976 -9.035307 8.632662 0.115839 4.728366
151 13.120407 5.216917 -9.168662 7.903490 0.126526 5.318180
152 13.457521 4.501049 -8.979285 8.956473 0.111651 4.501078
153 13.482519 5.226011 -9.354265 8.256508 0.121117 5.298988
154 11.802071 4.177242 -7.989657 7.624829 0.131150 4.185970
155 11.549418 4.746899 -8.148159 6.802519 0.147004 4.879993
156 13.239240 5.094612 -9.166926 8.144628 0.122780 5.158770
157 13.441704 4.871498 -9.156601 8.570206 0.116683 4.891559
158 13.084245 4.323673 -8.703959 8.760572 0.114148 4.323856
Total energy of the molecule: Ecorr (1)= -380864.957592838
Total energy of the molecule: Euncorr(1)= -380254.638406390
Total energy of the molecule: Edelta (1)= -610.319186449
Dipole moment D(xyz),DA(1)= 208.5106957 -81.3816840 179.3905819 286.8460730
Two-body FMO properties.
========================
DL: D=C dynamically correlated (MP2,CI), D=N not dynamically correlated
(RHF,DFT). D=S separated dimer: semiclassical interaction (ES), D=M MCSCF.
L stands for layer, Z is the monomer charge product, R is the interfragment
distance relative to van-der-Waals radii (-1.00 is printed if distances are
not computed). dDIJ*VIJ is the explicit embedded charge transfer energy.
Q(I->J) is the charge transfer amount, printed as zero if not available.
Positive values correspond to I in IJ having extra negative charge.
I J DL Z R Q(I->J) E"corr E"uncorr E"IJ-E"I-E"J,corr/uncorr dDIJ*VIJ,unc Gsol tot,corr
------------------------------------------------------------------------------------------------------------------------
2 1 C1 0 0.00 0.0000 -11993.156711096 -11984.185005097-350.78590775-350.60962793 0.03462688 0.000 0.000
3 1 C1 0 0.80 0.0000 -12440.909596711 -12431.717599825 0.01357392 0.02770916 0.00486765 0.000 8.518
3 2 C1 0 0.00 0.0000 -11614.421231558 -11605.970773518-351.34969515-351.16883313 0.02860008 0.000 0.000
4 1 S1 0 2.32 0.0000 -12652.931353702 -12652.931134808 0.01846253 0.01868143 0.00000000 0.000 11.585
4 2 C1 0 1.23 0.0000 -11484.455841947 -11476.015307731 -0.01713809 -0.00886009 0.00623379 0.000 -10.754
4 3 C1 0 0.00 0.0000 -12633.729849563 -12624.742832626-350.73877842-350.56645317 0.03637291 0.000 0.000
5 1 S1 0 2.90 0.0000 -13453.350227292 -13453.350149941 0.01688350 0.01696085 0.00000000 0.000 10.595
5 2 S1 0 2.01 0.0000 -12276.410777309 -12276.410541347 0.01296488 0.01320085 0.00000000 0.000 8.136
5 3 C1 0 1.19 0.0000 -13084.337771500 -13074.570764805 0.01557073 0.02290921 0.00647200 0.000 9.771
5 4 C1 0 0.00 0.0000 -13656.578950716 -13646.488742484-350.85844104-350.69056122 0.02936425 0.000 0.000
6 1 C1 0 1.67 0.0000 -8693.470161246 -8684.785611492 -0.00353040 -0.00374979 0.00008061 0.000 -2.215
6 2 C1 0 1.30 0.0000 -7515.616443568 -7507.838124741 -0.00144695 0.00036836 0.00020788 0.000 -0.908
6 3 S1 0 2.07 0.0000 -8306.003699251 -8306.003649615 0.00472567 0.00477531 0.00000000 0.000 2.965
6 4 S1 0 2.47 0.0000 -8527.214212340 -8527.214194734 -0.00128017 -0.00126256 0.00000000 0.000 -0.803
6 5 S1 0 2.95 0.0000 -9327.630757064 -9327.630749206 -0.00053034 -0.00052248 0.00000000 0.000 -0.333
7 1 C1 0 1.16 0.0000 -8693.486122131 -8684.800120826 -0.00074755 -0.00011718 0.00022406 0.000 -0.469
7 2 C1 0 1.69 0.0000 -7515.643218585 -7507.864405731 -0.00947822 -0.00777068 0.00029538 0.000 -5.948
7 3 S1 0 2.00 0.0000 -8306.024773938 -8306.024708291 0.00179293 0.00185858 0.00000000 0.000 1.125
7 4 C1 0 1.94 0.0000 -8535.554563936 -8527.232166803 -0.00128884 -0.00109268 0.00006239 0.000 -0.809
7 5 C1 0 1.44 0.0000 -9336.914486842 -9327.647200490 0.00105935 0.00116819 0.00015840 0.000 0.665
7 6 C1 0 1.21 0.0000 -4566.729087644 -4559.062405998 0.00048022 0.00071359 0.00008013 0.000 0.301
8 1 C1 0 1.77 0.0000 -8693.465566623 -8684.780086502 -0.00410216 -0.00440051 0.00007712 0.000 -2.574
8 2 C1 0 1.97 0.0000 -7515.609518583 -7507.830360230 0.00031166 0.00195717 0.00007962 0.000 0.196
8 3 C1 0 1.17 0.0000 -8314.168923875 -8306.008823079 -0.00672634 -0.00657386 0.00032483 0.000 -4.221
8 4 C1 0 1.34 0.0000 -8535.527886131 -8527.204250712 0.00147885 0.00250575 0.00023786 0.000 0.928
8 5 S1 0 2.18 0.0000 -9327.626156092 -9327.626095190 -0.00210507 -0.00204417 0.00000000 0.000 -1.321
8 6 C1 0 1.41 0.0000 -4566.708456863 -4559.041594269 -0.00279912 -0.00279234 0.00010078 0.000 -1.756
8 7 C1 0 1.20 0.0000 -4566.727546406 -4559.059663645 -0.00314492 -0.00271976 0.00020477 0.000 -1.973
9 1 C1 0 0.93 0.0000 -8693.474048885 -8684.786085074 -0.00147125 -0.00059943 0.00039798 0.000 -0.923
9 2 C1 0 1.41 0.0000 -7515.615686196 -7507.834626327 0.00525721 0.00749072 0.00021817 0.000 3.299
9 3 S1 0 2.32 0.0000 -8306.015301109 -8306.015289384 -0.00325224 -0.00324051 0.00000000 0.000 -2.041
9 4 S1 0 3.60 0.0000 -8527.216156011 -8527.216148381 0.00040011 0.00040774 0.00000000 0.000 0.251
9 5 S1 0 2.74 0.0000 -9327.632040534 -9327.632016637 0.00181014 0.00183404 0.00000000 0.000 1.136
9 6 C1 0 0.84 0.0000 -4566.717716790 -4559.047016657 -0.00094588 0.00158493 0.00041564 0.000 -0.594
9 7 C1 0 1.69 0.0000 -4566.731088440 -4559.061930372 0.00442621 0.00481316 0.00007421 0.000 2.777
9 8 C1 0 0.79 0.0000 -4566.691977494 -4559.020996223 0.01962704 0.02142966 0.00029410 0.000 12.316
10 1 S1 0 2.89 0.0000 -8684.793335204 -8684.793320278 0.00123511 0.00125004 0.00000000 0.000 0.775
10 2 S1 0 2.65 0.0000 -7507.854879678 -7507.854865151 -0.00367796 -0.00366343 0.00000000 0.000 -2.308
10 3 S1 0 2.45 0.0000 -8306.020459023 -8306.020447332 0.00067451 0.00068621 0.00000000 0.000 0.423
10 4 S1 0 3.23 0.0000 -8527.225305742 -8527.225296050 0.00033504 0.00034474 0.00000000 0.000 0.210
10 5 S1 0 2.04 0.0000 -9327.642027539 -9327.641981611 0.00090780 0.00095373 0.00000000 0.000 0.570
10 6 C1 0 0.79 0.0000 -4566.684240985 -4559.013395555 0.04117387 0.04429069 0.00052268 0.000 25.837
10 7 C1 0 1.61 0.0000 -4566.749326932 -4559.081266373 -0.00516834 -0.00543817 0.00005347 0.000 -3.243
10 8 C1 0 1.41 0.0000 -4566.722500592 -4559.053790251 -0.00225211 -0.00227971 0.00006092 0.000 -1.413
10 9 C1 0 0.88 0.0000 -4566.743571383 -4559.072465152 -0.01220974 -0.01115496 0.00022822 0.000 -7.662
11 1 S1 0 2.60 0.0000 -8684.791199421 -8684.791176209 -0.00105944 -0.00103622 0.00000000 0.000 -0.665
11 2 C1 0 1.84 0.0000 -7515.623083592 -7507.845286366 -0.00033326 0.00148502 0.00005815 0.000 -0.209
11 3 S1 0 2.47 0.0000 -8306.016729491 -8306.016713437 -0.00002628 -0.00001023 0.00000000 0.000 -0.016
11 4 S1 0 3.52 0.0000 -8527.222404339 -8527.222397629 -0.00119388 -0.00118717 0.00000000 0.000 -0.749
11 5 S1 0 3.52 0.0000 -9327.640195411 -9327.640188091 -0.00169040 -0.00168308 0.00000000 0.000 -1.061
11 6 C1 0 0.83 0.0000 -4566.703113860 -4559.034822485 0.01546397 0.01843344 0.00040585 0.000 9.704
11 7 C1 0 0.84 0.0000 -4566.742268601 -4559.073721812 -0.00494702 -0.00232394 0.00023148 0.000 -3.104
11 8 C1 0 0.79 0.0000 -4566.680566638 -4559.009673365 0.03284482 0.03740685 0.00077499 0.000 20.610
11 9 C1 0 0.85 0.0000 -4566.731602685 -4559.063330125 -0.00707806 -0.00645026 0.00019506 0.000 -4.442
11 10 C1 0 1.58 0.0000 -4566.732599920 -4559.065224586 0.00056865 0.00073995 0.00008967 0.000 0.357
12 1 C1 0 0.90 0.0000 -8693.465623512 -8684.780534747 0.00325578 0.00516761 0.00037683 0.000 2.043
12 2 C1 0 1.46 0.0000 -7515.618100564 -7507.840798745 -0.00085550 0.00153501 0.00042182 0.000 -0.537
12 3 C1 0 1.38 0.0000 -8314.169130837 -8306.011404134 0.00048151 0.00086144 0.00013089 0.000 0.302
12 4 C1 0 1.45 0.0000 -8535.537055997 -8527.216605449 -0.00027619 0.00016738 0.00004192 0.000 -0.173
12 5 C1 0 1.74 0.0000 -9336.901163046 -9327.636082358 -0.00211216 -0.00201498 0.00011469 0.000 -1.325
12 6 C1 0 0.85 0.0000 -4566.708649830 -4559.040321989 0.00442273 0.00849630 0.00053913 0.000 2.775
12 7 C1 0 0.82 0.0000 -4566.711118682 -4559.043475615 0.02069763 0.02348462 0.00037954 0.000 12.988
12 8 C1 0 0.92 0.0000 -4566.709976718 -4559.042810939 -0.00207053 -0.00016835 0.00022275 0.000 -1.299
12 9 C1 0 0.82 0.0000 -4566.699754642 -4559.029991203 0.01926471 0.02245104 0.00033152 0.000 12.089
12 10 C1 0 0.85 0.0000 -4566.733240805 -4559.064859551 -0.00557751 -0.00333265 0.00033427 0.000 -3.500
12 11 C1 0 0.96 0.0000 -4566.720447052 -4559.055920732 0.00037923 0.00117584 0.00020203 0.000 0.238
13 1 S1 0 2.70 0.0000 -8684.785979065 -8684.785965622 0.00295146 0.00296490 0.00000000 0.000 1.852
13 2 S1 0 2.92 0.0000 -7507.847386389 -7507.847379364 -0.00182447 -0.00181744 0.00000000 0.000 -1.145
13 3 S1 0 2.38 0.0000 -8306.015230982 -8306.015216070 0.00026276 0.00027767 0.00000000 0.000 0.165
13 4 S1 0 2.48 0.0000 -8527.222516120 -8527.222503190 -0.00251513 -0.00250220 0.00000000 0.000 -1.578
13 5 S1 0 2.55 0.0000 -9327.640968799 -9327.640934289 -0.00367325 -0.00363874 0.00000000 0.000 -2.305
13 6 C1 0 0.79 0.0000 -4566.688260977 -4559.021456255 0.02903131 0.03059020 0.00033218 0.000 18.217
13 7 C1 0 0.79 0.0000 -4566.693820102 -4559.021353503 0.04221593 0.04883490 0.00083714 0.000 26.491
13 8 C1 0 0.85 0.0000 -4566.715283700 -4559.046207459 -0.00315778 -0.00033671 0.00059031 0.000 -1.982
13 9 C1 0 0.82 0.0000 -4566.691000960 -4559.018692675 0.03223812 0.03697773 0.00092184 0.000 20.230
13 10 C1 0 0.92 0.0000 -4566.731992071 -4559.063408638 -0.00010905 0.00134643 0.00024027 0.000 -0.068
13 11 C1 0 0.85 0.0000 -4566.731100017 -4559.064298183 -0.00605401 -0.00397344 0.00034419 0.000 -3.799
13 12 C1 0 1.44 0.0000 -4566.719463703 -4559.055664719 0.00007703 0.00022239 0.00008414 0.000 0.048
14 1 C1 0 1.40 0.0000 -8693.462483243 -8684.778645709 0.00614582 0.00679798 0.00014526 0.000 3.857
14 2 C1 0 0.90 0.0000 -7515.623790278 -7507.846147624 -0.00679544 -0.00407254 0.00024626 0.000 -4.264
14 3 C1 0 1.22 0.0000 -8314.172447354 -8306.014825972 -0.00308523 -0.00281906 0.00045837 0.000 -1.936
14 4 C1 0 1.76 0.0000 -8535.536523904 -8527.216187816 0.00000567 0.00032634 0.00015199 0.000 0.004
14 5 C1 0 0.85 0.0000 -9336.900614327 -9327.632597336 -0.00181366 0.00121138 0.00048478 0.000 -1.138
14 6 C1 0 0.85 0.0000 -4566.738135454 -4559.072332212 -0.02531311 -0.02377259 0.00048206 0.000 -15.884
14 7 C1 0 0.85 0.0000 -4566.737515219 -4559.069850906 -0.00594914 -0.00314933 0.00030674 0.000 -3.733
14 8 C1 0 0.85 0.0000 -4566.709035557 -4559.042708999 -0.00137959 -0.00032508 0.00029805 0.000 -0.866
14 9 C1 0 0.85 0.0000 -4566.732688173 -4559.065118999 -0.01391904 -0.01293543 0.00042849 0.000 -8.734
14 10 C1 0 1.73 0.0000 -4566.731987601 -4559.066085454 -0.00457453 -0.00481722 0.00006681 0.000 -2.871
14 11 C1 0 1.27 0.0000 -4566.719875922 -4559.055463377 0.00070013 0.00137453 0.00025572 0.000 0.439
14 12 C1 0 1.18 0.0000 -4566.718482536 -4559.055347267 -0.00341175 -0.00294699 0.00013744 0.000 -2.141
14 13 C1 0 0.79 0.0000 -4566.693979301 -4559.025638776 0.02531121 0.02998967 0.00079055 0.000 15.883
15 1 S1 0 2.04 0.0000 -8684.785929161 -8684.785897936 0.00081799 0.00084922 0.00000000 0.000 0.513
15 2 S1 0 2.72 0.0000 -7507.844406166 -7507.844395669 -0.00102761 -0.00101712 0.00000000 0.000 -0.645
15 3 S1 0 2.30 0.0000 -8306.011584941 -8306.011564990 0.00172543 0.00174538 0.00000000 0.000 1.083
15 4 S1 0 2.12 0.0000 -8527.217442162 -8527.217415949 0.00037546 0.00040167 0.00000000 0.000 0.236
15 5 C1 0 1.44 0.0000 -9336.903472472 -9327.635919333 -0.00104828 -0.00080716 0.00010392 0.000 -0.658
15 6 C1 0 0.95 0.0000 -4566.718016296 -4559.049215770 -0.00157043 0.00064732 0.00028095 0.000 -0.985
15 7 C1 0 0.91 0.0000 -4566.732589658 -4559.062514583 0.00259995 0.00549045 0.00016925 0.000 1.631
15 8 C1 0 1.38 0.0000 -4566.717858708 -4559.050563119 -0.00657922 -0.00687574 0.00009016 0.000 -4.129
15 9 C1 0 1.66 0.0000 -4566.721084744 -4559.052046809 0.00130791 0.00144023 0.00004282 0.000 0.821
15 10 C1 0 0.92 0.0000 -4566.737552973 -4559.067366711 -0.00651638 -0.00479501 0.00023944 0.000 -4.089
15 11 C1 0 0.93 0.0000 -4566.729259904 -4559.060563207 -0.00506033 -0.00242184 0.00030591 0.000 -3.175
15 12 C1 0 0.85 0.0000 -4566.718841290 -4559.051021660 -0.00014698 0.00268208 0.00020816 0.000 -0.092
15 13 C1 0 1.59 0.0000 -4566.721293441 -4559.055109612 0.00162059 0.00182230 0.00005411 0.000 1.017
15 14 C1 0 0.88 0.0000 -4566.707292111 -4559.039854320 0.01115197 0.01359075 0.00032381 0.000 6.998
16 1 C1 0 0.93 0.0000 -8693.474004516 -8684.788025006 -0.00112079 -0.00030476 0.00012171 0.000 -0.703
16 2 C1 0 1.69 0.0000 -7515.618947931 -7507.840242744 0.00230157 0.00410890 0.00005361 0.000 1.444
16 3 C1 0 1.64 0.0000 -8314.174336182 -8306.014786108 -0.00071939 -0.00050264 0.00011388 0.000 -0.451
16 4 C1 0 0.91 0.0000 -8535.553396598 -8527.230039527 -0.01261236 -0.01124881 0.00049458 0.000 -7.914
16 5 C1 0 1.47 0.0000 -9336.902209417 -9327.635174022 0.00084591 0.00091125 0.00013774 0.000 0.531
16 6 C1 0 0.85 0.0000 -4566.719750510 -4559.051281414 -0.00267351 -0.00044523 0.00063763 0.000 -1.678
16 7 C1 0 0.97 0.0000 -4566.744207313 -4559.076164727 -0.00838657 -0.00718660 0.00031993 0.000 -5.263
16 8 C1 0 0.79 0.0000 -4566.675841929 -4559.006253076 0.03606870 0.03840740 0.00058353 0.000 22.633
16 9 C1 0 1.58 0.0000 -4566.727348418 -4559.058983490 -0.00432462 -0.00452336 0.00008198 0.000 -2.714
16 10 C1 0 0.92 0.0000 -4566.738926666 -4559.069722750 -0.00725893 -0.00617796 0.00020015 0.000 -4.555
16 11 C1 0 0.85 0.0000 -4566.736854521 -4559.067947669 -0.01202380 -0.00883320 0.00045392 0.000 -7.545
16 12 C1 0 0.85 0.0000 -4566.728630174 -4559.062933981 -0.00930472 -0.00825715 0.00030000 0.000 -5.839
16 13 C1 0 0.79 0.0000 -4566.695593539 -4559.027104440 0.02795163 0.03080056 0.00042191 0.000 17.540
16 14 C1 0 0.85 0.0000 -4566.721798414 -4559.054518291 -0.00272319 -0.00010012 0.00021432 0.000 -1.709
16 15 C1 0 0.85 0.0000 -4566.695630954 -4559.026629456 0.02706779 0.02909218 0.00037022 0.000 16.985
17 1 C1 0 2.00 0.0000 -8693.471685973 -8684.788748726 -0.00496400 -0.00537947 0.00008959 0.000 -3.115
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111 27 C1 0 0.90 0.0000 -4566.717323063 -4559.049291016 0.01203512 0.01436661 0.00036362 0.000 7.552
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111 30 C1 0 0.79 0.0000 -4566.691735953 -4559.026031354 0.02119236 0.02296119 0.00035132 0.000 13.298
111 31 C1 0 0.92 0.0000 -4566.716201798 -4559.048152194 0.00048065 0.00290861 0.00023158 0.000 0.302
111 32 C1 0 0.91 0.0000 -4566.716996507 -4559.050573877 0.00007360 0.00151105 0.00029877 0.000 0.046
111 33 C1 0 0.87 0.0000 -4566.724659101 -4559.056292792 -0.01047852 -0.00597033 0.00050454 0.000 -6.575
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111 43 C1 0 1.00 0.0000 -4566.724090110 -4559.057312605 -0.00240672 -0.00171259 0.00017619 0.000 -1.510
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111 45 C1 0 0.85 0.0000 -4566.709224040 -4559.041314012 0.00562844 0.00967972 0.00049478 0.000 3.532
111 46 C1 0 0.91 0.0000 -4566.711153423 -4559.044563536 0.00026474 0.00282504 0.00029775 0.000 0.166
111 47 C1 0 0.79 0.0000 -4566.687756586 -4559.022781149 0.02747858 0.02866673 0.00052988 0.000 17.243
111 48 C1 0 0.95 0.0000 -4566.722373582 -4559.055677658 -0.00679222 -0.00614019 0.00020752 0.000 -4.262
111 49 C1 0 0.88 0.0000 -4566.687008707 -4559.017330074 0.01974954 0.02123599 0.00033892 0.000 12.393
111 50 C1 0 0.85 0.0000 -4566.723846390 -4559.056346336 -0.00754533 -0.00472324 0.00018448 0.000 -4.735
111 51 C1 0 0.79 0.0000 -4566.673886849 -4559.008432126 0.03918527 0.03994401 0.00036321 0.000 24.589
111 52 C1 0 1.78 0.0000 -4566.713257891 -4559.047006945 0.00205405 0.00224744 0.00004755 0.000 1.289
111 53 C1 0 1.43 0.0000 -4566.690093643 -4559.024125418 0.00106432 0.00132935 0.00010995 0.000 0.668
111 54 C1 0 0.85 0.0000 -4566.704337107 -4559.035860963 -0.02708178 -0.02327380 0.00070358 0.000 -16.994
111 55 C1 0 0.84 0.0000 -4566.727493331 -4559.061927678 -0.01330446 -0.01244404 0.00033458 0.000 -8.349
111 56 C1 0 0.85 0.0000 -4566.709544919 -4559.043479164 0.00458130 0.00671897 0.00023882 0.000 2.875
111 57 C1 0 1.34 0.0000 -4566.719400283 -4559.054629802 -0.00509659 -0.00505653 0.00015146 0.000 -3.198
111 58 C1 0 0.92 0.0000 -4566.713105402 -4559.046713576 0.00272009 0.00520037 0.00019408 0.000 1.707
111 59 C1 0 0.83 0.0000 -4566.710744777 -4559.043553309 0.00199772 0.00523236 0.00053333 0.000 1.254
111 60 C1 0 0.85 0.0000 -4566.731025228 -4559.061008794 -0.01336023 -0.00966052 0.00046161 0.000 -8.384
111 61 C1 0 0.79 0.0000 -4566.679996744 -4559.009593691 0.03200102 0.03835390 0.00097515 0.000 20.081
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150 25 C1 0 0.85 0.0000 -4566.697880427 -4559.030177721 0.01444937 0.01809545 0.00056933 0.000 9.067
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150 27 C1 0 0.79 0.0000 -4566.689087472 -4559.021926608 0.04099153 0.04344846 0.00041305 0.000 25.723
150 28 C1 0 0.91 0.0000 -4566.710452209 -4559.040829993 0.00550974 0.01189014 0.00051721 0.000 3.457
150 29 C1 0 0.81 0.0000 -4566.692525011 -4559.024762403 0.02870161 0.03013392 0.00025269 0.000 18.011
150 30 C1 0 0.85 0.0000 -4566.728703923 -4559.062700065 -0.01505478 -0.01199008 0.00044993 0.000 -9.447
150 31 C1 0 0.86 0.0000 -4566.718394216 -4559.051169015 -0.00099094 0.00160923 0.00030333 0.000 -0.622
150 32 C1 0 0.79 0.0000 -4566.692102511 -4559.022723848 0.02568842 0.03107852 0.00056593 0.000 16.120
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158 63 C1 0 0.88 0.0000 -5099.491964318 -5090.927792107 -0.01000731 -0.00831970 0.00026072 0.000 -6.280
158 64 C1 0 0.80 0.0000 -5099.510473899 -5090.948171323 0.00612941 0.00926202 0.00036209 0.000 3.846
158 65 C1 0 0.85 0.0000 -5099.505116182 -5090.940536111 0.00887756 0.01436910 0.00061723 0.000 5.571
158 66 C1 0 0.83 0.0000 -5099.492822891 -5090.929679432 0.01774669 0.01989568 0.00042181 0.000 11.136
158 67 C1 0 0.81 0.0000 -5099.494409738 -5090.931522130 0.01938568 0.02303225 0.00072775 0.000 12.165
158 68 C1 0 0.88 0.0000 -5099.505407989 -5090.938044825 0.00436699 0.01212960 0.00078636 0.000 2.740
158 69 C1 0 0.92 0.0000 -5099.516183554 -5090.955230385 -0.00170832 0.00018482 0.00020074 0.000 -1.072
158 70 C1 0 0.83 0.0000 -5099.513687992 -5090.950749982 0.00639968 0.00732501 0.00039555 0.000 4.016
158 71 C1 0 1.03 0.0000 -5099.523195054 -5090.962964623 -0.01309560 -0.01222806 0.00043165 0.000 -8.218
158 72 C1 0 0.86 0.0000 -5099.519829056 -5090.956986499 -0.00788812 -0.00431289 0.00031424 0.000 -4.950
158 73 C1 0 0.79 0.0000 -5099.500993261 -5090.939033300 0.01681036 0.01975386 0.00049396 0.000 10.549
158 74 C1 0 0.92 0.0000 -5099.494455605 -5090.928849303 0.00060243 0.00286613 0.00022545 0.000 0.378
158 75 C1 0 0.83 0.0000 -5099.505319563 -5090.941664524 0.00718240 0.01157431 0.00044810 0.000 4.507
158 76 C1 0 0.84 0.0000 -5099.499182495 -5090.933957833 0.02034944 0.02390021 0.00052404 0.000 12.769
158 77 C1 0 0.85 0.0000 -5099.502525592 -5090.939249013 0.01157679 0.01574824 0.00050991 0.000 7.265
158 78 C1 0 0.94 0.0000 -5099.506028870 -5090.943254644 0.00216298 0.00303343 0.00011724 0.000 1.357
158 79 C1 0 0.85 0.0000 -5099.524125878 -5090.960324948 -0.00730164 -0.00406785 0.00029967 0.000 -4.582
158 80 C1 0 0.97 0.0000 -5099.521241726 -5090.959886768 -0.00637190 -0.00566236 0.00025374 0.000 -3.998
158 81 C1 0 1.35 0.0000 -5099.512243240 -5090.952696807 0.00248757 0.00288381 0.00011282 0.000 1.561
158 82 C1 0 0.92 0.0000 -5099.511889288 -5090.950929020 -0.00041913 0.00120218 0.00038220 0.000 -0.263
158 83 C1 0 0.79 0.0000 -5099.455506463 -5090.890394268 0.05830133 0.06426186 0.00089290 0.000 36.585
158 84 C1 0 0.85 0.0000 -5099.519478530 -5090.959147668 -0.00695769 -0.00582985 0.00038932 0.000 -4.366
158 85 C1 0 0.92 0.0000 -5099.488855380 -5090.922668585 -0.00288892 0.00101674 0.00025592 0.000 -1.813
158 86 C1 0 0.85 0.0000 -5099.503203387 -5090.935379965 -0.00144362 0.00595152 0.00075300 0.000 -0.906
158 87 C1 0 0.79 0.0000 -5099.516680146 -5090.951473648 0.00198555 0.00502315 0.00055350 0.000 1.246
158 88 C1 0 0.92 0.0000 -5099.514429581 -5090.952026702 -0.00044885 0.00285387 0.00031843 0.000 -0.282
158 89 C1 0 0.79 0.0000 -5099.450553433 -5090.887230146 0.06134151 0.06530238 0.00057528 0.000 38.492
158 90 C1 0 0.79 0.0000 -5099.474692934 -5090.908264988 0.03722150 0.04373080 0.00086440 0.000 23.357
158 91 C1 0 0.87 0.0000 -5099.520835394 -5090.957707310 -0.00827822 -0.00570568 0.00033683 0.000 -5.195
158 92 C1 0 1.63 0.0000 -5099.517262366 -5090.958147251 -0.00358698 -0.00373839 0.00007436 0.000 -2.251
158 93 C1 0 1.03 0.0000 -5099.512062201 -5090.951689130 -0.00365716 -0.00298832 0.00020988 0.000 -2.295
158 94 C1 0 0.85 0.0000 -5099.498030828 -5090.932539232 0.00550888 0.01024885 0.00066193 0.000 3.457
158 95 C1 0 0.84 0.0000 -5099.516927719 -5090.954152865 -0.00055862 0.00163312 0.00034150 0.000 -0.351
158 96 C1 0 1.31 0.0000 -5099.473274408 -5090.911400088 -0.00501144 -0.00501354 0.00011303 0.000 -3.145
158 97 C1 0 0.85 0.0000 -5099.535505955 -5090.974755677 -0.02052803 -0.01881198 0.00066886 0.000 -12.882
158 98 C1 0 0.85 0.0000 -5099.500578919 -5090.935742091 -0.00479162 0.00049089 0.00070691 0.000 -3.007
158 99 C1 0 0.85 0.0000 -5099.541417861 -5090.976613540 -0.02134457 -0.01794421 0.00077467 0.000 -13.394
158 100 C1 0 0.85 0.0000 -5099.516719407 -5090.953567717 -0.00444984 -0.00072318 0.00049289 0.000 -2.792
158 101 C1 0 0.92 0.0000 -5099.515189391 -5090.955116447 -0.00025640 0.00075984 0.00011496 0.000 -0.161
158 102 C1 0 0.79 0.0000 -5099.492295431 -5090.929399307 0.02203758 0.02440904 0.00044521 0.000 13.829
158 103 C1 0 0.79 0.0000 -5099.496266551 -5090.935685943 0.01923563 0.02023735 0.00021366 0.000 12.071
158 104 C1 0 0.85 0.0000 -5099.524421452 -5090.958190684 0.00217817 0.00612255 0.00029103 0.000 1.367
158 105 C1 0 0.98 0.0000 -5099.499166149 -5090.936132165 -0.00292075 0.00003029 0.00039622 0.000 -1.833
158 106 C1 0 0.85 0.0000 -5099.503286531 -5090.939330296 0.01088476 0.01568219 0.00040758 0.000 6.830
158 107 C1 0 0.87 0.0000 -5099.520936404 -5090.958887831 0.00371292 0.00626994 0.00015464 0.000 2.330
158 108 C1 0 1.47 0.0000 -5099.494055791 -5090.930135670 0.00179923 0.00208449 0.00014341 0.000 1.129
158 109 C1 0 0.84 0.0000 -5099.529945660 -5090.966606821 -0.00977534 -0.00639683 0.00029336 0.000 -6.134
158 110 C1 0 0.79 0.0000 -5099.460722944 -5090.895244275 0.05057197 0.05510567 0.00061160 0.000 31.734
158 111 C1 0 0.85 0.0000 -5099.531671163 -5090.968090395 -0.01809044 -0.01473863 0.00064629 0.000 -11.352
158 112 C1 0 0.85 0.0000 -5099.515989331 -5090.950538091 -0.01463813 -0.01047688 0.00041798 0.000 -9.186
158 113 C1 0 0.84 0.0000 -5099.486515192 -5090.921017144 0.02165373 0.02583648 0.00058859 0.000 13.588
158 114 C1 0 0.79 0.0000 -5099.488460748 -5090.921455724 0.02395387 0.03133039 0.00096327 0.000 15.031
158 115 C1 0 1.03 0.0000 -5099.513245472 -5090.952428941 -0.00057341 0.00029321 0.00023989 0.000 -0.360
158 116 C1 0 0.84 0.0000 -5099.521741556 -5090.956335461 -0.00338456 0.00223013 0.00053097 0.000 -2.124
158 117 C1 0 0.85 0.0000 -5099.518932518 -5090.954844861 0.00071031 0.00395864 0.00039119 0.000 0.446
158 118 C1 0 0.85 0.0000 -5099.504330927 -5090.941143172 0.00825813 0.01221365 0.00046255 0.000 5.182
158 119 C1 0 0.85 0.0000 -5099.526147099 -5090.961080312 -0.00449258 -0.00044635 0.00042854 0.000 -2.819
158 120 C1 0 0.85 0.0000 -5099.466352877 -5090.902284499 -0.01103841 -0.00817648 0.00032408 0.000 -6.927
158 121 C1 0 1.05 0.0000 -5099.533721374 -5090.970585087 -0.00487183 -0.00412745 0.00024039 0.000 -3.057
158 122 C1 0 0.85 0.0000 -5099.520304855 -5090.959064684 -0.00847371 -0.00660399 0.00034404 0.000 -5.317
158 123 C1 0 0.84 0.0000 -5099.483785313 -5090.918444515 0.02831918 0.03374659 0.00056992 0.000 17.771
158 124 C1 0 0.85 0.0000 -5099.528586569 -5090.964752077 -0.00581181 -0.00464989 0.00025427 0.000 -3.647
158 125 C1 0 0.82 0.0000 -5099.476541295 -5090.911852043 0.01681854 0.02051704 0.00071279 0.000 10.554
158 126 C1 0 0.92 0.0000 -5099.489189693 -5090.925825462 0.01161895 0.01514746 0.00038200 0.000 7.291
158 127 C1 0 0.85 0.0000 -5099.513607552 -5090.947015325 -0.00599339 0.00001717 0.00070224 0.000 -3.761
158 128 C1 0 0.85 0.0000 -5099.510994623 -5090.950275022 0.00016443 0.00156444 0.00033415 0.000 0.103
158 129 C1 0 0.85 0.0000 -5099.526094880 -5090.966628917 -0.01001022 -0.00953714 0.00024834 0.000 -6.282
158 130 C1 0 0.92 0.0000 -5099.512632451 -5090.950089540 0.00146388 0.00481393 0.00036277 0.000 0.919
158 131 C1 0 0.99 0.0000 -5099.511409973 -5090.950674414 -0.00026775 0.00110909 0.00029949 0.000 -0.168
158 132 C1 0 0.85 0.0000 -5099.529512776 -5090.968036665 -0.00435380 -0.00244231 0.00036389 0.000 -2.732
158 133 C1 0 0.85 0.0000 -5099.512834927 -5090.947737663 0.00756957 0.01230668 0.00033775 0.000 4.750
158 134 C1 0 1.86 0.0000 -5099.517250795 -5090.957689249 -0.00259240 -0.00271324 0.00006347 0.000 -1.627
158 135 C1 0 0.85 0.0000 -5099.511999850 -5090.948881093 0.00021621 0.00332264 0.00053748 0.000 0.136
158 136 C1 0 1.35 0.0000 -5099.525823963 -5090.964656518 -0.00449217 -0.00439317 0.00016481 0.000 -2.819
158 137 C1 0 1.60 0.0000 -5099.510042372 -5090.947704743 -0.00105926 -0.00103556 0.00006438 0.000 -0.665
158 138 C1 0 1.13 0.0000 -5099.504045813 -5090.942005703 -0.00252008 -0.00232450 0.00009758 0.000 -1.581
158 139 C1 0 0.84 0.0000 -5099.520829471 -5090.958774594 -0.00339251 -0.00046757 0.00033860 0.000 -2.129
158 140 C1 0 0.90 0.0000 -5099.526194897 -5090.965216914 -0.00864374 -0.00752377 0.00033957 0.000 -5.424
158 141 C1 0 0.85 0.0000 -5099.511806050 -5090.947814053 0.00039279 0.00304182 0.00037169 0.000 0.246
158 142 C1 0 0.85 0.0000 -5099.518561766 -5090.957232237 -0.00499192 -0.00359644 0.00040540 0.000 -3.132
158 143 C1 0 0.86 0.0000 -5099.489156997 -5090.923123777 0.01438151 0.01948464 0.00048887 0.000 9.025
158 144 C1 0 0.85 0.0000 -5099.503893004 -5090.943238566 0.01097941 0.01259235 0.00027928 0.000 6.890
158 145 C1 0 0.85 0.0000 -5099.538596751 -5090.974619545 -0.01703573 -0.01285459 0.00041895 0.000 -10.690
158 146 C1 0 1.30 0.0000 -5099.516881092 -5090.955976769 -0.00037066 0.00001414 0.00017151 0.000 -0.233
158 147 C1 0 0.84 0.0000 -5099.502567475 -5090.940161291 0.00984589 0.01300429 0.00058573 0.000 6.178
158 148 C1 0 0.79 0.0000 -5099.500015667 -5090.934252841 0.02700316 0.03207769 0.00045674 0.000 16.945
158 149 C1 0 0.85 0.0000 -5099.524416270 -5090.964097305 -0.01136336 -0.01020407 0.00045136 0.000 -7.131
158 150 C1 0 0.91 0.0000 -5099.511116137 -5090.948269712 0.00318541 0.00679949 0.00026319 0.000 1.999
158 151 C1 0 1.02 0.0000 -5099.524649795 -5090.964610785 -0.00745582 -0.00658995 0.00027583 0.000 -4.679
158 152 C1 0 0.85 0.0000 -5099.528697723 -5090.965966941 -0.01213582 -0.00889610 0.00046864 0.000 -7.615
158 153 C1 0 0.92 0.0000 -5099.525043471 -5090.964703914 -0.01173080 -0.01054440 0.00028867 0.000 -7.361
158 154 C1 0 1.63 0.0000 -5099.497916485 -5090.937919145 -0.00437798 -0.00460591 0.00006695 0.000 -2.747
158 155 C1 0 0.85 0.0000 -5099.501180665 -5090.936434872 -0.01157817 -0.00848303 0.00065498 0.000 -7.265
158 156 C1 0 1.66 0.0000 -5099.514593380 -5090.955144518 -0.00023088 -0.00018080 0.00005322 0.000 -0.145
158 157 C1 0 0.85 0.0000 -5099.513925220 -5090.950819360 -0.00157149 0.00228155 0.00042543 0.000 -0.986
Total energy of the molecule: Ecorr (2)= -382236.589266623
Total energy of the molecule: Etotpol(2)= -3.851018393
Total energy of the molecule: Euncorr(2)= -381598.355060452
Total energy of the molecule: Edelta (2)= -638.234206171
The backbone energy EBBcorr (2)= -382268.561451084
The backbone energy EBBuncorr(2)= -381657.544917720
Dipole moment D(xyz),DA(2)= 197.8956519 -56.1858301 144.5330547 251.4146782
ONE ELECTRON ENERGY = -46382483.1276938468
TWO ELECTRON ENERGY = 26054934.4729151800
NUCLEAR REPULSION ENERGY = 19945312.0655120462
-----------------------
TOTAL ENERGY = -382236.5892666231
ELECTRON-ELECTRON POTENTIAL ENERGY = 26054934.4729151800
NUCLEUS-ELECTRON POTENTIAL ENERGY = -46764670.0324572101
NUCLEUS-NUCLEUS POTENTIAL ENERGY = 19945312.0655120462
-----------------------
TOTAL POTENTIAL ENERGY = -764423.4940299839
TOTAL KINETIC ENERGY = 382186.9047633663
VIRIAL RATIO (V/T) = 2.0001300005
The best FMO energy is -382236.589266623
Done with FMO properties.
CPU 0: STEP CPU TIME= 0.05 TOTAL CPU TIME= 2649.5 ( 44.2 MIN)
TOTAL WALL CLOCK TIME= 2132.6 SECONDS, CPU UTILIZATION IS 124.24%
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 2649.5 ( 44.2 MIN)
TOTAL WALL CLOCK TIME= 2132.6 SECONDS, CPU UTILIZATION IS 124.24%
Tim: ini 0.32 mon 819.32 dim 1311.32 trim 0.00 prp 0.36 total 2131.33
Total timing statistics in pairs (CPU,wall) for each rank, sec
Rank total SCF corr DFT CPHF EFP solv ESP geom
-------------------------------------------------------------------------------
1 2649.5 490.7 1402.8 0.0 0.0 0.0 0.0 0.0 0.0
1 2132.6 491.6 814.6 0.0 0.0 0.0 0.0 0.0 0.0
2 2719.0 504.8 1426.9 0.0 0.0 0.0 0.0 0.0 0.0
2 2132.6 492.7 820.9 0.0 0.0 0.0 0.0 0.0 0.0
3 2656.6 503.0 1386.6 0.0 0.0 0.0 0.0 0.0 0.0
3 2132.6 492.6 826.7 0.0 0.0 0.0 0.0 0.0 0.0
4 2557.9 483.8 1386.7 0.0 0.0 0.0 0.0 0.0 0.0
4 2132.6 492.7 826.6 0.0 0.0 0.0 0.0 0.0 0.0
5 2554.5 478.7 1390.3 0.0 0.0 0.0 0.0 0.0 0.0
5 2132.6 492.7 832.8 0.0 0.0 0.0 0.0 0.0 0.0
6 2569.7 476.7 1383.0 0.0 0.0 0.0 0.0 0.0 0.0
6 2132.6 492.8 836.5 0.0 0.0 0.0 0.0 0.0 0.0
7 2576.0 480.4 1407.5 0.0 0.0 0.0 0.0 0.0 0.0
7 2132.6 492.7 836.0 0.0 0.0 0.0 0.0 0.0 0.0
8 2611.6 483.0 1411.4 0.0 0.0 0.0 0.0 0.0 0.0
8 2132.6 492.8 844.2 0.0 0.0 0.0 0.0 0.0 0.0
9 2479.2 461.9 1415.4 0.0 0.0 0.0 0.0 0.0 0.0
9 2132.6 463.2 821.9 0.0 0.0 0.0 0.0 0.0 0.0
10 2590.0 473.8 1445.8 0.0 0.0 0.0 0.0 0.0 0.0
10 2132.6 464.8 829.3 0.0 0.0 0.0 0.0 0.0 0.0
11 2540.3 473.2 1411.7 0.0 0.0 0.0 0.0 0.0 0.0
11 2132.6 464.8 831.7 0.0 0.0 0.0 0.0 0.0 0.0
12 2533.4 466.4 1411.8 0.0 0.0 0.0 0.0 0.0 0.0
12 2132.6 464.8 822.6 0.0 0.0 0.0 0.0 0.0 0.0
13 2508.2 457.8 1410.4 0.0 0.0 0.0 0.0 0.0 0.0
13 2132.6 464.7 835.1 0.0 0.0 0.0 0.0 0.0 0.0
14 2492.9 450.3 1409.6 0.0 0.0 0.0 0.0 0.0 0.0
14 2132.6 464.7 840.6 0.0 0.0 0.0 0.0 0.0 0.0
15 2522.9 454.1 1428.5 0.0 0.0 0.0 0.0 0.0 0.0
15 2132.6 464.8 847.6 0.0 0.0 0.0 0.0 0.0 0.0
16 2524.0 460.5 1436.1 0.0 0.0 0.0 0.0 0.0 0.0
16 2132.6 464.7 850.8 0.0 0.0 0.0 0.0 0.0 0.0
17 2206.7 413.3 1405.3 0.0 0.0 0.0 0.0 0.0 0.0
17 2132.7 417.3 820.0 0.0 0.0 0.0 0.0 0.0 0.0
18 2440.6 428.0 1406.0 0.0 0.0 0.0 0.0 0.0 0.0
18 2132.7 418.7 827.2 0.0 0.0 0.0 0.0 0.0 0.0
19 2444.6 433.1 1406.7 0.0 0.0 0.0 0.0 0.0 0.0
19 2132.7 418.8 831.6 0.0 0.0 0.0 0.0 0.0 0.0
20 2434.0 429.2 1405.8 0.0 0.0 0.0 0.0 0.0 0.0
20 2132.7 418.5 828.5 0.0 0.0 0.0 0.0 0.0 0.0
21 2433.3 426.7 1399.2 0.0 0.0 0.0 0.0 0.0 0.0
21 2132.7 418.8 829.9 0.0 0.0 0.0 0.0 0.0 0.0
22 2444.1 410.7 1429.4 0.0 0.0 0.0 0.0 0.0 0.0
22 2132.7 418.7 837.9 0.0 0.0 0.0 0.0 0.0 0.0
23 2438.2 409.9 1425.7 0.0 0.0 0.0 0.0 0.0 0.0
23 2132.7 418.9 839.5 0.0 0.0 0.0 0.0 0.0 0.0
24 2451.3 420.5 1434.9 0.0 0.0 0.0 0.0 0.0 0.0
24 2132.7 418.9 854.7 0.0 0.0 0.0 0.0 0.0 0.0
25 2411.7 483.8 1366.8 0.0 0.0 0.0 0.0 0.0 0.0
25 2132.6 490.7 797.2 0.0 0.0 0.0 0.0 0.0 0.0
26 2558.6 502.6 1364.0 0.0 0.0 0.0 0.0 0.0 0.0
26 2132.6 492.2 803.7 0.0 0.0 0.0 0.0 0.0 0.0
27 2542.0 499.4 1362.4 0.0 0.0 0.0 0.0 0.0 0.0
27 2132.6 492.1 806.1 0.0 0.0 0.0 0.0 0.0 0.0
28 2543.9 491.4 1364.0 0.0 0.0 0.0 0.0 0.0 0.0
28 2132.6 492.3 800.4 0.0 0.0 0.0 0.0 0.0 0.0
29 2479.3 476.8 1361.6 0.0 0.0 0.0 0.0 0.0 0.0
29 2132.6 492.2 811.4 0.0 0.0 0.0 0.0 0.0 0.0
30 2472.8 470.6 1356.5 0.0 0.0 0.0 0.0 0.0 0.0
30 2132.6 492.1 812.1 0.0 0.0 0.0 0.0 0.0 0.0
31 2506.2 475.6 1387.2 0.0 0.0 0.0 0.0 0.0 0.0
31 2132.6 492.3 820.1 0.0 0.0 0.0 0.0 0.0 0.0
32 2532.2 483.8 1387.3 0.0 0.0 0.0 0.0 0.0 0.0
32 2132.6 492.4 833.6 0.0 0.0 0.0 0.0 0.0 0.0
33 2204.9 450.1 1365.3 0.0 0.0 0.0 0.0 0.0 0.0
33 2132.6 453.6 794.0 0.0 0.0 0.0 0.0 0.0 0.0
34 2441.4 461.9 1372.0 0.0 0.0 0.0 0.0 0.0 0.0
34 2132.6 454.6 796.1 0.0 0.0 0.0 0.0 0.0 0.0
35 2436.1 467.7 1364.3 0.0 0.0 0.0 0.0 0.0 0.0
35 2132.6 454.5 800.3 0.0 0.0 0.0 0.0 0.0 0.0
36 2439.2 462.5 1374.6 0.0 0.0 0.0 0.0 0.0 0.0
36 2132.6 454.7 803.8 0.0 0.0 0.0 0.0 0.0 0.0
37 2434.1 460.5 1371.5 0.0 0.0 0.0 0.0 0.0 0.0
37 2132.6 454.6 803.9 0.0 0.0 0.0 0.0 0.0 0.0
38 2406.0 440.9 1366.0 0.0 0.0 0.0 0.0 0.0 0.0
38 2132.6 454.6 809.7 0.0 0.0 0.0 0.0 0.0 0.0
39 2431.7 443.4 1391.1 0.0 0.0 0.0 0.0 0.0 0.0
39 2132.6 454.7 816.4 0.0 0.0 0.0 0.0 0.0 0.0
40 2441.7 454.0 1397.1 0.0 0.0 0.0 0.0 0.0 0.0
40 2132.6 454.7 828.8 0.0 0.0 0.0 0.0 0.0 0.0
41 2440.1 476.2 1380.7 0.0 0.0 0.0 0.0 0.0 0.0
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926 2132.7 419.3 832.6 0.0 0.0 0.0 0.0 0.0 0.0
927 2427.2 411.2 1413.7 0.0 0.0 0.0 0.0 0.0 0.0
927 2132.7 419.3 844.3 0.0 0.0 0.0 0.0 0.0 0.0
928 2448.2 423.5 1420.2 0.0 0.0 0.0 0.0 0.0 0.0
928 2132.7 419.4 843.1 0.0 0.0 0.0 0.0 0.0 0.0
929 2202.1 435.8 1373.0 0.0 0.0 0.0 0.0 0.0 0.0
929 2132.6 441.3 796.3 0.0 0.0 0.0 0.0 0.0 0.0
930 2429.5 447.5 1372.7 0.0 0.0 0.0 0.0 0.0 0.0
930 2132.6 442.4 803.8 0.0 0.0 0.0 0.0 0.0 0.0
931 2433.5 451.5 1374.3 0.0 0.0 0.0 0.0 0.0 0.0
931 2132.6 442.4 806.8 0.0 0.0 0.0 0.0 0.0 0.0
932 2425.1 447.0 1370.8 0.0 0.0 0.0 0.0 0.0 0.0
932 2132.6 442.4 804.6 0.0 0.0 0.0 0.0 0.0 0.0
933 2429.9 446.3 1379.5 0.0 0.0 0.0 0.0 0.0 0.0
933 2132.6 442.3 813.0 0.0 0.0 0.0 0.0 0.0 0.0
934 2417.8 428.5 1387.2 0.0 0.0 0.0 0.0 0.0 0.0
934 2132.6 442.3 816.2 0.0 0.0 0.0 0.0 0.0 0.0
935 2416.6 427.7 1386.3 0.0 0.0 0.0 0.0 0.0 0.0
935 2132.6 442.3 815.8 0.0 0.0 0.0 0.0 0.0 0.0
936 2434.2 437.8 1397.6 0.0 0.0 0.0 0.0 0.0 0.0
936 2132.6 442.4 829.6 0.0 0.0 0.0 0.0 0.0 0.0
937 2208.2 427.2 1391.2 0.0 0.0 0.0 0.0 0.0 0.0
937 2132.7 432.2 808.7 0.0 0.0 0.0 0.0 0.0 0.0
938 2458.1 443.7 1404.9 0.0 0.0 0.0 0.0 0.0 0.0
938 2132.7 433.5 811.5 0.0 0.0 0.0 0.0 0.0 0.0
939 2427.9 444.7 1375.9 0.0 0.0 0.0 0.0 0.0 0.0
939 2132.7 433.4 814.5 0.0 0.0 0.0 0.0 0.0 0.0
940 2421.2 439.8 1378.5 0.0 0.0 0.0 0.0 0.0 0.0
940 2132.7 433.5 818.6 0.0 0.0 0.0 0.0 0.0 0.0
941 2420.1 432.7 1382.0 0.0 0.0 0.0 0.0 0.0 0.0
941 2132.7 433.4 817.8 0.0 0.0 0.0 0.0 0.0 0.0
942 2401.7 422.2 1378.4 0.0 0.0 0.0 0.0 0.0 0.0
942 2132.7 433.4 825.8 0.0 0.0 0.0 0.0 0.0 0.0
943 2427.5 423.4 1403.3 0.0 0.0 0.0 0.0 0.0 0.0
943 2132.7 433.4 826.0 0.0 0.0 0.0 0.0 0.0 0.0
944 2451.5 430.3 1424.5 0.0 0.0 0.0 0.0 0.0 0.0
944 2132.7 433.5 843.4 0.0 0.0 0.0 0.0 0.0 0.0
945 2217.5 419.8 1410.9 0.0 0.0 0.0 0.0 0.0 0.0
945 2132.6 420.1 821.2 0.0 0.0 0.0 0.0 0.0 0.0
946 2456.7 433.7 1414.9 0.0 0.0 0.0 0.0 0.0 0.0
946 2132.6 421.4 827.8 0.0 0.0 0.0 0.0 0.0 0.0
947 2441.1 431.8 1404.7 0.0 0.0 0.0 0.0 0.0 0.0
947 2132.6 421.5 829.6 0.0 0.0 0.0 0.0 0.0 0.0
948 2441.1 423.5 1410.8 0.0 0.0 0.0 0.0 0.0 0.0
948 2132.6 421.6 827.7 0.0 0.0 0.0 0.0 0.0 0.0
949 2432.4 417.1 1410.8 0.0 0.0 0.0 0.0 0.0 0.0
949 2132.6 421.5 831.9 0.0 0.0 0.0 0.0 0.0 0.0
950 2415.2 411.8 1398.9 0.0 0.0 0.0 0.0 0.0 0.0
950 2132.6 421.6 833.6 0.0 0.0 0.0 0.0 0.0 0.0
951 2454.7 416.0 1437.9 0.0 0.0 0.0 0.0 0.0 0.0
951 2132.6 421.5 842.0 0.0 0.0 0.0 0.0 0.0 0.0
952 2443.5 418.0 1432.2 0.0 0.0 0.0 0.0 0.0 0.0
952 2132.6 421.5 857.7 0.0 0.0 0.0 0.0 0.0 0.0
953 2133.8 602.5 1152.6 0.0 0.0 0.0 0.0 0.0 0.0
953 2132.6 591.6 661.8 0.0 0.0 0.0 0.0 0.0 0.0
954 2326.8 574.4 1152.0 0.0 0.0 0.0 0.0 0.0 0.0
954 2132.6 592.3 665.2 0.0 0.0 0.0 0.0 0.0 0.0
955 2316.7 558.8 1157.6 0.0 0.0 0.0 0.0 0.0 0.0
955 2132.6 592.3 666.3 0.0 0.0 0.0 0.0 0.0 0.0
956 2312.8 567.1 1147.0 0.0 0.0 0.0 0.0 0.0 0.0
956 2132.6 592.3 667.3 0.0 0.0 0.0 0.0 0.0 0.0
957 2353.8 593.8 1161.1 0.0 0.0 0.0 0.0 0.0 0.0
957 2132.6 592.3 670.2 0.0 0.0 0.0 0.0 0.0 0.0
958 2340.6 599.4 1144.5 0.0 0.0 0.0 0.0 0.0 0.0
958 2132.6 592.5 675.8 0.0 0.0 0.0 0.0 0.0 0.0
959 2308.5 560.2 1155.1 0.0 0.0 0.0 0.0 0.0 0.0
959 2132.6 592.5 683.4 0.0 0.0 0.0 0.0 0.0 0.0
960 2311.0 556.3 1163.7 0.0 0.0 0.0 0.0 0.0 0.0
960 2132.6 592.4 684.2 0.0 0.0 0.0 0.0 0.0 0.0
961 2215.2 416.1 1413.0 0.0 0.0 0.0 0.0 0.0 0.0
961 2132.7 419.4 825.1 0.0 0.0 0.0 0.0 0.0 0.0
962 2446.5 430.4 1414.1 0.0 0.0 0.0 0.0 0.0 0.0
962 2132.7 420.4 829.0 0.0 0.0 0.0 0.0 0.0 0.0
963 2443.5 433.9 1406.1 0.0 0.0 0.0 0.0 0.0 0.0
963 2132.7 420.5 831.4 0.0 0.0 0.0 0.0 0.0 0.0
964 2457.7 431.7 1422.4 0.0 0.0 0.0 0.0 0.0 0.0
964 2132.7 420.5 832.6 0.0 0.0 0.0 0.0 0.0 0.0
965 2436.0 432.3 1401.6 0.0 0.0 0.0 0.0 0.0 0.0
965 2132.7 420.5 837.9 0.0 0.0 0.0 0.0 0.0 0.0
966 2414.2 412.3 1400.4 0.0 0.0 0.0 0.0 0.0 0.0
966 2132.7 420.5 840.2 0.0 0.0 0.0 0.0 0.0 0.0
967 2447.9 412.6 1437.4 0.0 0.0 0.0 0.0 0.0 0.0
967 2132.7 420.4 846.8 0.0 0.0 0.0 0.0 0.0 0.0
968 2447.8 425.1 1430.2 0.0 0.0 0.0 0.0 0.0 0.0
968 2132.7 420.5 859.9 0.0 0.0 0.0 0.0 0.0 0.0
969 2195.3 436.5 1372.5 0.0 0.0 0.0 0.0 0.0 0.0
969 2132.7 437.5 800.6 0.0 0.0 0.0 0.0 0.0 0.0
970 2433.6 449.9 1371.7 0.0 0.0 0.0 0.0 0.0 0.0
970 2132.7 438.6 805.8 0.0 0.0 0.0 0.0 0.0 0.0
971 2440.1 449.8 1382.1 0.0 0.0 0.0 0.0 0.0 0.0
971 2132.7 438.6 809.6 0.0 0.0 0.0 0.0 0.0 0.0
972 2416.5 436.9 1374.4 0.0 0.0 0.0 0.0 0.0 0.0
972 2132.7 438.6 809.5 0.0 0.0 0.0 0.0 0.0 0.0
973 2405.1 432.0 1365.7 0.0 0.0 0.0 0.0 0.0 0.0
973 2132.7 438.6 810.6 0.0 0.0 0.0 0.0 0.0 0.0
974 2410.4 424.7 1382.6 0.0 0.0 0.0 0.0 0.0 0.0
974 2132.7 438.6 819.1 0.0 0.0 0.0 0.0 0.0 0.0
975 2430.3 429.2 1399.5 0.0 0.0 0.0 0.0 0.0 0.0
975 2132.7 438.7 823.8 0.0 0.0 0.0 0.0 0.0 0.0
976 2426.4 434.0 1397.6 0.0 0.0 0.0 0.0 0.0 0.0
976 2132.7 438.8 834.7 0.0 0.0 0.0 0.0 0.0 0.0
977 2192.9 435.7 1367.9 0.0 0.0 0.0 0.0 0.0 0.0
977 2132.6 440.1 797.3 0.0 0.0 0.0 0.0 0.0 0.0
978 2427.0 451.6 1366.9 0.0 0.0 0.0 0.0 0.0 0.0
978 2132.6 441.5 801.6 0.0 0.0 0.0 0.0 0.0 0.0
979 2432.8 453.2 1369.5 0.0 0.0 0.0 0.0 0.0 0.0
979 2132.6 441.6 802.2 0.0 0.0 0.0 0.0 0.0 0.0
980 2429.5 451.6 1369.6 0.0 0.0 0.0 0.0 0.0 0.0
980 2132.6 441.7 807.4 0.0 0.0 0.0 0.0 0.0 0.0
981 2428.0 443.3 1376.1 0.0 0.0 0.0 0.0 0.0 0.0
981 2132.6 441.6 805.2 0.0 0.0 0.0 0.0 0.0 0.0
982 2405.6 430.1 1371.0 0.0 0.0 0.0 0.0 0.0 0.0
982 2132.6 441.7 813.4 0.0 0.0 0.0 0.0 0.0 0.0
983 2425.2 429.0 1393.0 0.0 0.0 0.0 0.0 0.0 0.0
983 2132.6 441.7 813.9 0.0 0.0 0.0 0.0 0.0 0.0
984 2435.7 438.5 1401.7 0.0 0.0 0.0 0.0 0.0 0.0
984 2132.6 441.7 835.0 0.0 0.0 0.0 0.0 0.0 0.0
985 2192.5 420.1 1375.9 0.0 0.0 0.0 0.0 0.0 0.0
985 2132.7 423.1 808.6 0.0 0.0 0.0 0.0 0.0 0.0
986 2421.5 432.2 1375.0 0.0 0.0 0.0 0.0 0.0 0.0
986 2132.7 424.4 815.9 0.0 0.0 0.0 0.0 0.0 0.0
987 2410.5 436.0 1365.1 0.0 0.0 0.0 0.0 0.0 0.0
987 2132.7 424.5 821.4 0.0 0.0 0.0 0.0 0.0 0.0
988 2408.6 424.7 1370.1 0.0 0.0 0.0 0.0 0.0 0.0
988 2132.7 424.5 814.6 0.0 0.0 0.0 0.0 0.0 0.0
989 2409.5 421.7 1375.2 0.0 0.0 0.0 0.0 0.0 0.0
989 2132.7 424.5 818.4 0.0 0.0 0.0 0.0 0.0 0.0
990 2387.8 410.3 1369.0 0.0 0.0 0.0 0.0 0.0 0.0
990 2132.7 424.5 827.1 0.0 0.0 0.0 0.0 0.0 0.0
991 2413.9 417.7 1391.4 0.0 0.0 0.0 0.0 0.0 0.0
991 2132.7 424.6 833.0 0.0 0.0 0.0 0.0 0.0 0.0
992 2415.3 422.2 1398.4 0.0 0.0 0.0 0.0 0.0 0.0
992 2132.7 424.6 841.7 0.0 0.0 0.0 0.0 0.0 0.0
993 2217.0 419.2 1409.1 0.0 0.0 0.0 0.0 0.0 0.0
993 2132.6 424.5 818.8 0.0 0.0 0.0 0.0 0.0 0.0
994 2448.4 436.0 1407.3 0.0 0.0 0.0 0.0 0.0 0.0
994 2132.6 425.8 826.2 0.0 0.0 0.0 0.0 0.0 0.0
995 2448.1 436.9 1407.5 0.0 0.0 0.0 0.0 0.0 0.0
995 2132.6 425.8 827.4 0.0 0.0 0.0 0.0 0.0 0.0
996 2469.8 428.6 1438.4 0.0 0.0 0.0 0.0 0.0 0.0
996 2132.6 425.9 824.2 0.0 0.0 0.0 0.0 0.0 0.0
997 2423.3 420.9 1404.5 0.0 0.0 0.0 0.0 0.0 0.0
997 2132.6 425.8 828.6 0.0 0.0 0.0 0.0 0.0 0.0
998 2422.2 413.8 1410.3 0.0 0.0 0.0 0.0 0.0 0.0
998 2132.6 425.7 837.6 0.0 0.0 0.0 0.0 0.0 0.0
999 2436.1 418.0 1421.9 0.0 0.0 0.0 0.0 0.0 0.0
999 2132.6 425.8 843.7 0.0 0.0 0.0 0.0 0.0 0.0
1000 2439.3 423.1 1425.1 0.0 0.0 0.0 0.0 0.0 0.0
1000 2132.6 425.9 857.9 0.0 0.0 0.0 0.0 0.0 0.0
1001 2202.8 412.7 1400.7 0.0 0.0 0.0 0.0 0.0 0.0
1001 2132.6 416.1 818.8 0.0 0.0 0.0 0.0 0.0 0.0
1002 2442.6 427.4 1403.4 0.0 0.0 0.0 0.0 0.0 0.0
1002 2132.6 416.9 827.2 0.0 0.0 0.0 0.0 0.0 0.0
1003 2427.6 428.9 1389.6 0.0 0.0 0.0 0.0 0.0 0.0
1003 2132.6 416.8 829.8 0.0 0.0 0.0 0.0 0.0 0.0
1004 2431.3 423.3 1396.4 0.0 0.0 0.0 0.0 0.0 0.0
1004 2132.6 417.0 829.1 0.0 0.0 0.0 0.0 0.0 0.0
1005 2418.2 417.2 1393.6 0.0 0.0 0.0 0.0 0.0 0.0
1005 2132.6 417.0 833.2 0.0 0.0 0.0 0.0 0.0 0.0
1006 2405.6 404.9 1396.0 0.0 0.0 0.0 0.0 0.0 0.0
1006 2132.6 416.8 839.8 0.0 0.0 0.0 0.0 0.0 0.0
1007 2457.6 410.3 1448.2 0.0 0.0 0.0 0.0 0.0 0.0
1007 2132.6 416.9 851.1 0.0 0.0 0.0 0.0 0.0 0.0
1008 2441.8 417.0 1422.3 0.0 0.0 0.0 0.0 0.0 0.0
1008 2132.6 416.9 838.6 0.0 0.0 0.0 0.0 0.0 0.0
1009 2196.9 421.2 1390.4 0.0 0.0 0.0 0.0 0.0 0.0
1009 2132.7 420.8 817.0 0.0 0.0 0.0 0.0 0.0 0.0
1010 2429.6 433.4 1389.7 0.0 0.0 0.0 0.0 0.0 0.0
1010 2132.7 421.6 824.0 0.0 0.0 0.0 0.0 0.0 0.0
1011 2422.1 430.0 1384.5 0.0 0.0 0.0 0.0 0.0 0.0
1011 2132.7 421.4 826.2 0.0 0.0 0.0 0.0 0.0 0.0
1012 2399.7 420.5 1389.0 0.0 0.0 0.0 0.0 0.0 0.0
1012 2132.7 421.6 825.3 0.0 0.0 0.0 0.0 0.0 0.0
1013 2413.2 418.3 1387.7 0.0 0.0 0.0 0.0 0.0 0.0
1013 2132.7 421.6 832.6 0.0 0.0 0.0 0.0 0.0 0.0
1014 2397.4 409.2 1385.5 0.0 0.0 0.0 0.0 0.0 0.0
1014 2132.7 421.4 837.0 0.0 0.0 0.0 0.0 0.0 0.0
1015 2422.1 414.8 1409.7 0.0 0.0 0.0 0.0 0.0 0.0
1015 2132.7 421.5 833.0 0.0 0.0 0.0 0.0 0.0 0.0
1016 2434.9 419.2 1423.8 0.0 0.0 0.0 0.0 0.0 0.0
1016 2132.7 421.6 857.6 0.0 0.0 0.0 0.0 0.0 0.0
1017 2231.2 424.6 1415.0 0.0 0.0 0.0 0.0 0.0 0.0
1017 2132.6 428.9 812.1 0.0 0.0 0.0 0.0 0.0 0.0
1018 2454.6 439.5 1406.6 0.0 0.0 0.0 0.0 0.0 0.0
1018 2132.6 430.2 818.2 0.0 0.0 0.0 0.0 0.0 0.0
1019 2451.8 444.3 1399.2 0.0 0.0 0.0 0.0 0.0 0.0
1019 2132.6 430.4 821.9 0.0 0.0 0.0 0.0 0.0 0.0
1020 2446.9 438.1 1399.9 0.0 0.0 0.0 0.0 0.0 0.0
1020 2132.6 430.3 817.7 0.0 0.0 0.0 0.0 0.0 0.0
1021 2464.1 433.1 1424.7 0.0 0.0 0.0 0.0 0.0 0.0
1021 2132.6 430.4 822.9 0.0 0.0 0.0 0.0 0.0 0.0
1022 2437.0 419.3 1411.3 0.0 0.0 0.0 0.0 0.0 0.0
1022 2132.6 430.4 827.3 0.0 0.0 0.0 0.0 0.0 0.0
1023 2453.2 426.3 1421.8 0.0 0.0 0.0 0.0 0.0 0.0
1023 2132.6 430.4 830.8 0.0 0.0 0.0 0.0 0.0 0.0
1024 2460.6 433.3 1429.1 0.0 0.0 0.0 0.0 0.0 0.0
1024 2132.6 430.4 842.0 0.0 0.0 0.0 0.0 0.0 0.0
averaged 2409.0 434.7 1394.5 0.0 0.0 0.0 0.0 0.0 0.0
averaged 2132.7 435.0 821.4 0.0 0.0 0.0 0.0 0.0 0.0
FMO timing statistics in pairs (CPU,wall) for each rank, sec
Rank FMOini FMOscf1 FMOdm1 FMOsyn1 FMOscf2 FMOes2 FMOsyn2 FMOscf3 FMOsyn3
-------------------------------------------------------------------------------
1 5.9 784.7 3.0 0.0 1847.7 0.0 4.9 0.0 0.0
1 11.9 800.2 7.5 0.0 1293.8 0.0 11.7 0.0 0.0
2 6.0 812.9 3.0 0.0 1886.1 0.0 8.1 0.0 0.0
2 11.9 800.2 7.5 0.0 1293.8 0.0 11.7 0.0 0.0
3 6.0 792.2 3.1 0.0 1844.4 0.0 8.1 0.0 0.0
3 11.9 800.2 7.5 0.0 1293.8 0.0 11.7 0.0 0.0
4 6.0 704.9 3.1 0.0 1832.9 0.0 8.1 0.0 0.0
4 11.9 800.2 7.5 0.0 1293.8 0.0 11.7 0.0 0.0
5 6.0 706.6 3.1 0.0 1827.8 0.0 8.1 0.0 0.0
5 11.9 800.2 7.5 0.0 1293.8 0.0 11.7 0.0 0.0
6 6.0 736.3 3.0 0.0 1813.4 0.0 8.1 0.0 0.0
6 11.9 800.2 7.5 0.0 1293.8 0.0 11.7 0.0 0.0
7 6.0 712.0 3.1 0.0 1844.0 0.0 8.1 0.0 0.0
7 11.9 800.2 7.5 0.0 1293.8 0.0 11.7 0.0 0.0
8 6.0 745.8 3.1 0.0 1845.9 0.0 8.1 0.0 0.0
8 11.9 800.2 7.5 0.0 1293.8 0.0 11.7 0.0 0.0
9 5.8 453.9 3.0 150.1 1860.6 0.0 2.5 0.0 0.0
9 11.9 446.0 7.5 354.1 1299.7 0.0 5.8 0.0 0.0
10 6.0 422.9 3.1 245.3 1905.8 0.0 4.0 0.0 0.0
10 11.9 446.0 7.5 354.1 1299.7 0.0 5.8 0.0 0.0
11 6.0 406.4 3.1 246.3 1871.7 0.0 4.0 0.0 0.0
11 11.9 446.0 7.5 354.1 1299.7 0.0 5.8 0.0 0.0
12 6.0 400.6 3.1 246.8 1870.1 0.0 4.0 0.0 0.0
12 11.9 446.0 7.5 354.1 1299.7 0.0 5.8 0.0 0.0
13 5.9 392.2 3.0 246.3 1853.8 0.0 4.0 0.0 0.0
13 11.9 446.0 7.5 354.1 1299.7 0.0 5.8 0.0 0.0
14 5.9 387.6 3.1 245.5 1843.8 0.0 4.0 0.0 0.0
14 11.9 446.0 7.5 354.1 1299.7 0.0 5.8 0.0 0.0
15 6.0 397.1 3.1 246.0 1863.9 0.0 4.0 0.0 0.0
15 11.9 446.0 7.5 354.1 1299.7 0.0 5.8 0.0 0.0
16 6.0 387.2 3.1 244.7 1876.1 0.0 4.0 0.0 0.0
16 11.9 446.0 7.5 354.1 1299.7 0.0 5.8 0.0 0.0
17 5.8 9.8 3.0 333.4 1847.6 0.0 3.9 0.0 0.0
17 11.9 8.6 7.5 791.6 1296.4 0.0 9.1 0.0 0.0
18 6.0 10.7 3.1 548.5 1863.2 0.0 6.3 0.0 0.0
18 11.9 8.6 7.5 791.6 1296.4 0.0 9.1 0.0 0.0
19 6.0 10.7 3.1 548.9 1866.8 0.0 6.3 0.0 0.0
19 11.9 8.6 7.5 791.6 1296.4 0.0 9.1 0.0 0.0
20 5.9 10.7 3.0 542.5 1863.0 0.0 6.3 0.0 0.0
20 11.9 8.6 7.5 791.6 1296.4 0.0 9.1 0.0 0.0
21 6.0 10.5 3.1 550.5 1854.0 0.0 6.3 0.0 0.0
21 11.9 8.6 7.5 791.6 1296.4 0.0 9.1 0.0 0.0
22 6.0 10.7 3.1 550.8 1864.5 0.0 6.3 0.0 0.0
22 11.9 8.6 7.5 791.6 1296.4 0.0 9.1 0.0 0.0
23 6.0 10.8 3.1 549.9 1859.3 0.0 6.3 0.0 0.0
23 11.9 8.6 7.5 791.6 1296.4 0.0 9.1 0.0 0.0
24 6.0 10.7 3.1 550.0 1872.3 0.0 6.3 0.0 0.0
24 11.9 8.6 7.5 791.6 1296.4 0.0 9.1 0.0 0.0
25 5.9 407.2 3.1 154.5 1835.4 0.0 2.5 0.0 0.0
25 11.9 436.3 7.5 363.9 1299.7 0.0 5.8 0.0 0.0
26 6.0 441.8 3.1 251.9 1849.1 0.0 4.0 0.0 0.0
26 11.9 436.3 7.5 363.9 1299.7 0.0 5.8 0.0 0.0
27 6.0 429.6 3.1 251.7 1844.8 0.0 4.0 0.0 0.0
27 11.9 436.3 7.5 363.9 1299.7 0.0 5.8 0.0 0.0
28 6.0 435.8 3.1 252.3 1839.9 0.0 4.0 0.0 0.0
28 11.9 436.3 7.5 363.9 1299.7 0.0 5.8 0.0 0.0
29 6.0 388.2 3.1 253.3 1822.0 0.0 4.0 0.0 0.0
29 11.9 436.3 7.5 363.9 1299.7 0.0 5.8 0.0 0.0
30 6.0 393.4 3.1 252.9 1810.7 0.0 4.0 0.0 0.0
30 11.9 436.3 7.5 363.9 1299.7 0.0 5.8 0.0 0.0
31 6.0 396.4 3.1 251.7 1842.2 0.0 4.0 0.0 0.0
31 11.9 436.3 7.5 363.9 1299.7 0.0 5.8 0.0 0.0
32 6.0 421.5 3.1 253.2 1841.6 0.0 4.0 0.0 0.0
32 11.9 436.3 7.5 363.9 1299.7 0.0 5.8 0.0 0.0
33 5.9 20.1 3.1 330.6 1839.6 0.0 2.5 0.0 0.0
33 11.9 18.4 7.5 781.7 1299.7 0.0 5.8 0.0 0.0
34 6.0 21.4 3.0 544.0 1860.2 0.0 4.0 0.0 0.0
34 11.9 18.4 7.5 781.7 1299.7 0.0 5.8 0.0 0.0
35 6.0 21.4 3.1 542.4 1856.5 0.0 4.0 0.0 0.0
35 11.9 18.4 7.5 781.7 1299.7 0.0 5.8 0.0 0.0
36 6.0 21.1 3.1 542.1 1860.1 0.0 4.0 0.0 0.0
36 11.9 18.4 7.5 781.7 1299.7 0.0 5.8 0.0 0.0
37 6.0 21.3 3.1 542.0 1854.9 0.0 4.0 0.0 0.0
37 11.9 18.4 7.5 781.7 1299.7 0.0 5.8 0.0 0.0
38 6.0 21.3 3.1 541.7 1827.2 0.0 4.0 0.0 0.0
38 11.9 18.4 7.5 781.7 1299.7 0.0 5.8 0.0 0.0
39 6.0 21.3 3.1 542.7 1851.9 0.0 4.0 0.0 0.0
39 11.9 18.4 7.5 781.7 1299.7 0.0 5.8 0.0 0.0
40 5.9 21.4 3.0 541.7 1863.0 0.0 4.0 0.0 0.0
40 11.9 18.4 7.5 781.7 1299.7 0.0 5.8 0.0 0.0
41 5.9 435.8 3.1 141.9 1845.3 0.0 4.9 0.0 0.0
41 11.9 465.9 7.5 334.3 1293.9 0.0 11.6 0.0 0.0
42 6.0 474.0 3.1 232.0 1861.3 0.0 8.0 0.0 0.0
42 11.9 465.9 7.5 334.3 1293.9 0.0 11.6 0.0 0.0
43 6.0 464.2 3.0 232.3 1851.3 0.0 8.1 0.0 0.0
43 11.9 465.9 7.5 334.3 1293.9 0.0 11.6 0.0 0.0
44 6.0 463.8 3.1 232.9 1864.5 0.0 8.1 0.0 0.0
44 11.9 465.9 7.5 334.3 1293.9 0.0 11.6 0.0 0.0
45 6.0 435.6 3.0 229.2 1836.6 0.0 8.0 0.0 0.0
45 11.9 465.9 7.5 334.3 1293.9 0.0 11.6 0.0 0.0
46 6.0 426.9 3.1 232.4 1832.4 0.0 8.1 0.0 0.0
46 11.9 465.9 7.5 334.3 1293.9 0.0 11.6 0.0 0.0
47 5.9 418.8 3.0 231.4 1847.3 0.0 8.1 0.0 0.0
47 11.9 465.9 7.5 334.3 1293.9 0.0 11.6 0.0 0.0
48 6.0 461.5 3.1 234.1 1867.6 0.0 8.1 0.0 0.0
48 11.9 465.9 7.5 334.3 1293.9 0.0 11.6 0.0 0.0
49 5.9 19.5 3.0 331.4 1852.5 0.0 3.7 0.0 0.0
49 11.9 17.9 7.5 782.3 1296.7 0.0 8.8 0.0 0.0
50 6.0 20.5 3.1 545.6 1863.6 0.0 6.1 0.0 0.0
50 11.9 17.9 7.5 782.3 1296.7 0.0 8.8 0.0 0.0
51 6.0 20.7 3.1 541.0 1868.3 0.0 6.1 0.0 0.0
51 11.9 17.9 7.5 782.3 1296.7 0.0 8.8 0.0 0.0
52 6.0 20.6 3.1 544.2 1881.0 0.0 6.1 0.0 0.0
52 11.9 17.9 7.5 782.3 1296.7 0.0 8.8 0.0 0.0
53 6.0 20.6 3.1 543.9 1855.7 0.0 6.1 0.0 0.0
53 11.9 17.9 7.5 782.3 1296.7 0.0 8.8 0.0 0.0
54 6.0 20.4 3.1 544.7 1854.3 0.0 6.1 0.0 0.0
54 11.9 17.9 7.5 782.3 1296.7 0.0 8.8 0.0 0.0
55 6.0 20.7 3.1 543.9 1858.7 0.0 6.1 0.0 0.0
55 11.9 17.9 7.5 782.3 1296.7 0.0 8.8 0.0 0.0
56 6.0 20.5 3.1 545.0 1873.0 0.0 6.1 0.0 0.0
56 11.9 17.9 7.5 782.3 1296.7 0.0 8.8 0.0 0.0
57 5.9 19.3 3.1 333.5 1855.0 0.0 2.8 0.0 0.0
57 11.9 16.8 7.5 783.4 1299.0 0.0 6.5 0.0 0.0
58 6.0 19.4 3.1 546.4 1873.1 0.0 4.5 0.0 0.0
58 11.9 16.8 7.5 783.4 1299.0 0.0 6.5 0.0 0.0
59 6.0 19.3 3.1 543.8 1884.4 0.0 4.6 0.0 0.0
59 11.9 16.8 7.5 783.4 1299.0 0.0 6.5 0.0 0.0
60 6.0 19.4 3.1 543.3 1859.9 0.0 4.5 0.0 0.0
60 11.9 16.8 7.5 783.4 1299.0 0.0 6.5 0.0 0.0
61 6.0 19.5 3.1 543.5 1845.4 0.0 4.6 0.0 0.0
61 11.9 16.8 7.5 783.4 1299.0 0.0 6.5 0.0 0.0
62 6.0 19.2 3.1 545.1 1837.6 0.0 4.5 0.0 0.0
62 11.9 16.8 7.5 783.4 1299.0 0.0 6.5 0.0 0.0
63 6.0 19.4 3.1 543.6 1863.8 0.0 4.5 0.0 0.0
63 11.9 16.8 7.5 783.4 1299.0 0.0 6.5 0.0 0.0
64 5.9 19.4 3.1 545.9 1865.6 0.0 4.6 0.0 0.0
64 11.9 16.8 7.5 783.4 1299.0 0.0 6.5 0.0 0.0
65 5.9 13.2 3.1 331.8 1839.4 0.0 1.8 0.0 0.0
65 11.9 10.8 7.5 789.4 1301.3 0.0 4.2 0.0 0.0
66 6.0 13.2 3.1 543.9 1817.4 0.0 2.9 0.0 0.0
66 11.9 10.8 7.5 789.4 1301.3 0.0 4.2 0.0 0.0
67 6.0 13.1 3.1 547.5 1792.8 0.0 2.9 0.0 0.0
67 11.9 10.8 7.5 789.4 1301.3 0.0 4.2 0.0 0.0
68 6.0 13.4 3.1 545.8 1820.0 0.0 2.9 0.0 0.0
68 11.9 10.8 7.5 789.4 1301.3 0.0 4.2 0.0 0.0
69 5.9 13.1 3.0 542.1 1829.0 0.0 2.8 0.0 0.0
69 11.9 10.8 7.5 789.4 1301.3 0.0 4.2 0.0 0.0
70 6.1 13.1 3.1 551.1 1795.6 0.0 2.9 0.0 0.0
70 11.9 10.8 7.5 789.4 1301.3 0.0 4.2 0.0 0.0
71 6.0 13.2 3.1 547.7 1822.2 0.0 2.9 0.0 0.0
71 11.9 10.8 7.5 789.4 1301.3 0.0 4.2 0.0 0.0
72 6.1 13.1 3.1 548.6 1813.7 0.0 2.9 0.0 0.0
72 11.9 10.8 7.5 789.4 1301.3 0.0 4.2 0.0 0.0
73 5.8 546.2 3.0 92.4 1845.7 0.0 2.5 0.0 0.0
73 11.9 581.6 7.5 218.7 1299.7 0.0 5.8 0.0 0.0
74 6.0 581.0 3.1 151.3 1850.1 0.0 4.1 0.0 0.0
74 11.9 581.6 7.5 218.7 1299.7 0.0 5.8 0.0 0.0
75 6.0 584.9 3.1 151.7 1820.5 0.0 4.1 0.0 0.0
75 11.9 581.6 7.5 218.7 1299.7 0.0 5.8 0.0 0.0
76 6.0 583.8 3.1 151.1 1850.5 0.0 4.1 0.0 0.0
76 11.9 581.6 7.5 218.7 1299.7 0.0 5.8 0.0 0.0
77 6.0 556.6 3.1 151.9 1859.9 0.0 4.0 0.0 0.0
77 11.9 581.6 7.5 218.7 1299.7 0.0 5.8 0.0 0.0
78 6.0 522.6 3.1 151.7 1808.4 0.0 4.1 0.0 0.0
78 11.9 581.6 7.5 218.7 1299.7 0.0 5.8 0.0 0.0
79 6.0 543.6 3.1 151.5 1829.2 0.0 4.1 0.0 0.0
79 11.9 581.6 7.5 218.7 1299.7 0.0 5.8 0.0 0.0
80 6.0 571.5 3.1 150.7 1839.7 0.0 4.1 0.0 0.0
80 11.9 581.6 7.5 218.7 1299.7 0.0 5.8 0.0 0.0
81 5.8 9.4 3.0 335.5 1854.8 0.0 4.1 0.0 0.0
81 11.9 9.0 7.5 791.2 1295.7 0.0 9.9 0.0 0.0
82 5.9 10.6 3.1 545.7 1887.3 0.0 6.8 0.0 0.0
82 11.9 9.0 7.5 791.2 1295.7 0.0 9.9 0.0 0.0
83 5.9 10.9 3.0 543.5 1851.6 0.0 6.9 0.0 0.0
83 11.9 9.0 7.5 791.2 1295.7 0.0 9.9 0.0 0.0
84 5.9 10.6 3.0 545.3 1852.2 0.0 6.8 0.0 0.0
84 11.9 9.0 7.5 791.2 1295.7 0.0 9.9 0.0 0.0
85 6.0 10.6 3.1 543.7 1835.5 0.0 6.9 0.0 0.0
85 11.9 9.0 7.5 791.2 1295.7 0.0 9.9 0.0 0.0
86 6.0 10.5 3.1 549.2 1834.5 0.0 6.8 0.0 0.0
86 11.9 9.0 7.5 791.2 1295.7 0.0 9.9 0.0 0.0
87 6.0 10.4 3.1 549.3 1862.1 0.0 6.9 0.0 0.0
87 11.9 9.0 7.5 791.2 1295.7 0.0 9.9 0.0 0.0
88 6.0 10.5 3.1 553.2 1888.0 0.0 6.8 0.0 0.0
88 11.9 9.0 7.5 791.2 1295.7 0.0 9.9 0.0 0.0
89 5.9 20.3 3.0 328.7 1838.7 0.0 4.0 0.0 0.0
89 11.9 17.6 7.5 782.7 1296.2 0.0 9.3 0.0 0.0
90 6.0 20.3 3.0 541.9 1855.4 0.0 6.5 0.0 0.0
90 11.9 17.6 7.5 782.7 1296.2 0.0 9.3 0.0 0.0
91 5.9 20.1 3.1 540.9 1864.5 0.0 6.5 0.0 0.0
91 11.9 17.6 7.5 782.7 1296.2 0.0 9.3 0.0 0.0
92 5.9 20.3 3.0 524.3 1861.4 0.0 6.5 0.0 0.0
92 11.9 17.6 7.5 782.7 1296.2 0.0 9.3 0.0 0.0
93 6.0 20.4 3.0 542.3 1829.8 0.0 6.5 0.0 0.0
93 11.9 17.6 7.5 782.7 1296.2 0.0 9.3 0.0 0.0
94 5.9 20.0 3.0 526.8 1821.2 0.0 6.5 0.0 0.0
94 11.9 17.6 7.5 782.7 1296.2 0.0 9.3 0.0 0.0
95 6.0 20.1 3.0 542.0 1848.9 0.0 6.4 0.0 0.0
95 11.9 17.6 7.5 782.7 1296.2 0.0 9.3 0.0 0.0
96 5.9 19.8 3.0 541.7 1867.2 0.0 6.5 0.0 0.0
96 11.9 17.6 7.5 782.7 1296.2 0.0 9.3 0.0 0.0
97 5.8 19.6 3.0 329.5 1844.0 0.0 4.7 0.0 0.0
97 11.9 18.3 7.5 781.9 1294.3 0.0 11.2 0.0 0.0
98 6.0 20.9 3.1 541.4 1858.1 0.0 7.8 0.0 0.0
98 11.9 18.3 7.5 781.9 1294.3 0.0 11.2 0.0 0.0
99 6.0 20.9 3.1 542.6 1868.4 0.0 7.8 0.0 0.0
99 11.9 18.3 7.5 781.9 1294.3 0.0 11.2 0.0 0.0
100 6.0 20.8 3.1 544.0 1847.9 0.0 7.8 0.0 0.0
100 11.9 18.3 7.5 781.9 1294.3 0.0 11.2 0.0 0.0
101 6.0 20.8 3.0 544.2 1838.7 0.0 7.8 0.0 0.0
101 11.9 18.3 7.5 781.9 1294.3 0.0 11.2 0.0 0.0
102 6.0 20.9 3.0 542.6 1824.5 0.0 7.8 0.0 0.0
102 11.9 18.3 7.5 781.9 1294.3 0.0 11.2 0.0 0.0
103 6.0 20.9 3.1 543.4 1854.4 0.0 7.8 0.0 0.0
103 11.9 18.3 7.5 781.9 1294.3 0.0 11.2 0.0 0.0
104 5.9 20.9 3.1 540.8 1860.0 0.0 7.8 0.0 0.0
104 11.9 18.3 7.5 781.9 1294.3 0.0 11.2 0.0 0.0
105 5.8 20.3 2.9 331.8 1804.6 0.0 4.9 0.0 0.0
105 11.9 17.3 7.5 782.9 1293.9 0.0 11.6 0.0 0.0
106 5.9 20.5 3.0 542.7 1782.5 0.0 8.1 0.0 0.0
106 11.9 17.3 7.5 782.9 1293.9 0.0 11.6 0.0 0.0
107 6.0 20.2 3.1 543.4 1754.7 0.0 8.1 0.0 0.0
107 11.9 17.3 7.5 782.9 1293.9 0.0 11.6 0.0 0.0
108 5.9 20.3 3.0 543.5 1781.1 0.0 8.1 0.0 0.0
108 11.9 17.3 7.5 782.9 1293.9 0.0 11.6 0.0 0.0
109 5.9 20.4 2.9 538.4 1795.5 0.0 8.0 0.0 0.0
109 11.9 17.3 7.5 782.9 1293.9 0.0 11.6 0.0 0.0
110 6.0 20.2 3.0 545.2 1777.1 0.0 8.1 0.0 0.0
110 11.9 17.3 7.5 782.9 1293.9 0.0 11.6 0.0 0.0
111 5.9 20.1 3.0 543.4 1771.4 0.0 8.1 0.0 0.0
111 11.9 17.3 7.5 782.9 1293.9 0.0 11.6 0.0 0.0
112 6.0 20.0 3.0 542.6 1789.4 0.0 8.1 0.0 0.0
112 11.9 17.3 7.5 782.9 1293.9 0.0 11.6 0.0 0.0
113 5.8 19.3 3.0 328.6 1867.6 0.0 2.5 0.0 0.0
113 11.9 17.9 7.5 782.3 1299.7 0.0 5.8 0.0 0.0
114 5.9 20.5 3.0 544.8 1878.2 0.0 4.0 0.0 0.0
114 11.9 17.9 7.5 782.3 1299.7 0.0 5.8 0.0 0.0
115 5.8 20.7 3.0 542.9 1866.0 0.0 4.0 0.0 0.0
115 11.9 17.9 7.5 782.3 1299.7 0.0 5.8 0.0 0.0
116 5.4 20.8 2.6 496.7 1856.3 0.0 4.0 0.0 0.0
116 11.9 17.9 7.5 782.3 1299.7 0.0 5.8 0.0 0.0
117 5.9 20.6 3.0 542.8 1845.4 0.0 4.0 0.0 0.0
117 11.9 17.9 7.5 782.3 1299.7 0.0 5.8 0.0 0.0
118 5.9 20.6 3.0 540.3 1835.9 0.0 4.0 0.0 0.0
118 11.9 17.9 7.5 782.3 1299.7 0.0 5.8 0.0 0.0
119 5.9 20.6 3.0 542.5 1895.6 0.0 4.0 0.0 0.0
119 11.9 17.9 7.5 782.3 1299.7 0.0 5.8 0.0 0.0
120 5.9 20.6 3.0 545.1 1874.6 0.0 4.0 0.0 0.0
120 11.9 17.9 7.5 782.3 1299.7 0.0 5.8 0.0 0.0
121 5.8 10.1 2.9 335.2 1837.2 0.0 3.0 0.0 0.0
121 11.9 9.2 7.5 791.0 1298.4 0.0 7.0 0.0 0.0
122 5.9 11.1 2.9 548.5 1853.0 0.0 4.9 0.0 0.0
122 11.9 9.2 7.5 791.0 1298.4 0.0 7.0 0.0 0.0
123 5.9 11.0 3.0 547.6 1875.3 0.0 4.9 0.0 0.0
123 11.9 9.2 7.5 791.0 1298.4 0.0 7.0 0.0 0.0
124 5.9 10.7 3.0 548.1 1856.1 0.0 4.9 0.0 0.0
124 11.9 9.2 7.5 791.0 1298.4 0.0 7.0 0.0 0.0
125 5.9 11.1 3.0 549.4 1847.2 0.0 4.9 0.0 0.0
125 11.9 9.2 7.5 791.0 1298.4 0.0 7.0 0.0 0.0
126 5.9 11.2 3.0 547.7 1824.8 0.0 4.9 0.0 0.0
126 11.9 9.2 7.5 791.0 1298.4 0.0 7.0 0.0 0.0
127 5.9 11.2 3.0 549.7 1840.6 0.0 4.9 0.0 0.0
127 11.9 9.2 7.5 791.0 1298.4 0.0 7.0 0.0 0.0
128 5.9 11.1 3.0 549.2 1851.1 0.0 4.9 0.0 0.0
128 11.9 9.2 7.5 791.0 1298.4 0.0 7.0 0.0 0.0
129 5.7 9.2 2.9 333.0 1845.8 0.0 3.3 0.0 0.0
129 11.9 8.6 7.5 791.6 1297.6 0.0 7.9 0.0 0.0
130 5.8 10.4 2.9 550.4 1862.8 0.0 5.5 0.0 0.0
130 11.9 8.6 7.5 791.6 1297.6 0.0 7.9 0.0 0.0
131 5.8 10.4 2.9 547.1 1855.6 0.0 5.5 0.0 0.0
131 11.9 8.6 7.5 791.6 1297.6 0.0 7.9 0.0 0.0
132 5.8 10.3 3.0 550.4 1862.0 0.0 5.5 0.0 0.0
132 11.9 8.6 7.5 791.6 1297.6 0.0 7.9 0.0 0.0
133 5.9 10.4 3.0 550.3 1859.6 0.0 5.5 0.0 0.0
133 11.9 8.6 7.5 791.6 1297.6 0.0 7.9 0.0 0.0
134 5.8 10.3 2.9 550.7 1826.1 0.0 5.5 0.0 0.0
134 11.9 8.6 7.5 791.6 1297.6 0.0 7.9 0.0 0.0
135 5.8 10.3 2.9 547.2 1860.7 0.0 5.5 0.0 0.0
135 11.9 8.6 7.5 791.6 1297.6 0.0 7.9 0.0 0.0
136 5.8 10.4 2.9 551.9 1877.4 0.0 5.5 0.0 0.0
136 11.9 8.6 7.5 791.6 1297.6 0.0 7.9 0.0 0.0
137 5.9 9.4 3.0 333.1 1839.8 0.0 4.9 0.0 0.0
137 11.9 8.9 7.5 791.4 1293.9 0.0 11.6 0.0 0.0
138 6.0 10.6 3.1 550.2 1855.3 0.0 8.1 0.0 0.0
138 11.9 8.9 7.5 791.4 1293.9 0.0 11.6 0.0 0.0
139 6.0 10.5 3.0 549.0 1873.0 0.0 8.1 0.0 0.0
139 11.9 8.9 7.5 791.4 1293.9 0.0 11.6 0.0 0.0
140 6.1 10.6 3.1 550.8 1850.0 0.0 8.1 0.0 0.0
140 11.9 8.9 7.5 791.4 1293.9 0.0 11.6 0.0 0.0
141 6.0 10.7 3.0 550.1 1828.3 0.0 8.1 0.0 0.0
141 11.9 8.9 7.5 791.4 1293.9 0.0 11.6 0.0 0.0
142 6.0 10.7 3.0 549.0 1819.4 0.0 8.1 0.0 0.0
142 11.9 8.9 7.5 791.4 1293.9 0.0 11.6 0.0 0.0
143 6.0 10.5 3.0 549.8 1851.4 0.0 8.1 0.0 0.0
143 11.9 8.9 7.5 791.4 1293.9 0.0 11.6 0.0 0.0
144 5.9 10.7 3.0 549.5 1869.8 0.0 8.1 0.0 0.0
144 11.9 8.9 7.5 791.4 1293.9 0.0 11.6 0.0 0.0
145 5.8 9.5 3.0 334.7 1838.3 0.0 3.4 0.0 0.0
145 12.0 9.1 7.5 791.1 1297.5 0.0 8.0 0.0 0.0
146 5.9 10.6 3.0 547.7 1855.5 0.0 5.5 0.0 0.0
146 12.0 9.1 7.5 791.1 1297.5 0.0 8.0 0.0 0.0
147 5.9 10.5 3.0 548.8 1853.6 0.0 5.6 0.0 0.0
147 12.0 9.1 7.5 791.1 1297.5 0.0 8.0 0.0 0.0
148 5.9 10.7 3.0 550.0 1859.6 0.0 5.5 0.0 0.0
148 12.0 9.1 7.5 791.1 1297.5 0.0 8.0 0.0 0.0
149 5.9 10.6 3.0 548.8 1840.8 0.0 5.6 0.0 0.0
149 12.0 9.1 7.5 791.1 1297.5 0.0 8.0 0.0 0.0
150 5.9 10.7 3.0 551.5 1817.3 0.0 5.6 0.0 0.0
150 12.0 9.1 7.5 791.1 1297.5 0.0 8.0 0.0 0.0
151 5.8 10.7 2.9 548.0 1850.6 0.0 5.6 0.0 0.0
151 12.0 9.1 7.5 791.1 1297.5 0.0 8.0 0.0 0.0
152 5.9 10.6 3.0 550.5 1872.8 0.0 5.6 0.0 0.0
152 12.0 9.1 7.5 791.1 1297.5 0.0 8.0 0.0 0.0
153 5.8 19.9 3.0 329.2 1840.2 0.0 4.9 0.0 0.0
153 11.9 17.5 7.5 782.7 1293.8 0.0 11.7 0.0 0.0
154 5.9 20.3 3.0 543.8 1857.9 0.0 8.1 0.0 0.0
154 11.9 17.5 7.5 782.7 1293.8 0.0 11.7 0.0 0.0
155 6.0 20.3 3.1 544.5 1879.6 0.0 8.1 0.0 0.0
155 11.9 17.5 7.5 782.7 1293.8 0.0 11.7 0.0 0.0
156 5.9 20.3 3.0 544.4 1864.8 0.0 8.1 0.0 0.0
156 11.9 17.5 7.5 782.7 1293.8 0.0 11.7 0.0 0.0
157 5.9 20.2 3.0 544.5 1841.7 0.0 8.1 0.0 0.0
157 11.9 17.5 7.5 782.7 1293.8 0.0 11.7 0.0 0.0
158 5.9 20.2 3.0 543.9 1829.4 0.0 8.1 0.0 0.0
158 11.9 17.5 7.5 782.7 1293.8 0.0 11.7 0.0 0.0
159 5.9 20.3 3.0 543.0 1847.3 0.0 8.1 0.0 0.0
159 11.9 17.5 7.5 782.7 1293.8 0.0 11.7 0.0 0.0
160 6.0 20.1 3.1 542.2 1859.6 0.0 8.2 0.0 0.0
160 11.9 17.5 7.5 782.7 1293.8 0.0 11.7 0.0 0.0
161 5.8 9.3 3.0 334.1 1858.8 0.0 3.0 0.0 0.0
161 11.9 8.9 7.5 791.3 1298.5 0.0 7.1 0.0 0.0
162 5.9 10.5 3.0 550.6 1888.6 0.0 4.9 0.0 0.0
162 11.9 8.9 7.5 791.3 1298.5 0.0 7.1 0.0 0.0
163 5.8 10.6 2.9 550.3 1858.7 0.0 4.9 0.0 0.0
163 11.9 8.9 7.5 791.3 1298.5 0.0 7.1 0.0 0.0
164 5.8 10.6 2.9 550.8 1851.0 0.0 4.9 0.0 0.0
164 11.9 8.9 7.5 791.3 1298.5 0.0 7.1 0.0 0.0
165 5.7 10.7 2.8 542.6 1839.8 0.0 4.9 0.0 0.0
165 11.9 8.9 7.5 791.3 1298.5 0.0 7.1 0.0 0.0
166 5.8 10.5 2.9 552.2 1859.2 0.0 4.9 0.0 0.0
166 11.9 8.9 7.5 791.3 1298.5 0.0 7.1 0.0 0.0
167 5.9 10.6 2.9 549.3 1871.7 0.0 4.9 0.0 0.0
167 11.9 8.9 7.5 791.3 1298.5 0.0 7.1 0.0 0.0
168 5.9 10.7 2.9 546.7 1867.6 0.0 4.9 0.0 0.0
168 11.9 8.9 7.5 791.3 1298.5 0.0 7.1 0.0 0.0
169 5.9 19.9 3.0 331.1 1866.2 0.0 2.8 0.0 0.0
169 11.9 18.5 7.5 781.7 1298.8 0.0 6.7 0.0 0.0
170 6.0 21.1 3.1 538.0 1878.6 0.0 4.7 0.0 0.0
170 11.9 18.5 7.5 781.7 1298.8 0.0 6.7 0.0 0.0
171 6.0 21.2 3.1 543.2 1872.5 0.0 4.6 0.0 0.0
171 11.9 18.5 7.5 781.7 1298.8 0.0 6.7 0.0 0.0
172 6.0 21.5 3.0 543.1 1851.9 0.0 4.7 0.0 0.0
172 11.9 18.5 7.5 781.7 1298.8 0.0 6.7 0.0 0.0
173 6.0 21.4 3.0 542.2 1843.1 0.0 4.7 0.0 0.0
173 11.9 18.5 7.5 781.7 1298.8 0.0 6.7 0.0 0.0
174 6.0 21.1 3.1 542.4 1846.8 0.0 4.6 0.0 0.0
174 11.9 18.5 7.5 781.7 1298.8 0.0 6.7 0.0 0.0
175 6.0 21.2 3.0 541.4 1869.5 0.0 4.6 0.0 0.0
175 11.9 18.5 7.5 781.7 1298.8 0.0 6.7 0.0 0.0
176 6.0 21.3 3.0 544.5 1878.2 0.0 4.7 0.0 0.0
176 11.9 18.5 7.5 781.7 1298.8 0.0 6.7 0.0 0.0
177 5.8 9.7 3.0 336.3 1864.4 0.0 2.3 0.0 0.0
177 11.9 8.6 7.5 791.6 1299.9 0.0 5.5 0.0 0.0
178 5.9 10.7 3.0 548.0 1883.9 0.0 3.9 0.0 0.0
178 11.9 8.6 7.5 791.6 1299.9 0.0 5.5 0.0 0.0
179 5.9 10.7 3.0 550.2 1864.4 0.0 3.9 0.0 0.0
179 11.9 8.6 7.5 791.6 1299.9 0.0 5.5 0.0 0.0
180 5.8 10.7 2.9 550.5 1858.8 0.0 3.9 0.0 0.0
180 11.9 8.6 7.5 791.6 1299.9 0.0 5.5 0.0 0.0
181 5.8 10.9 2.9 550.7 1876.9 0.0 3.8 0.0 0.0
181 11.9 8.6 7.5 791.6 1299.9 0.0 5.5 0.0 0.0
182 5.9 10.8 2.9 549.0 1832.0 0.0 3.9 0.0 0.0
182 11.9 8.6 7.5 791.6 1299.9 0.0 5.5 0.0 0.0
183 5.9 10.8 3.0 547.6 1868.5 0.0 3.8 0.0 0.0
183 11.9 8.6 7.5 791.6 1299.9 0.0 5.5 0.0 0.0
184 5.9 10.7 3.0 550.9 1890.2 0.0 3.9 0.0 0.0
184 11.9 8.6 7.5 791.6 1299.9 0.0 5.5 0.0 0.0
185 5.8 19.4 3.0 333.1 1855.3 0.0 4.9 0.0 0.0
185 11.9 17.8 7.5 782.4 1293.8 0.0 11.6 0.0 0.0
186 5.9 20.5 3.0 544.8 1886.2 0.0 8.1 0.0 0.0
186 11.9 17.8 7.5 782.4 1293.8 0.0 11.6 0.0 0.0
187 5.9 20.6 3.0 544.1 1856.5 0.0 8.1 0.0 0.0
187 11.9 17.8 7.5 782.4 1293.8 0.0 11.6 0.0 0.0
188 5.9 20.4 3.0 541.7 1847.8 0.0 8.1 0.0 0.0
188 11.9 17.8 7.5 782.4 1293.8 0.0 11.6 0.0 0.0
189 5.9 20.5 3.0 544.9 1850.8 0.0 8.1 0.0 0.0
189 11.9 17.8 7.5 782.4 1293.8 0.0 11.6 0.0 0.0
190 5.9 20.5 3.0 544.4 1828.1 0.0 8.1 0.0 0.0
190 11.9 17.8 7.5 782.4 1293.8 0.0 11.6 0.0 0.0
191 5.9 20.7 3.0 544.5 1863.2 0.0 8.1 0.0 0.0
191 11.9 17.8 7.5 782.4 1293.8 0.0 11.6 0.0 0.0
192 5.9 20.5 3.0 545.6 1885.6 0.0 8.1 0.0 0.0
192 11.9 17.8 7.5 782.4 1293.8 0.0 11.6 0.0 0.0
193 5.9 19.7 3.0 333.2 1848.7 0.0 4.9 0.0 0.0
193 11.9 17.0 7.5 783.1 1293.8 0.0 11.6 0.0 0.0
194 6.0 19.9 3.1 547.7 1862.5 0.0 8.1 0.0 0.0
194 11.9 17.0 7.5 783.1 1293.8 0.0 11.6 0.0 0.0
195 6.0 19.7 3.0 544.1 1856.8 0.0 8.1 0.0 0.0
195 11.9 17.0 7.5 783.1 1293.8 0.0 11.6 0.0 0.0
196 6.0 19.9 3.0 541.5 1843.7 0.0 8.1 0.0 0.0
196 11.9 17.0 7.5 783.1 1293.8 0.0 11.6 0.0 0.0
197 5.9 19.9 3.0 543.5 1838.9 0.0 8.1 0.0 0.0
197 11.9 17.0 7.5 783.1 1293.8 0.0 11.6 0.0 0.0
198 6.0 19.7 3.1 542.6 1823.6 0.0 8.1 0.0 0.0
198 11.9 17.0 7.5 783.1 1293.8 0.0 11.6 0.0 0.0
199 6.0 19.8 3.0 543.6 1847.0 0.0 8.1 0.0 0.0
199 11.9 17.0 7.5 783.1 1293.8 0.0 11.6 0.0 0.0
200 6.0 19.7 3.0 544.2 1860.6 0.0 8.1 0.0 0.0
200 11.9 17.0 7.5 783.1 1293.8 0.0 11.6 0.0 0.0
201 5.8 19.5 3.0 334.9 1848.1 0.0 3.3 0.0 0.0
201 11.9 16.9 7.5 783.3 1297.8 0.0 7.6 0.0 0.0
202 5.8 20.1 2.9 543.1 1862.5 0.0 5.3 0.0 0.0
202 11.9 16.9 7.5 783.3 1297.8 0.0 7.6 0.0 0.0
203 5.8 19.8 3.0 543.5 1865.7 0.0 5.3 0.0 0.0
203 11.9 16.9 7.5 783.3 1297.8 0.0 7.6 0.0 0.0
204 5.8 20.0 2.9 544.1 1899.8 0.0 5.3 0.0 0.0
204 11.9 16.9 7.5 783.3 1297.8 0.0 7.6 0.0 0.0
205 5.8 19.9 2.9 545.9 1848.9 0.0 5.3 0.0 0.0
205 11.9 16.9 7.5 783.3 1297.8 0.0 7.6 0.0 0.0
206 5.8 19.9 2.9 543.5 1831.1 0.0 5.3 0.0 0.0
206 11.9 16.9 7.5 783.3 1297.8 0.0 7.6 0.0 0.0
207 5.8 19.9 2.9 542.9 1861.2 0.0 5.3 0.0 0.0
207 11.9 16.9 7.5 783.3 1297.8 0.0 7.6 0.0 0.0
208 5.8 19.7 2.9 543.9 1875.3 0.0 5.3 0.0 0.0
208 11.9 16.9 7.5 783.3 1297.8 0.0 7.6 0.0 0.0
209 5.7 19.9 3.0 330.5 1854.9 0.0 3.7 0.0 0.0
209 11.9 18.4 7.5 781.8 1296.7 0.0 8.7 0.0 0.0
210 5.8 21.3 2.9 541.3 1879.4 0.0 6.1 0.0 0.0
210 11.9 18.4 7.5 781.8 1296.7 0.0 8.7 0.0 0.0
211 5.9 21.1 3.0 541.1 1881.0 0.0 6.1 0.0 0.0
211 11.9 18.4 7.5 781.8 1296.7 0.0 8.7 0.0 0.0
212 5.8 21.3 2.9 543.0 1862.4 0.0 6.1 0.0 0.0
212 11.9 18.4 7.5 781.8 1296.7 0.0 8.7 0.0 0.0
213 5.9 21.4 2.9 541.2 1871.5 0.0 6.1 0.0 0.0
213 11.9 18.4 7.5 781.8 1296.7 0.0 8.7 0.0 0.0
214 5.9 21.1 3.0 540.1 1836.9 0.0 6.1 0.0 0.0
214 11.9 18.4 7.5 781.8 1296.7 0.0 8.7 0.0 0.0
215 5.9 21.2 3.0 544.3 1865.9 0.0 6.1 0.0 0.0
215 11.9 18.4 7.5 781.8 1296.7 0.0 8.7 0.0 0.0
216 5.9 21.2 3.0 545.2 1877.4 0.0 6.1 0.0 0.0
216 11.9 18.4 7.5 781.8 1296.7 0.0 8.7 0.0 0.0
217 5.5 20.0 2.7 336.7 1864.3 0.0 3.0 0.0 0.0
217 11.9 17.1 7.5 783.1 1298.4 0.0 7.1 0.0 0.0
218 5.8 20.0 2.9 542.3 1879.0 0.0 4.9 0.0 0.0
218 11.9 17.1 7.5 783.1 1298.4 0.0 7.1 0.0 0.0
219 5.5 20.5 2.6 543.4 1894.5 0.0 4.9 0.0 0.0
219 11.9 17.1 7.5 783.1 1298.4 0.0 7.1 0.0 0.0
220 5.6 20.2 2.7 541.3 1882.7 0.0 4.9 0.0 0.0
220 11.9 17.1 7.5 783.1 1298.4 0.0 7.1 0.0 0.0
221 5.5 20.3 2.6 544.0 1855.6 0.0 4.9 0.0 0.0
221 11.9 17.1 7.5 783.1 1298.4 0.0 7.1 0.0 0.0
222 5.6 20.3 2.8 543.4 1848.4 0.0 4.9 0.0 0.0
222 11.9 17.1 7.5 783.1 1298.4 0.0 7.1 0.0 0.0
223 5.6 20.2 2.7 543.4 1886.5 0.0 4.9 0.0 0.0
223 11.9 17.1 7.5 783.1 1298.4 0.0 7.1 0.0 0.0
224 5.5 20.4 2.7 543.7 1885.1 0.0 4.9 0.0 0.0
224 11.9 17.1 7.5 783.1 1298.4 0.0 7.1 0.0 0.0
225 5.7 20.0 2.9 326.1 1873.7 0.0 4.9 0.0 0.0
225 12.0 17.2 7.5 783.0 1293.8 0.0 11.7 0.0 0.0
226 5.9 20.5 2.9 544.2 1887.6 0.0 8.1 0.0 0.0
226 12.0 17.2 7.5 783.0 1293.8 0.0 11.7 0.0 0.0
227 5.9 20.1 2.9 543.6 1876.0 0.0 8.2 0.0 0.0
227 12.0 17.2 7.5 783.0 1293.8 0.0 11.7 0.0 0.0
228 5.8 20.5 2.9 542.9 1871.0 0.0 8.2 0.0 0.0
228 12.0 17.2 7.5 783.0 1293.8 0.0 11.7 0.0 0.0
229 5.9 20.1 3.0 542.4 1887.7 0.0 8.2 0.0 0.0
229 12.0 17.2 7.5 783.0 1293.8 0.0 11.7 0.0 0.0
230 5.8 20.4 2.9 541.7 1877.4 0.0 8.2 0.0 0.0
230 12.0 17.2 7.5 783.0 1293.8 0.0 11.7 0.0 0.0
231 5.9 20.3 2.9 542.5 1876.3 0.0 8.1 0.0 0.0
231 12.0 17.2 7.5 783.0 1293.8 0.0 11.7 0.0 0.0
232 5.8 20.0 2.9 539.6 1889.8 0.0 8.1 0.0 0.0
232 12.0 17.2 7.5 783.0 1293.8 0.0 11.7 0.0 0.0
233 5.9 9.9 3.0 336.2 1845.4 0.0 4.7 0.0 0.0
233 11.9 10.3 7.5 789.9 1294.3 0.0 11.2 0.0 0.0
234 5.9 11.3 3.0 549.6 1854.2 0.0 7.8 0.0 0.0
234 11.9 10.3 7.5 789.9 1294.3 0.0 11.2 0.0 0.0
235 6.0 10.9 3.0 547.9 1848.3 0.0 7.8 0.0 0.0
235 11.9 10.3 7.5 789.9 1294.3 0.0 11.2 0.0 0.0
236 6.0 11.1 3.0 549.5 1855.5 0.0 7.8 0.0 0.0
236 11.9 10.3 7.5 789.9 1294.3 0.0 11.2 0.0 0.0
237 6.0 11.2 3.1 549.8 1846.6 0.0 7.8 0.0 0.0
237 11.9 10.3 7.5 789.9 1294.3 0.0 11.2 0.0 0.0
238 6.0 11.1 3.0 547.6 1831.7 0.0 7.7 0.0 0.0
238 11.9 10.3 7.5 789.9 1294.3 0.0 11.2 0.0 0.0
239 6.0 10.8 3.0 550.7 1850.5 0.0 7.7 0.0 0.0
239 11.9 10.3 7.5 789.9 1294.3 0.0 11.2 0.0 0.0
240 5.9 11.1 3.0 548.8 1869.1 0.0 7.8 0.0 0.0
240 11.9 10.3 7.5 789.9 1294.3 0.0 11.2 0.0 0.0
241 5.8 19.6 2.9 332.1 1852.3 0.0 4.9 0.0 0.0
241 11.9 16.9 7.5 783.3 1293.8 0.0 11.7 0.0 0.0
242 5.8 19.8 2.9 547.2 1870.5 0.0 8.1 0.0 0.0
242 11.9 16.9 7.5 783.3 1293.8 0.0 11.7 0.0 0.0
243 5.9 19.8 3.0 544.9 1863.0 0.0 8.1 0.0 0.0
243 11.9 16.9 7.5 783.3 1293.8 0.0 11.7 0.0 0.0
244 5.9 19.9 3.0 544.6 1900.0 0.0 8.1 0.0 0.0
244 11.9 16.9 7.5 783.3 1293.8 0.0 11.7 0.0 0.0
245 5.9 19.9 3.0 543.7 1846.8 0.0 8.1 0.0 0.0
245 11.9 16.9 7.5 783.3 1293.8 0.0 11.7 0.0 0.0
246 5.9 19.9 3.0 540.3 1837.1 0.0 8.1 0.0 0.0
246 11.9 16.9 7.5 783.3 1293.8 0.0 11.7 0.0 0.0
247 5.9 19.7 3.0 544.0 1866.5 0.0 8.1 0.0 0.0
247 11.9 16.9 7.5 783.3 1293.8 0.0 11.7 0.0 0.0
248 5.8 19.5 3.0 547.3 1870.6 0.0 8.1 0.0 0.0
248 11.9 16.9 7.5 783.3 1293.8 0.0 11.7 0.0 0.0
249 5.7 9.5 2.9 335.6 1861.5 0.0 2.5 0.0 0.0
249 11.9 9.5 7.5 790.6 1299.5 0.0 5.9 0.0 0.0
250 5.9 10.7 3.0 551.1 1871.4 0.0 4.1 0.0 0.0
250 11.9 9.5 7.5 790.6 1299.5 0.0 5.9 0.0 0.0
251 6.0 10.6 3.1 549.6 1874.5 0.0 4.1 0.0 0.0
251 11.9 9.5 7.5 790.6 1299.5 0.0 5.9 0.0 0.0
252 5.9 10.6 3.0 548.6 1856.2 0.0 4.1 0.0 0.0
252 11.9 9.5 7.5 790.6 1299.5 0.0 5.9 0.0 0.0
253 5.9 10.8 3.0 549.9 1874.1 0.0 4.1 0.0 0.0
253 11.9 9.5 7.5 790.6 1299.5 0.0 5.9 0.0 0.0
254 5.9 10.6 3.0 547.6 1837.9 0.0 4.1 0.0 0.0
254 11.9 9.5 7.5 790.6 1299.5 0.0 5.9 0.0 0.0
255 6.0 10.6 3.1 549.2 1873.9 0.0 4.1 0.0 0.0
255 11.9 9.5 7.5 790.6 1299.5 0.0 5.9 0.0 0.0
256 6.0 10.7 3.0 550.0 1875.7 0.0 4.1 0.0 0.0
256 11.9 9.5 7.5 790.6 1299.5 0.0 5.9 0.0 0.0
257 5.9 9.4 3.0 330.3 1849.4 0.0 2.4 0.0 0.0
257 11.9 8.8 7.5 791.3 1299.8 0.0 5.7 0.0 0.0
258 6.1 10.5 3.1 551.3 1864.3 0.0 3.9 0.0 0.0
258 11.9 8.8 7.5 791.3 1299.8 0.0 5.7 0.0 0.0
259 6.0 10.5 3.1 549.0 1863.8 0.0 3.9 0.0 0.0
259 11.9 8.8 7.5 791.3 1299.8 0.0 5.7 0.0 0.0
260 6.1 10.5 3.1 548.7 1864.3 0.0 3.9 0.0 0.0
260 11.9 8.8 7.5 791.3 1299.8 0.0 5.7 0.0 0.0
261 6.0 10.5 3.0 533.9 1882.4 0.0 3.9 0.0 0.0
261 11.9 8.8 7.5 791.3 1299.8 0.0 5.7 0.0 0.0
262 6.1 10.7 3.1 549.7 1831.5 0.0 3.9 0.0 0.0
262 11.9 8.8 7.5 791.3 1299.8 0.0 5.7 0.0 0.0
263 6.1 10.5 3.1 549.1 1870.8 0.0 3.9 0.0 0.0
263 11.9 8.8 7.5 791.3 1299.8 0.0 5.7 0.0 0.0
264 6.1 10.3 3.1 549.7 1871.8 0.0 4.0 0.0 0.0
264 11.9 8.8 7.5 791.3 1299.8 0.0 5.7 0.0 0.0
265 5.7 19.8 2.9 333.4 1851.5 0.0 4.0 0.0 0.0
265 11.9 17.1 7.5 783.1 1296.0 0.0 9.5 0.0 0.0
266 5.8 20.2 2.9 539.0 1869.7 0.0 6.6 0.0 0.0
266 11.9 17.1 7.5 783.1 1296.0 0.0 9.5 0.0 0.0
267 5.8 20.0 3.0 544.5 1861.6 0.0 6.6 0.0 0.0
267 11.9 17.1 7.5 783.1 1296.0 0.0 9.5 0.0 0.0
268 5.9 20.1 3.0 538.0 1870.0 0.0 6.6 0.0 0.0
268 11.9 17.1 7.5 783.1 1296.0 0.0 9.5 0.0 0.0
269 5.9 20.0 3.0 542.7 1851.1 0.0 6.6 0.0 0.0
269 11.9 17.1 7.5 783.1 1296.0 0.0 9.5 0.0 0.0
270 5.9 20.2 3.0 539.9 1838.9 0.0 6.6 0.0 0.0
270 11.9 17.1 7.5 783.1 1296.0 0.0 9.5 0.0 0.0
271 5.9 19.9 3.0 544.0 1864.9 0.0 6.6 0.0 0.0
271 11.9 17.1 7.5 783.1 1296.0 0.0 9.5 0.0 0.0
272 5.9 19.9 3.0 538.2 1868.6 0.0 6.6 0.0 0.0
272 11.9 17.1 7.5 783.1 1296.0 0.0 9.5 0.0 0.0
273 5.7 9.4 2.9 337.2 1870.8 0.0 2.7 0.0 0.0
273 11.9 9.6 7.5 790.6 1299.3 0.0 6.2 0.0 0.0
274 5.9 10.5 3.0 546.5 1879.7 0.0 4.3 0.0 0.0
274 11.9 9.6 7.5 790.6 1299.3 0.0 6.2 0.0 0.0
275 6.0 10.5 3.1 548.0 1864.7 0.0 4.3 0.0 0.0
275 11.9 9.6 7.5 790.6 1299.3 0.0 6.2 0.0 0.0
276 6.0 10.4 3.1 549.8 1862.9 0.0 4.4 0.0 0.0
276 11.9 9.6 7.5 790.6 1299.3 0.0 6.2 0.0 0.0
277 6.0 10.6 3.1 548.6 1887.3 0.0 4.3 0.0 0.0
277 11.9 9.6 7.5 790.6 1299.3 0.0 6.2 0.0 0.0
278 6.0 10.5 3.0 550.6 1844.1 0.0 4.3 0.0 0.0
278 11.9 9.6 7.5 790.6 1299.3 0.0 6.2 0.0 0.0
279 5.9 10.6 3.0 545.2 1871.5 0.0 4.3 0.0 0.0
279 11.9 9.6 7.5 790.6 1299.3 0.0 6.2 0.0 0.0
280 6.0 10.6 3.1 547.9 1873.2 0.0 4.3 0.0 0.0
280 11.9 9.6 7.5 790.6 1299.3 0.0 6.2 0.0 0.0
281 5.8 19.8 3.0 331.7 1863.9 0.0 4.3 0.0 0.0
281 11.9 16.9 7.5 783.3 1295.4 0.0 10.1 0.0 0.0
282 6.0 19.9 3.1 544.1 1874.7 0.0 7.0 0.0 0.0
282 11.9 16.9 7.5 783.3 1295.4 0.0 10.1 0.0 0.0
283 6.0 19.6 3.1 543.6 1881.9 0.0 7.0 0.0 0.0
283 11.9 16.9 7.5 783.3 1295.4 0.0 10.1 0.0 0.0
284 6.0 20.1 3.1 544.3 1866.0 0.0 7.0 0.0 0.0
284 11.9 16.9 7.5 783.3 1295.4 0.0 10.1 0.0 0.0
285 6.0 19.7 3.1 544.7 1877.9 0.0 7.0 0.0 0.0
285 11.9 16.9 7.5 783.3 1295.4 0.0 10.1 0.0 0.0
286 6.0 20.0 3.1 544.9 1849.6 0.0 7.0 0.0 0.0
286 11.9 16.9 7.5 783.3 1295.4 0.0 10.1 0.0 0.0
287 6.0 19.8 3.1 542.6 1875.1 0.0 7.0 0.0 0.0
287 11.9 16.9 7.5 783.3 1295.4 0.0 10.1 0.0 0.0
288 6.0 19.6 3.1 544.6 1889.2 0.0 7.0 0.0 0.0
288 11.9 16.9 7.5 783.3 1295.4 0.0 10.1 0.0 0.0
289 5.7 9.9 2.9 333.4 1840.0 0.0 4.6 0.0 0.0
289 11.9 10.0 7.5 790.2 1294.6 0.0 10.9 0.0 0.0
290 6.0 11.2 3.1 549.1 1844.7 0.0 7.6 0.0 0.0
290 11.9 10.0 7.5 790.2 1294.6 0.0 10.9 0.0 0.0
291 5.9 11.2 3.0 545.5 1825.3 0.0 7.6 0.0 0.0
291 11.9 10.0 7.5 790.2 1294.6 0.0 10.9 0.0 0.0
292 5.9 11.2 3.0 545.0 1822.9 0.0 7.6 0.0 0.0
292 11.9 10.0 7.5 790.2 1294.6 0.0 10.9 0.0 0.0
293 5.9 11.3 3.0 548.0 1816.9 0.0 7.6 0.0 0.0
293 11.9 10.0 7.5 790.2 1294.6 0.0 10.9 0.0 0.0
294 6.0 11.0 3.1 549.5 1805.8 0.0 7.6 0.0 0.0
294 11.9 10.0 7.5 790.2 1294.6 0.0 10.9 0.0 0.0
295 5.9 11.1 3.0 548.1 1838.1 0.0 7.6 0.0 0.0
295 11.9 10.0 7.5 790.2 1294.6 0.0 10.9 0.0 0.0
296 6.0 11.0 3.1 546.6 1838.9 0.0 7.6 0.0 0.0
296 11.9 10.0 7.5 790.2 1294.6 0.0 10.9 0.0 0.0
297 5.7 9.8 2.9 334.1 1839.4 0.0 5.1 0.0 0.0
297 11.9 9.7 7.5 790.5 1293.7 0.0 11.7 0.0 0.0
298 5.8 10.9 2.9 549.5 1858.8 0.0 8.1 0.0 0.0
298 11.9 9.7 7.5 790.5 1293.7 0.0 11.7 0.0 0.0
299 5.8 11.0 2.9 549.4 1850.1 0.0 8.2 0.0 0.0
299 11.9 9.7 7.5 790.5 1293.7 0.0 11.7 0.0 0.0
300 5.9 11.1 3.0 549.3 1844.9 0.0 8.0 0.0 0.0
300 11.9 9.7 7.5 790.5 1293.7 0.0 11.7 0.0 0.0
301 5.9 11.0 2.9 548.3 1837.9 0.0 8.2 0.0 0.0
301 11.9 9.7 7.5 790.5 1293.7 0.0 11.7 0.0 0.0
302 5.9 10.9 3.0 548.7 1848.1 0.0 8.2 0.0 0.0
302 11.9 9.7 7.5 790.5 1293.7 0.0 11.7 0.0 0.0
303 5.9 11.0 3.0 547.8 1862.8 0.0 8.2 0.0 0.0
303 11.9 9.7 7.5 790.5 1293.7 0.0 11.7 0.0 0.0
304 5.8 11.1 2.9 548.5 1868.9 0.0 8.1 0.0 0.0
304 11.9 9.7 7.5 790.5 1293.7 0.0 11.7 0.0 0.0
305 5.7 9.3 2.9 334.0 1842.7 0.0 5.0 0.0 0.0
305 11.9 9.4 7.5 790.8 1293.8 0.0 11.7 0.0 0.0
306 5.9 10.4 3.0 550.5 1854.2 0.0 8.2 0.0 0.0
306 11.9 9.4 7.5 790.8 1293.8 0.0 11.7 0.0 0.0
307 5.9 10.4 3.0 549.2 1848.9 0.0 8.1 0.0 0.0
307 11.9 9.4 7.5 790.8 1293.8 0.0 11.7 0.0 0.0
308 6.0 10.3 3.1 545.4 1849.2 0.0 8.1 0.0 0.0
308 11.9 9.4 7.5 790.8 1293.8 0.0 11.7 0.0 0.0
309 5.9 10.5 3.0 547.3 1839.9 0.0 8.1 0.0 0.0
309 11.9 9.4 7.5 790.8 1293.8 0.0 11.7 0.0 0.0
310 6.0 10.3 3.1 549.0 1838.6 0.0 8.1 0.0 0.0
310 11.9 9.4 7.5 790.8 1293.8 0.0 11.7 0.0 0.0
311 6.0 10.4 3.1 548.8 1856.6 0.0 8.1 0.0 0.0
311 11.9 9.4 7.5 790.8 1293.8 0.0 11.7 0.0 0.0
312 5.9 10.4 3.0 550.8 1868.2 0.0 8.1 0.0 0.0
312 11.9 9.4 7.5 790.8 1293.8 0.0 11.7 0.0 0.0
313 5.7 9.3 2.9 334.5 1834.2 0.0 4.9 0.0 0.0
313 12.0 8.5 7.5 791.7 1294.0 0.0 11.4 0.0 0.0
314 5.9 10.4 3.0 545.2 1872.9 0.0 7.9 0.0 0.0
314 12.0 8.5 7.5 791.7 1294.0 0.0 11.4 0.0 0.0
315 6.0 10.3 3.1 548.6 1848.0 0.0 8.0 0.0 0.0
315 12.0 8.5 7.5 791.7 1294.0 0.0 11.4 0.0 0.0
316 6.0 10.4 3.1 548.1 1847.2 0.0 7.9 0.0 0.0
316 12.0 8.5 7.5 791.7 1294.0 0.0 11.4 0.0 0.0
317 6.0 10.3 3.1 550.2 1841.1 0.0 7.9 0.0 0.0
317 12.0 8.5 7.5 791.7 1294.0 0.0 11.4 0.0 0.0
318 6.0 10.4 3.1 551.8 1819.0 0.0 8.0 0.0 0.0
318 12.0 8.5 7.5 791.7 1294.0 0.0 11.4 0.0 0.0
319 6.0 10.5 3.1 548.5 1846.8 0.0 8.0 0.0 0.0
319 12.0 8.5 7.5 791.7 1294.0 0.0 11.4 0.0 0.0
320 5.8 10.4 2.9 526.2 1862.1 0.0 7.9 0.0 0.0
320 12.0 8.5 7.5 791.7 1294.0 0.0 11.4 0.0 0.0
321 5.7 9.3 3.0 333.7 1849.1 0.0 2.5 0.0 0.0
321 11.9 8.7 7.5 791.5 1299.5 0.0 6.0 0.0 0.0
322 6.0 10.5 3.1 549.1 1870.3 0.0 4.2 0.0 0.0
322 11.9 8.7 7.5 791.5 1299.5 0.0 6.0 0.0 0.0
323 5.9 10.5 3.0 547.3 1857.9 0.0 4.1 0.0 0.0
323 11.9 8.7 7.5 791.5 1299.5 0.0 6.0 0.0 0.0
324 6.0 10.3 3.1 547.9 1859.7 0.0 4.1 0.0 0.0
324 11.9 8.7 7.5 791.5 1299.5 0.0 6.0 0.0 0.0
325 5.9 10.6 3.0 548.1 1851.8 0.0 4.2 0.0 0.0
325 11.9 8.7 7.5 791.5 1299.5 0.0 6.0 0.0 0.0
326 6.0 10.6 3.0 548.7 1843.6 0.0 4.2 0.0 0.0
326 11.9 8.7 7.5 791.5 1299.5 0.0 6.0 0.0 0.0
327 5.9 10.5 3.1 547.7 1859.7 0.0 4.1 0.0 0.0
327 11.9 8.7 7.5 791.5 1299.5 0.0 6.0 0.0 0.0
328 5.9 10.5 3.0 545.4 1881.9 0.0 4.2 0.0 0.0
328 11.9 8.7 7.5 791.5 1299.5 0.0 6.0 0.0 0.0
329 5.8 9.3 3.0 334.6 1851.5 0.0 4.9 0.0 0.0
329 11.9 8.8 7.5 791.3 1293.8 0.0 11.7 0.0 0.0
330 5.9 10.5 3.0 549.1 1867.1 0.0 8.1 0.0 0.0
330 11.9 8.8 7.5 791.3 1293.8 0.0 11.7 0.0 0.0
331 6.0 10.6 3.0 548.2 1863.1 0.0 8.1 0.0 0.0
331 11.9 8.8 7.5 791.3 1293.8 0.0 11.7 0.0 0.0
332 6.0 10.5 3.1 548.6 1869.8 0.0 8.1 0.0 0.0
332 11.9 8.8 7.5 791.3 1293.8 0.0 11.7 0.0 0.0
333 6.1 10.5 3.1 549.5 1861.5 0.0 8.1 0.0 0.0
333 11.9 8.8 7.5 791.3 1293.8 0.0 11.7 0.0 0.0
334 6.0 10.6 3.1 548.0 1846.9 0.0 8.0 0.0 0.0
334 11.9 8.8 7.5 791.3 1293.8 0.0 11.7 0.0 0.0
335 6.0 10.7 3.0 548.5 1856.5 0.0 8.1 0.0 0.0
335 11.9 8.8 7.5 791.3 1293.8 0.0 11.7 0.0 0.0
336 6.0 10.7 3.1 550.5 1868.9 0.0 8.1 0.0 0.0
336 11.9 8.8 7.5 791.3 1293.8 0.0 11.7 0.0 0.0
337 5.8 9.5 3.0 335.2 1852.5 0.0 4.0 0.0 0.0
337 11.9 9.4 7.5 790.8 1295.9 0.0 9.5 0.0 0.0
338 6.0 10.4 3.0 548.5 1883.4 0.0 6.6 0.0 0.0
338 11.9 9.4 7.5 790.8 1295.9 0.0 9.5 0.0 0.0
339 5.9 10.3 3.0 548.0 1868.0 0.0 6.6 0.0 0.0
339 11.9 9.4 7.5 790.8 1295.9 0.0 9.5 0.0 0.0
340 5.9 10.5 3.0 547.9 1855.0 0.0 6.7 0.0 0.0
340 11.9 9.4 7.5 790.8 1295.9 0.0 9.5 0.0 0.0
341 5.9 10.4 3.0 549.1 1873.3 0.0 6.6 0.0 0.0
341 11.9 9.4 7.5 790.8 1295.9 0.0 9.5 0.0 0.0
342 5.9 10.5 3.0 549.9 1832.7 0.0 6.6 0.0 0.0
342 11.9 9.4 7.5 790.8 1295.9 0.0 9.5 0.0 0.0
343 5.9 10.3 3.0 547.5 1860.8 0.0 6.6 0.0 0.0
343 11.9 9.4 7.5 790.8 1295.9 0.0 9.5 0.0 0.0
344 5.9 10.5 3.0 548.4 1870.9 0.0 6.6 0.0 0.0
344 11.9 9.4 7.5 790.8 1295.9 0.0 9.5 0.0 0.0
345 5.9 9.3 3.0 334.6 1866.7 0.0 4.9 0.0 0.0
345 11.9 9.6 7.5 790.6 1293.7 0.0 11.7 0.0 0.0
346 6.1 10.5 3.1 547.9 1896.5 0.0 8.1 0.0 0.0
346 11.9 9.6 7.5 790.6 1293.7 0.0 11.7 0.0 0.0
347 6.1 10.5 3.1 547.7 1866.0 0.0 8.2 0.0 0.0
347 11.9 9.6 7.5 790.6 1293.7 0.0 11.7 0.0 0.0
348 6.1 10.4 3.1 549.0 1867.4 0.0 8.1 0.0 0.0
348 11.9 9.6 7.5 790.6 1293.7 0.0 11.7 0.0 0.0
349 6.1 10.6 3.1 551.1 1878.3 0.0 8.1 0.0 0.0
349 11.9 9.6 7.5 790.6 1293.7 0.0 11.7 0.0 0.0
350 6.1 10.5 3.1 549.3 1848.2 0.0 8.1 0.0 0.0
350 11.9 9.6 7.5 790.6 1293.7 0.0 11.7 0.0 0.0
351 6.1 10.5 3.1 548.9 1871.6 0.0 8.2 0.0 0.0
351 11.9 9.6 7.5 790.6 1293.7 0.0 11.7 0.0 0.0
352 6.1 10.4 3.1 549.8 1895.5 0.0 8.2 0.0 0.0
352 11.9 9.6 7.5 790.6 1293.7 0.0 11.7 0.0 0.0
353 5.7 9.4 2.9 335.5 1849.0 0.0 0.0 0.0 0.0
353 11.9 8.9 7.5 791.3 1305.5 0.0 0.0 0.0 0.0
354 5.9 10.4 3.0 550.1 1845.2 0.0 0.0 0.0 0.0
354 11.9 8.9 7.5 791.3 1305.5 0.0 0.0 0.0 0.0
355 5.9 10.5 3.0 548.1 1852.5 0.0 0.0 0.0 0.0
355 11.9 8.9 7.5 791.3 1305.5 0.0 0.0 0.0 0.0
356 5.9 10.7 3.0 550.5 1842.7 0.0 0.0 0.0 0.0
356 11.9 8.9 7.5 791.3 1305.5 0.0 0.0 0.0 0.0
357 5.9 10.5 3.0 550.6 1828.8 0.0 0.0 0.0 0.0
357 11.9 8.9 7.5 791.3 1305.5 0.0 0.0 0.0 0.0
358 5.9 10.6 3.0 548.7 1819.1 0.0 0.0 0.0 0.0
358 11.9 8.9 7.5 791.3 1305.5 0.0 0.0 0.0 0.0
359 5.9 10.4 3.0 548.9 1828.3 0.0 0.0 0.0 0.0
359 11.9 8.9 7.5 791.3 1305.5 0.0 0.0 0.0 0.0
360 5.9 10.5 3.0 550.5 1842.8 0.0 0.0 0.0 0.0
360 11.9 8.9 7.5 791.3 1305.5 0.0 0.0 0.0 0.0
361 5.5 10.6 2.7 331.5 1848.0 0.0 4.9 0.0 0.0
361 11.9 9.7 7.5 790.5 1293.9 0.0 11.6 0.0 0.0
362 6.0 11.3 3.0 550.3 1871.9 0.0 8.1 0.0 0.0
362 11.9 9.7 7.5 790.5 1293.9 0.0 11.6 0.0 0.0
363 6.0 11.3 3.1 550.2 1883.7 0.0 8.1 0.0 0.0
363 11.9 9.7 7.5 790.5 1293.9 0.0 11.6 0.0 0.0
364 5.9 11.3 3.0 550.4 1872.1 0.0 8.1 0.0 0.0
364 11.9 9.7 7.5 790.5 1293.9 0.0 11.6 0.0 0.0
365 6.0 11.4 3.0 548.5 1853.3 0.0 8.0 0.0 0.0
365 11.9 9.7 7.5 790.5 1293.9 0.0 11.6 0.0 0.0
366 5.9 11.4 3.0 548.8 1837.3 0.0 8.1 0.0 0.0
366 11.9 9.7 7.5 790.5 1293.9 0.0 11.6 0.0 0.0
367 5.9 11.4 3.0 549.0 1866.6 0.0 8.1 0.0 0.0
367 11.9 9.7 7.5 790.5 1293.9 0.0 11.6 0.0 0.0
368 5.9 11.4 3.0 545.7 1875.4 0.0 8.1 0.0 0.0
368 11.9 9.7 7.5 790.5 1293.9 0.0 11.6 0.0 0.0
369 5.8 9.7 2.9 335.9 1856.4 0.0 2.3 0.0 0.0
369 11.9 9.1 7.5 791.1 1300.2 0.0 5.3 0.0 0.0
370 6.0 10.7 3.1 548.8 1872.3 0.0 3.7 0.0 0.0
370 11.9 9.1 7.5 791.1 1300.2 0.0 5.3 0.0 0.0
371 5.9 11.0 3.0 550.8 1873.3 0.0 3.7 0.0 0.0
371 11.9 9.1 7.5 791.1 1300.2 0.0 5.3 0.0 0.0
372 6.0 10.8 3.0 551.6 1883.0 0.0 3.7 0.0 0.0
372 11.9 9.1 7.5 791.1 1300.2 0.0 5.3 0.0 0.0
373 6.0 10.8 3.0 548.9 1852.6 0.0 3.7 0.0 0.0
373 11.9 9.1 7.5 791.1 1300.2 0.0 5.3 0.0 0.0
374 6.0 10.8 3.0 550.6 1832.5 0.0 3.7 0.0 0.0
374 11.9 9.1 7.5 791.1 1300.2 0.0 5.3 0.0 0.0
375 6.0 10.9 3.0 551.1 1859.4 0.0 3.7 0.0 0.0
375 11.9 9.1 7.5 791.1 1300.2 0.0 5.3 0.0 0.0
376 5.9 10.7 3.1 550.4 1875.0 0.0 3.7 0.0 0.0
376 11.9 9.1 7.5 791.1 1300.2 0.0 5.3 0.0 0.0
377 5.9 10.0 3.0 334.8 1824.5 0.0 4.3 0.0 0.0
377 11.9 9.7 7.5 790.5 1295.4 0.0 10.1 0.0 0.0
378 6.1 11.0 3.1 547.5 1841.6 0.0 7.0 0.0 0.0
378 11.9 9.7 7.5 790.5 1295.4 0.0 10.1 0.0 0.0
379 6.1 11.2 3.1 551.1 1840.3 0.0 7.0 0.0 0.0
379 11.9 9.7 7.5 790.5 1295.4 0.0 10.1 0.0 0.0
380 6.1 11.1 3.1 547.9 1833.5 0.0 7.0 0.0 0.0
380 11.9 9.7 7.5 790.5 1295.4 0.0 10.1 0.0 0.0
381 6.1 11.0 3.1 550.3 1821.3 0.0 7.0 0.0 0.0
381 11.9 9.7 7.5 790.5 1295.4 0.0 10.1 0.0 0.0
382 6.1 11.0 3.1 548.3 1824.2 0.0 7.0 0.0 0.0
382 11.9 9.7 7.5 790.5 1295.4 0.0 10.1 0.0 0.0
383 6.0 11.0 3.1 548.5 1836.8 0.0 7.0 0.0 0.0
383 11.9 9.7 7.5 790.5 1295.4 0.0 10.1 0.0 0.0
384 6.1 11.1 3.1 549.5 1861.4 0.0 7.0 0.0 0.0
384 11.9 9.7 7.5 790.5 1295.4 0.0 10.1 0.0 0.0
385 5.8 9.4 3.0 337.4 1863.8 0.0 1.8 0.0 0.0
385 11.9 9.0 7.5 791.1 1301.0 0.0 4.4 0.0 0.0
386 5.9 10.6 3.1 550.9 1875.7 0.0 3.1 0.0 0.0
386 11.9 9.0 7.5 791.1 1301.0 0.0 4.4 0.0 0.0
387 6.0 10.5 3.1 547.4 1867.0 0.0 3.1 0.0 0.0
387 11.9 9.0 7.5 791.1 1301.0 0.0 4.4 0.0 0.0
388 5.9 10.4 3.1 549.2 1859.5 0.0 3.1 0.0 0.0
388 11.9 9.0 7.5 791.1 1301.0 0.0 4.4 0.0 0.0
389 5.9 10.6 3.1 549.9 1843.1 0.0 3.1 0.0 0.0
389 11.9 9.0 7.5 791.1 1301.0 0.0 4.4 0.0 0.0
390 6.0 10.5 3.1 547.9 1843.5 0.0 3.1 0.0 0.0
390 11.9 9.0 7.5 791.1 1301.0 0.0 4.4 0.0 0.0
391 5.9 10.5 3.0 545.7 1864.3 0.0 3.1 0.0 0.0
391 11.9 9.0 7.5 791.1 1301.0 0.0 4.4 0.0 0.0
392 6.0 10.5 3.1 540.5 1905.5 0.0 3.1 0.0 0.0
392 11.9 9.0 7.5 791.1 1301.0 0.0 4.4 0.0 0.0
393 5.7 9.4 2.9 334.2 1843.9 0.0 3.7 0.0 0.0
393 11.9 8.9 7.5 791.3 1296.8 0.0 8.6 0.0 0.0
394 5.9 10.6 3.0 543.3 1858.4 0.0 6.0 0.0 0.0
394 11.9 8.9 7.5 791.3 1296.8 0.0 8.6 0.0 0.0
395 5.9 10.5 3.0 548.7 1865.2 0.0 6.0 0.0 0.0
395 11.9 8.9 7.5 791.3 1296.8 0.0 8.6 0.0 0.0
396 5.9 10.5 3.0 548.7 1842.3 0.0 6.0 0.0 0.0
396 11.9 8.9 7.5 791.3 1296.8 0.0 8.6 0.0 0.0
397 6.0 10.5 3.0 550.2 1829.6 0.0 6.0 0.0 0.0
397 11.9 8.9 7.5 791.3 1296.8 0.0 8.6 0.0 0.0
398 6.0 10.6 3.0 550.9 1826.2 0.0 6.0 0.0 0.0
398 11.9 8.9 7.5 791.3 1296.8 0.0 8.6 0.0 0.0
399 5.9 10.7 3.0 549.6 1857.1 0.0 6.0 0.0 0.0
399 11.9 8.9 7.5 791.3 1296.8 0.0 8.6 0.0 0.0
400 5.9 10.5 3.0 551.0 1871.9 0.0 6.0 0.0 0.0
400 11.9 8.9 7.5 791.3 1296.8 0.0 8.6 0.0 0.0
401 5.8 9.2 2.9 327.1 1855.2 0.0 2.9 0.0 0.0
401 11.9 8.6 7.5 791.6 1298.7 0.0 6.9 0.0 0.0
402 5.9 10.3 3.0 542.3 1870.0 0.0 4.8 0.0 0.0
402 11.9 8.6 7.5 791.6 1298.7 0.0 6.9 0.0 0.0
403 5.9 10.5 2.9 547.6 1857.6 0.0 4.8 0.0 0.0
403 11.9 8.6 7.5 791.6 1298.7 0.0 6.9 0.0 0.0
404 5.9 10.4 3.0 550.6 1856.9 0.0 4.8 0.0 0.0
404 11.9 8.6 7.5 791.6 1298.7 0.0 6.9 0.0 0.0
405 6.0 10.3 3.0 549.0 1849.0 0.0 4.8 0.0 0.0
405 11.9 8.6 7.5 791.6 1298.7 0.0 6.9 0.0 0.0
406 6.0 10.4 3.1 549.3 1839.4 0.0 4.8 0.0 0.0
406 11.9 8.6 7.5 791.6 1298.7 0.0 6.9 0.0 0.0
407 5.9 10.4 3.0 548.9 1892.3 0.0 4.8 0.0 0.0
407 11.9 8.6 7.5 791.6 1298.7 0.0 6.9 0.0 0.0
408 5.9 10.5 3.0 548.2 1874.9 0.0 4.8 0.0 0.0
408 11.9 8.6 7.5 791.6 1298.7 0.0 6.9 0.0 0.0
409 5.8 9.4 3.0 338.9 1848.1 0.0 5.0 0.0 0.0
409 11.9 9.0 7.5 791.2 1293.8 0.0 11.8 0.0 0.0
410 6.0 10.5 3.0 549.7 1863.1 0.0 8.2 0.0 0.0
410 11.9 9.0 7.5 791.2 1293.8 0.0 11.8 0.0 0.0
411 5.9 10.6 3.0 549.3 1853.9 0.0 8.2 0.0 0.0
411 11.9 9.0 7.5 791.2 1293.8 0.0 11.8 0.0 0.0
412 6.0 10.8 3.0 549.0 1854.3 0.0 8.2 0.0 0.0
412 11.9 9.0 7.5 791.2 1293.8 0.0 11.8 0.0 0.0
413 6.0 10.6 3.0 549.1 1847.2 0.0 8.2 0.0 0.0
413 11.9 9.0 7.5 791.2 1293.8 0.0 11.8 0.0 0.0
414 6.0 10.5 3.0 548.2 1839.2 0.0 8.1 0.0 0.0
414 11.9 9.0 7.5 791.2 1293.8 0.0 11.8 0.0 0.0
415 5.9 10.6 3.0 549.8 1854.9 0.0 8.2 0.0 0.0
415 11.9 9.0 7.5 791.2 1293.8 0.0 11.8 0.0 0.0
416 6.0 10.5 3.1 550.5 1891.7 0.0 8.2 0.0 0.0
416 11.9 9.0 7.5 791.2 1293.8 0.0 11.8 0.0 0.0
417 5.9 9.3 3.1 340.0 1853.1 0.0 3.7 0.0 0.0
417 11.9 9.0 7.5 791.2 1297.0 0.0 8.5 0.0 0.0
418 6.0 10.5 3.1 548.4 1866.9 0.0 5.9 0.0 0.0
418 11.9 9.0 7.5 791.2 1297.0 0.0 8.5 0.0 0.0
419 6.0 10.5 3.1 548.8 1859.0 0.0 5.9 0.0 0.0
419 11.9 9.0 7.5 791.2 1297.0 0.0 8.5 0.0 0.0
420 6.0 10.5 3.1 548.7 1852.9 0.0 5.9 0.0 0.0
420 11.9 9.0 7.5 791.2 1297.0 0.0 8.5 0.0 0.0
421 6.1 10.4 3.1 548.3 1841.0 0.0 5.9 0.0 0.0
421 11.9 9.0 7.5 791.2 1297.0 0.0 8.5 0.0 0.0
422 6.0 10.5 3.1 547.8 1836.4 0.0 5.9 0.0 0.0
422 11.9 9.0 7.5 791.2 1297.0 0.0 8.5 0.0 0.0
423 6.0 10.4 3.1 549.1 1892.8 0.0 5.9 0.0 0.0
423 11.9 9.0 7.5 791.2 1297.0 0.0 8.5 0.0 0.0
424 6.0 10.5 3.1 548.3 1876.7 0.0 5.9 0.0 0.0
424 11.9 9.0 7.5 791.2 1297.0 0.0 8.5 0.0 0.0
425 5.7 9.6 2.9 335.6 1852.5 0.0 4.1 0.0 0.0
425 11.9 9.3 7.5 790.9 1295.7 0.0 9.8 0.0 0.0
426 6.0 10.8 3.0 550.5 1868.5 0.0 6.8 0.0 0.0
426 11.9 9.3 7.5 790.9 1295.7 0.0 9.8 0.0 0.0
427 5.9 11.0 3.0 549.9 1880.2 0.0 6.8 0.0 0.0
427 11.9 9.3 7.5 790.9 1295.7 0.0 9.8 0.0 0.0
428 5.9 10.8 3.0 549.4 1853.2 0.0 6.8 0.0 0.0
428 11.9 9.3 7.5 790.9 1295.7 0.0 9.8 0.0 0.0
429 5.9 10.9 3.0 547.9 1856.4 0.0 6.8 0.0 0.0
429 11.9 9.3 7.5 790.9 1295.7 0.0 9.8 0.0 0.0
430 5.9 11.0 3.0 548.7 1832.9 0.0 6.8 0.0 0.0
430 11.9 9.3 7.5 790.9 1295.7 0.0 9.8 0.0 0.0
431 6.0 10.8 3.1 547.8 1872.3 0.0 6.8 0.0 0.0
431 11.9 9.3 7.5 790.9 1295.7 0.0 9.8 0.0 0.0
432 5.9 10.9 3.0 550.6 1881.9 0.0 6.8 0.0 0.0
432 11.9 9.3 7.5 790.9 1295.7 0.0 9.8 0.0 0.0
433 5.9 9.4 3.0 334.2 1857.6 0.0 2.8 0.0 0.0
433 11.9 8.9 7.5 791.3 1299.0 0.0 6.5 0.0 0.0
434 6.0 10.5 3.1 547.0 1883.4 0.0 4.5 0.0 0.0
434 11.9 8.9 7.5 791.3 1299.0 0.0 6.5 0.0 0.0
435 6.0 10.6 3.1 548.5 1857.4 0.0 4.6 0.0 0.0
435 11.9 8.9 7.5 791.3 1299.0 0.0 6.5 0.0 0.0
436 6.0 10.6 3.1 550.0 1862.6 0.0 4.5 0.0 0.0
436 11.9 8.9 7.5 791.3 1299.0 0.0 6.5 0.0 0.0
437 6.1 10.6 3.1 550.3 1842.8 0.0 4.5 0.0 0.0
437 11.9 8.9 7.5 791.3 1299.0 0.0 6.5 0.0 0.0
438 6.1 10.7 3.1 549.5 1849.6 0.0 4.5 0.0 0.0
438 11.9 8.9 7.5 791.3 1299.0 0.0 6.5 0.0 0.0
439 6.1 10.8 3.1 549.6 1860.7 0.0 4.5 0.0 0.0
439 11.9 8.9 7.5 791.3 1299.0 0.0 6.5 0.0 0.0
440 6.0 10.6 3.1 552.8 1870.5 0.0 4.5 0.0 0.0
440 11.9 8.9 7.5 791.3 1299.0 0.0 6.5 0.0 0.0
441 5.9 9.2 3.0 335.7 1813.6 0.0 4.9 0.0 0.0
441 11.9 9.0 7.5 791.2 1293.8 0.0 11.7 0.0 0.0
442 6.1 10.3 3.1 552.7 1828.8 0.0 8.1 0.0 0.0
442 11.9 9.0 7.5 791.2 1293.8 0.0 11.7 0.0 0.0
443 6.0 10.4 3.1 549.5 1822.0 0.0 8.1 0.0 0.0
443 11.9 9.0 7.5 791.2 1293.8 0.0 11.7 0.0 0.0
444 6.0 10.3 3.1 546.1 1821.2 0.0 8.1 0.0 0.0
444 11.9 9.0 7.5 791.2 1293.8 0.0 11.7 0.0 0.0
445 6.0 10.5 3.1 548.6 1806.1 0.0 8.1 0.0 0.0
445 11.9 9.0 7.5 791.2 1293.8 0.0 11.7 0.0 0.0
446 6.0 10.2 3.1 549.8 1793.8 0.0 8.1 0.0 0.0
446 11.9 9.0 7.5 791.2 1293.8 0.0 11.7 0.0 0.0
447 6.0 10.4 3.1 548.4 1811.0 0.0 8.1 0.0 0.0
447 11.9 9.0 7.5 791.2 1293.8 0.0 11.7 0.0 0.0
448 6.0 10.4 3.1 549.1 1834.4 0.0 8.1 0.0 0.0
448 11.9 9.0 7.5 791.2 1293.8 0.0 11.7 0.0 0.0
449 5.8 10.2 3.0 340.5 1864.4 0.0 3.1 0.0 0.0
449 11.9 9.7 7.5 790.5 1298.3 0.0 7.2 0.0 0.0
450 6.0 11.1 3.1 550.4 1881.3 0.0 5.0 0.0 0.0
450 11.9 9.7 7.5 790.5 1298.3 0.0 7.2 0.0 0.0
451 6.0 11.1 3.1 548.6 1876.0 0.0 5.0 0.0 0.0
451 11.9 9.7 7.5 790.5 1298.3 0.0 7.2 0.0 0.0
452 6.0 11.1 3.1 550.9 1871.1 0.0 5.0 0.0 0.0
452 11.9 9.7 7.5 790.5 1298.3 0.0 7.2 0.0 0.0
453 6.0 11.0 3.1 548.1 1890.8 0.0 5.0 0.0 0.0
453 11.9 9.7 7.5 790.5 1298.3 0.0 7.2 0.0 0.0
454 6.0 10.9 3.1 545.7 1845.3 0.0 5.0 0.0 0.0
454 11.9 9.7 7.5 790.5 1298.3 0.0 7.2 0.0 0.0
455 6.0 11.0 3.1 548.3 1891.8 0.0 5.0 0.0 0.0
455 11.9 9.7 7.5 790.5 1298.3 0.0 7.2 0.0 0.0
456 5.9 11.2 3.0 548.2 1895.5 0.0 5.0 0.0 0.0
456 11.9 9.7 7.5 790.5 1298.3 0.0 7.2 0.0 0.0
457 5.7 9.9 2.9 334.5 1868.2 0.0 2.1 0.0 0.0
457 11.9 9.3 7.5 790.9 1300.5 0.0 5.0 0.0 0.0
458 5.9 10.8 3.0 547.0 1888.2 0.0 3.5 0.0 0.0
458 11.9 9.3 7.5 790.9 1300.5 0.0 5.0 0.0 0.0
459 5.9 11.0 3.0 549.5 1861.0 0.0 3.5 0.0 0.0
459 11.9 9.3 7.5 790.9 1300.5 0.0 5.0 0.0 0.0
460 5.9 11.0 3.0 549.5 1864.9 0.0 3.5 0.0 0.0
460 11.9 9.3 7.5 790.9 1300.5 0.0 5.0 0.0 0.0
461 5.9 10.9 3.0 549.9 1875.1 0.0 3.5 0.0 0.0
461 11.9 9.3 7.5 790.9 1300.5 0.0 5.0 0.0 0.0
462 5.9 11.0 3.0 551.5 1836.9 0.0 3.5 0.0 0.0
462 11.9 9.3 7.5 790.9 1300.5 0.0 5.0 0.0 0.0
463 5.9 11.0 3.0 548.4 1870.9 0.0 3.5 0.0 0.0
463 11.9 9.3 7.5 790.9 1300.5 0.0 5.0 0.0 0.0
464 5.9 10.9 3.0 549.0 1888.3 0.0 3.5 0.0 0.0
464 11.9 9.3 7.5 790.9 1300.5 0.0 5.0 0.0 0.0
465 5.7 9.3 2.9 334.6 1836.1 0.0 3.9 0.0 0.0
465 11.9 8.6 7.5 791.6 1296.4 0.0 9.1 0.0 0.0
466 5.9 10.4 3.0 550.7 1852.4 0.0 6.3 0.0 0.0
466 11.9 8.6 7.5 791.6 1296.4 0.0 9.1 0.0 0.0
467 6.0 10.3 3.1 550.6 1858.1 0.0 6.3 0.0 0.0
467 11.9 8.6 7.5 791.6 1296.4 0.0 9.1 0.0 0.0
468 5.9 10.4 3.0 549.0 1853.6 0.0 6.3 0.0 0.0
468 11.9 8.6 7.5 791.6 1296.4 0.0 9.1 0.0 0.0
469 5.8 10.3 2.9 533.2 1868.6 0.0 6.3 0.0 0.0
469 11.9 8.6 7.5 791.6 1296.4 0.0 9.1 0.0 0.0
470 6.0 10.3 3.1 548.5 1822.3 0.0 6.3 0.0 0.0
470 11.9 8.6 7.5 791.6 1296.4 0.0 9.1 0.0 0.0
471 6.0 10.4 3.1 548.8 1853.6 0.0 6.3 0.0 0.0
471 11.9 8.6 7.5 791.6 1296.4 0.0 9.1 0.0 0.0
472 5.9 10.5 3.0 549.3 1870.5 0.0 6.3 0.0 0.0
472 11.9 8.6 7.5 791.6 1296.4 0.0 9.1 0.0 0.0
473 5.7 9.4 2.9 339.6 1837.4 0.0 5.0 0.0 0.0
473 11.9 8.7 7.5 791.5 1293.7 0.0 11.7 0.0 0.0
474 5.9 10.5 3.0 547.2 1846.8 0.0 8.1 0.0 0.0
474 11.9 8.7 7.5 791.5 1293.7 0.0 11.7 0.0 0.0
475 5.8 10.6 2.9 546.9 1844.8 0.0 8.2 0.0 0.0
475 11.9 8.7 7.5 791.5 1293.7 0.0 11.7 0.0 0.0
476 5.9 10.3 3.0 546.8 1848.7 0.0 8.1 0.0 0.0
476 11.9 8.7 7.5 791.5 1293.7 0.0 11.7 0.0 0.0
477 5.8 10.5 2.9 537.6 1830.3 0.0 8.0 0.0 0.0
477 11.9 8.7 7.5 791.5 1293.7 0.0 11.7 0.0 0.0
478 5.9 10.3 3.0 549.4 1817.7 0.0 8.1 0.0 0.0
478 11.9 8.7 7.5 791.5 1293.7 0.0 11.7 0.0 0.0
479 5.8 10.5 2.9 547.9 1846.7 0.0 8.2 0.0 0.0
479 11.9 8.7 7.5 791.5 1293.7 0.0 11.7 0.0 0.0
480 5.9 10.5 3.0 549.8 1863.1 0.0 8.1 0.0 0.0
480 11.9 8.7 7.5 791.5 1293.7 0.0 11.7 0.0 0.0
481 5.9 9.2 3.0 335.2 1855.5 0.0 3.0 0.0 0.0
481 11.9 8.7 7.5 791.5 1298.5 0.0 7.0 0.0 0.0
482 6.0 10.3 3.1 547.8 1860.2 0.0 4.8 0.0 0.0
482 11.9 8.7 7.5 791.5 1298.5 0.0 7.0 0.0 0.0
483 6.0 10.4 3.1 547.6 1852.1 0.0 4.8 0.0 0.0
483 11.9 8.7 7.5 791.5 1298.5 0.0 7.0 0.0 0.0
484 6.1 10.2 3.1 550.7 1844.3 0.0 4.8 0.0 0.0
484 11.9 8.7 7.5 791.5 1298.5 0.0 7.0 0.0 0.0
485 6.0 10.3 3.1 549.3 1837.2 0.0 4.8 0.0 0.0
485 11.9 8.7 7.5 791.5 1298.5 0.0 7.0 0.0 0.0
486 6.1 10.4 3.1 549.6 1826.8 0.0 4.8 0.0 0.0
486 11.9 8.7 7.5 791.5 1298.5 0.0 7.0 0.0 0.0
487 6.1 10.2 3.1 548.4 1850.4 0.0 4.8 0.0 0.0
487 11.9 8.7 7.5 791.5 1298.5 0.0 7.0 0.0 0.0
488 6.1 10.3 3.1 542.0 1860.9 0.0 4.8 0.0 0.0
488 11.9 8.7 7.5 791.5 1298.5 0.0 7.0 0.0 0.0
489 5.7 9.4 2.9 335.8 1838.5 0.0 3.4 0.0 0.0
489 11.9 9.1 7.5 791.1 1297.5 0.0 8.1 0.0 0.0
490 5.9 10.5 3.0 548.3 1858.9 0.0 5.6 0.0 0.0
490 11.9 9.1 7.5 791.1 1297.5 0.0 8.1 0.0 0.0
491 5.8 10.6 2.9 550.0 1849.8 0.0 5.6 0.0 0.0
491 11.9 9.1 7.5 791.1 1297.5 0.0 8.1 0.0 0.0
492 5.9 10.4 3.0 548.9 1844.5 0.0 5.6 0.0 0.0
492 11.9 9.1 7.5 791.1 1297.5 0.0 8.1 0.0 0.0
493 5.9 10.6 3.0 549.4 1829.4 0.0 5.6 0.0 0.0
493 11.9 9.1 7.5 791.1 1297.5 0.0 8.1 0.0 0.0
494 5.9 10.7 2.9 548.4 1818.3 0.0 5.6 0.0 0.0
494 11.9 9.1 7.5 791.1 1297.5 0.0 8.1 0.0 0.0
495 5.8 10.7 2.9 549.1 1847.2 0.0 5.6 0.0 0.0
495 11.9 9.1 7.5 791.1 1297.5 0.0 8.1 0.0 0.0
496 5.8 10.5 2.9 549.4 1862.8 0.0 5.6 0.0 0.0
496 11.9 9.1 7.5 791.1 1297.5 0.0 8.1 0.0 0.0
497 5.8 19.7 2.9 331.7 1807.3 0.0 4.9 0.0 0.0
497 11.9 16.9 7.5 783.3 1293.8 0.0 11.7 0.0 0.0
498 5.9 20.0 2.9 544.0 1797.6 0.0 8.1 0.0 0.0
498 11.9 16.9 7.5 783.3 1293.8 0.0 11.7 0.0 0.0
499 5.8 19.9 2.9 542.8 1790.2 0.0 8.1 0.0 0.0
499 11.9 16.9 7.5 783.3 1293.8 0.0 11.7 0.0 0.0
500 5.8 19.9 2.9 542.7 1783.3 0.0 8.1 0.0 0.0
500 11.9 16.9 7.5 783.3 1293.8 0.0 11.7 0.0 0.0
501 5.9 19.8 3.0 540.8 1797.4 0.0 8.1 0.0 0.0
501 11.9 16.9 7.5 783.3 1293.8 0.0 11.7 0.0 0.0
502 5.8 20.1 2.9 546.3 1785.3 0.0 8.0 0.0 0.0
502 11.9 16.9 7.5 783.3 1293.8 0.0 11.7 0.0 0.0
503 5.9 19.8 3.0 542.8 1784.2 0.0 8.1 0.0 0.0
503 11.9 16.9 7.5 783.3 1293.8 0.0 11.7 0.0 0.0
504 5.8 19.8 3.0 545.0 1813.4 0.0 8.1 0.0 0.0
504 11.9 16.9 7.5 783.3 1293.8 0.0 11.7 0.0 0.0
505 5.8 9.6 3.0 329.9 1851.0 0.0 3.4 0.0 0.0
505 11.9 9.1 7.5 791.0 1297.4 0.0 8.1 0.0 0.0
506 5.9 11.0 3.0 551.4 1866.7 0.0 5.6 0.0 0.0
506 11.9 9.1 7.5 791.0 1297.4 0.0 8.1 0.0 0.0
507 5.8 10.9 2.9 546.7 1856.8 0.0 5.5 0.0 0.0
507 11.9 9.1 7.5 791.0 1297.4 0.0 8.1 0.0 0.0
508 5.8 11.0 3.0 549.1 1857.1 0.0 5.6 0.0 0.0
508 11.9 9.1 7.5 791.0 1297.4 0.0 8.1 0.0 0.0
509 5.8 11.0 2.9 548.8 1857.7 0.0 5.6 0.0 0.0
509 11.9 9.1 7.5 791.0 1297.4 0.0 8.1 0.0 0.0
510 5.9 10.6 3.0 549.6 1841.0 0.0 5.6 0.0 0.0
510 11.9 9.1 7.5 791.0 1297.4 0.0 8.1 0.0 0.0
511 5.8 11.0 2.9 548.9 1852.5 0.0 5.6 0.0 0.0
511 11.9 9.1 7.5 791.0 1297.4 0.0 8.1 0.0 0.0
512 5.8 11.0 2.9 549.6 1891.0 0.0 5.6 0.0 0.0
512 11.9 9.1 7.5 791.0 1297.4 0.0 8.1 0.0 0.0
513 5.7 9.5 2.9 334.5 1831.6 0.0 4.3 0.0 0.0
513 11.9 8.9 7.5 791.3 1295.5 0.0 10.1 0.0 0.0
514 5.9 10.4 3.0 547.6 1854.5 0.0 7.0 0.0 0.0
514 11.9 8.9 7.5 791.3 1295.5 0.0 10.1 0.0 0.0
515 5.9 10.6 3.0 548.0 1853.6 0.0 7.0 0.0 0.0
515 11.9 8.9 7.5 791.3 1295.5 0.0 10.1 0.0 0.0
516 5.9 10.5 3.0 549.7 1851.4 0.0 7.0 0.0 0.0
516 11.9 8.9 7.5 791.3 1295.5 0.0 10.1 0.0 0.0
517 5.9 10.5 3.0 550.2 1844.6 0.0 7.0 0.0 0.0
517 11.9 8.9 7.5 791.3 1295.5 0.0 10.1 0.0 0.0
518 5.9 10.5 3.0 551.3 1815.5 0.0 7.0 0.0 0.0
518 11.9 8.9 7.5 791.3 1295.5 0.0 10.1 0.0 0.0
519 5.9 10.5 2.9 548.7 1841.7 0.0 7.0 0.0 0.0
519 11.9 8.9 7.5 791.3 1295.5 0.0 10.1 0.0 0.0
520 5.9 10.5 3.0 548.0 1854.8 0.0 7.0 0.0 0.0
520 11.9 8.9 7.5 791.3 1295.5 0.0 10.1 0.0 0.0
521 6.0 20.0 3.0 327.3 1843.5 0.0 3.7 0.0 0.0
521 11.9 17.5 7.5 782.7 1296.7 0.0 8.8 0.0 0.0
522 6.0 20.2 3.0 540.5 1856.1 0.0 5.8 0.0 0.0
522 11.9 17.5 7.5 782.7 1296.7 0.0 8.8 0.0 0.0
523 6.1 20.2 3.1 543.5 1847.0 0.0 6.1 0.0 0.0
523 11.9 17.5 7.5 782.7 1296.7 0.0 8.8 0.0 0.0
524 6.0 20.2 3.0 540.4 1845.8 0.0 6.1 0.0 0.0
524 11.9 17.5 7.5 782.7 1296.7 0.0 8.8 0.0 0.0
525 6.0 20.1 3.0 539.9 1834.8 0.0 6.0 0.0 0.0
525 11.9 17.5 7.5 782.7 1296.7 0.0 8.8 0.0 0.0
526 6.0 20.2 3.0 540.6 1822.8 0.0 6.1 0.0 0.0
526 11.9 17.5 7.5 782.7 1296.7 0.0 8.8 0.0 0.0
527 6.0 20.3 3.0 540.8 1851.7 0.0 6.1 0.0 0.0
527 11.9 17.5 7.5 782.7 1296.7 0.0 8.8 0.0 0.0
528 6.0 20.2 3.0 541.2 1889.2 0.0 6.1 0.0 0.0
528 11.9 17.5 7.5 782.7 1296.7 0.0 8.8 0.0 0.0
529 5.7 19.6 2.9 329.0 1844.3 0.0 3.1 0.0 0.0
529 11.9 16.8 7.5 783.3 1298.1 0.0 7.4 0.0 0.0
530 5.8 19.8 2.9 544.6 1859.8 0.0 5.1 0.0 0.0
530 11.9 16.8 7.5 783.3 1298.1 0.0 7.4 0.0 0.0
531 5.8 19.4 2.9 544.7 1853.8 0.0 5.1 0.0 0.0
531 11.9 16.8 7.5 783.3 1298.1 0.0 7.4 0.0 0.0
532 5.8 19.5 2.9 543.2 1853.3 0.0 5.1 0.0 0.0
532 11.9 16.8 7.5 783.3 1298.1 0.0 7.4 0.0 0.0
533 5.8 19.7 2.9 544.9 1846.9 0.0 5.1 0.0 0.0
533 11.9 16.8 7.5 783.3 1298.1 0.0 7.4 0.0 0.0
534 5.8 19.6 2.9 539.8 1823.2 0.0 5.1 0.0 0.0
534 11.9 16.8 7.5 783.3 1298.1 0.0 7.4 0.0 0.0
535 5.8 19.7 2.9 542.4 1847.0 0.0 5.1 0.0 0.0
535 11.9 16.8 7.5 783.3 1298.1 0.0 7.4 0.0 0.0
536 5.8 19.6 2.9 539.5 1869.3 0.0 5.1 0.0 0.0
536 11.9 16.8 7.5 783.3 1298.1 0.0 7.4 0.0 0.0
537 5.9 19.6 3.0 330.3 1861.4 0.0 4.4 0.0 0.0
537 11.9 17.1 7.5 783.1 1295.2 0.0 10.3 0.0 0.0
538 6.0 20.2 3.0 547.3 1878.2 0.0 7.1 0.0 0.0
538 11.9 17.1 7.5 783.1 1295.2 0.0 10.3 0.0 0.0
539 6.0 19.9 3.0 542.1 1867.6 0.0 7.2 0.0 0.0
539 11.9 17.1 7.5 783.1 1295.2 0.0 10.3 0.0 0.0
540 6.0 20.1 3.0 541.1 1900.6 0.0 7.1 0.0 0.0
540 11.9 17.1 7.5 783.1 1295.2 0.0 10.3 0.0 0.0
541 6.0 19.9 3.0 543.6 1854.3 0.0 7.2 0.0 0.0
541 11.9 17.1 7.5 783.1 1295.2 0.0 10.3 0.0 0.0
542 6.0 19.8 3.0 542.5 1839.1 0.0 7.2 0.0 0.0
542 11.9 17.1 7.5 783.1 1295.2 0.0 10.3 0.0 0.0
543 6.0 19.9 3.0 543.5 1865.8 0.0 7.2 0.0 0.0
543 11.9 17.1 7.5 783.1 1295.2 0.0 10.3 0.0 0.0
544 6.0 19.9 3.0 544.9 1879.8 0.0 7.2 0.0 0.0
544 11.9 17.1 7.5 783.1 1295.2 0.0 10.3 0.0 0.0
545 5.9 19.6 3.0 331.4 1841.2 0.0 3.9 0.0 0.0
545 12.0 17.0 7.5 783.2 1296.5 0.0 9.0 0.0 0.0
546 6.0 20.2 3.0 545.1 1855.8 0.0 6.3 0.0 0.0
546 12.0 17.0 7.5 783.2 1296.5 0.0 9.0 0.0 0.0
547 6.0 19.9 3.0 543.9 1878.9 0.0 6.3 0.0 0.0
547 12.0 17.0 7.5 783.2 1296.5 0.0 9.0 0.0 0.0
548 6.0 19.9 3.1 545.0 1850.6 0.0 6.3 0.0 0.0
548 12.0 17.0 7.5 783.2 1296.5 0.0 9.0 0.0 0.0
549 6.0 19.7 3.1 544.1 1834.1 0.0 6.3 0.0 0.0
549 12.0 17.0 7.5 783.2 1296.5 0.0 9.0 0.0 0.0
550 6.0 20.0 3.0 543.7 1833.3 0.0 6.3 0.0 0.0
550 12.0 17.0 7.5 783.2 1296.5 0.0 9.0 0.0 0.0
551 6.0 20.0 3.0 544.6 1847.2 0.0 6.3 0.0 0.0
551 12.0 17.0 7.5 783.2 1296.5 0.0 9.0 0.0 0.0
552 6.0 19.9 3.0 545.5 1868.0 0.0 6.3 0.0 0.0
552 12.0 17.0 7.5 783.2 1296.5 0.0 9.0 0.0 0.0
553 5.7 19.4 2.9 331.7 1809.2 0.0 2.3 0.0 0.0
553 11.9 17.7 7.5 782.6 1300.0 0.0 5.5 0.0 0.0
554 5.9 20.7 3.0 543.1 1785.8 0.0 3.8 0.0 0.0
554 11.9 17.7 7.5 782.6 1300.0 0.0 5.5 0.0 0.0
555 5.9 20.7 3.0 543.0 1751.0 0.0 3.8 0.0 0.0
555 11.9 17.7 7.5 782.6 1300.0 0.0 5.5 0.0 0.0
556 5.9 20.5 3.0 544.5 1769.2 0.0 3.8 0.0 0.0
556 11.9 17.7 7.5 782.6 1300.0 0.0 5.5 0.0 0.0
557 5.9 20.7 3.0 543.6 1799.9 0.0 3.8 0.0 0.0
557 11.9 17.7 7.5 782.6 1300.0 0.0 5.5 0.0 0.0
558 5.9 20.8 3.0 542.9 1791.6 0.0 3.8 0.0 0.0
558 11.9 17.7 7.5 782.6 1300.0 0.0 5.5 0.0 0.0
559 5.9 20.9 2.9 542.8 1793.0 0.0 3.8 0.0 0.0
559 11.9 17.7 7.5 782.6 1300.0 0.0 5.5 0.0 0.0
560 5.9 20.8 2.9 545.2 1790.2 0.0 3.8 0.0 0.0
560 11.9 17.7 7.5 782.6 1300.0 0.0 5.5 0.0 0.0
561 5.7 9.6 2.9 333.4 1847.3 0.0 3.4 0.0 0.0
561 11.9 9.6 7.5 790.5 1297.3 0.0 8.2 0.0 0.0
562 5.8 10.8 2.9 548.6 1855.1 0.0 5.7 0.0 0.0
562 11.9 9.6 7.5 790.5 1297.3 0.0 8.2 0.0 0.0
563 5.8 10.8 2.9 548.3 1869.5 0.0 5.7 0.0 0.0
563 11.9 9.6 7.5 790.5 1297.3 0.0 8.2 0.0 0.0
564 5.9 10.8 3.0 547.9 1870.7 0.0 5.7 0.0 0.0
564 11.9 9.6 7.5 790.5 1297.3 0.0 8.2 0.0 0.0
565 5.9 10.9 3.0 548.7 1829.6 0.0 5.6 0.0 0.0
565 11.9 9.6 7.5 790.5 1297.3 0.0 8.2 0.0 0.0
566 5.8 10.8 2.9 550.9 1831.8 0.0 5.7 0.0 0.0
566 11.9 9.6 7.5 790.5 1297.3 0.0 8.2 0.0 0.0
567 5.8 11.0 3.0 548.3 1867.7 0.0 5.7 0.0 0.0
567 11.9 9.6 7.5 790.5 1297.3 0.0 8.2 0.0 0.0
568 5.8 11.0 3.0 549.9 1882.9 0.0 5.7 0.0 0.0
568 11.9 9.6 7.5 790.5 1297.3 0.0 8.2 0.0 0.0
569 5.3 10.0 2.5 278.0 1849.5 0.0 2.1 0.0 0.0
569 11.9 9.8 7.5 790.4 1299.7 0.0 5.7 0.0 0.0
570 5.4 11.3 2.5 549.3 1869.4 0.0 4.0 0.0 0.0
570 11.9 9.8 7.5 790.4 1299.7 0.0 5.7 0.0 0.0
571 5.8 10.6 2.9 548.2 1865.0 0.0 4.0 0.0 0.0
571 11.9 9.8 7.5 790.4 1299.7 0.0 5.7 0.0 0.0
572 5.4 11.3 2.5 546.7 1892.8 0.0 4.0 0.0 0.0
572 11.9 9.8 7.5 790.4 1299.7 0.0 5.7 0.0 0.0
573 5.4 11.2 2.5 549.3 1848.5 0.0 4.0 0.0 0.0
573 11.9 9.8 7.5 790.4 1299.7 0.0 5.7 0.0 0.0
574 5.5 11.1 2.5 546.5 1840.3 0.0 4.0 0.0 0.0
574 11.9 9.8 7.5 790.4 1299.7 0.0 5.7 0.0 0.0
575 5.5 11.1 2.6 548.6 1857.8 0.0 4.0 0.0 0.0
575 11.9 9.8 7.5 790.4 1299.7 0.0 5.7 0.0 0.0
576 5.4 11.1 2.5 548.9 1880.9 0.0 4.0 0.0 0.0
576 11.9 9.8 7.5 790.4 1299.7 0.0 5.7 0.0 0.0
577 5.7 9.3 2.9 330.0 1854.9 0.0 3.2 0.0 0.0
577 12.0 8.9 7.5 791.3 1298.0 0.0 7.5 0.0 0.0
578 5.8 10.5 2.9 549.0 1865.9 0.0 5.2 0.0 0.0
578 12.0 8.9 7.5 791.3 1298.0 0.0 7.5 0.0 0.0
579 5.8 10.3 2.9 548.3 1864.6 0.0 5.2 0.0 0.0
579 12.0 8.9 7.5 791.3 1298.0 0.0 7.5 0.0 0.0
580 5.8 10.5 2.9 550.3 1857.9 0.0 5.2 0.0 0.0
580 12.0 8.9 7.5 791.3 1298.0 0.0 7.5 0.0 0.0
581 5.9 10.2 3.0 550.3 1844.8 0.0 5.2 0.0 0.0
581 12.0 8.9 7.5 791.3 1298.0 0.0 7.5 0.0 0.0
582 5.8 10.4 2.9 550.0 1860.1 0.0 5.2 0.0 0.0
582 12.0 8.9 7.5 791.3 1298.0 0.0 7.5 0.0 0.0
583 5.8 10.3 2.9 547.7 1870.2 0.0 5.2 0.0 0.0
583 12.0 8.9 7.5 791.3 1298.0 0.0 7.5 0.0 0.0
584 5.8 10.5 2.9 548.6 1878.6 0.0 5.2 0.0 0.0
584 12.0 8.9 7.5 791.3 1298.0 0.0 7.5 0.0 0.0
585 5.7 9.4 2.9 336.8 1855.9 0.0 2.3 0.0 0.0
585 11.9 9.2 7.5 791.0 1300.0 0.0 5.4 0.0 0.0
586 5.8 10.6 2.9 549.8 1865.1 0.0 3.8 0.0 0.0
586 11.9 9.2 7.5 791.0 1300.0 0.0 5.4 0.0 0.0
587 5.8 10.7 2.9 548.3 1850.1 0.0 3.8 0.0 0.0
587 11.9 9.2 7.5 791.0 1300.0 0.0 5.4 0.0 0.0
588 5.8 10.6 2.9 546.0 1846.1 0.0 3.8 0.0 0.0
588 11.9 9.2 7.5 791.0 1300.0 0.0 5.4 0.0 0.0
589 5.8 10.7 3.0 549.8 1839.8 0.0 3.8 0.0 0.0
589 11.9 9.2 7.5 791.0 1300.0 0.0 5.4 0.0 0.0
590 5.8 10.6 2.9 549.2 1833.1 0.0 3.8 0.0 0.0
590 11.9 9.2 7.5 791.0 1300.0 0.0 5.4 0.0 0.0
591 5.8 10.7 2.9 547.9 1845.9 0.0 3.8 0.0 0.0
591 11.9 9.2 7.5 791.0 1300.0 0.0 5.4 0.0 0.0
592 5.8 10.7 2.9 547.9 1856.8 0.0 3.8 0.0 0.0
592 11.9 9.2 7.5 791.0 1300.0 0.0 5.4 0.0 0.0
593 5.7 9.3 2.9 335.1 1847.4 0.0 2.5 0.0 0.0
593 11.9 9.2 7.5 791.0 1299.5 0.0 6.0 0.0 0.0
594 5.9 10.5 3.0 546.4 1862.3 0.0 4.2 0.0 0.0
594 11.9 9.2 7.5 791.0 1299.5 0.0 6.0 0.0 0.0
595 5.9 10.4 3.0 547.8 1873.1 0.0 4.2 0.0 0.0
595 11.9 9.2 7.5 791.0 1299.5 0.0 6.0 0.0 0.0
596 5.9 10.7 3.0 547.0 1845.6 0.0 4.2 0.0 0.0
596 11.9 9.2 7.5 791.0 1299.5 0.0 6.0 0.0 0.0
597 5.8 10.5 2.9 549.3 1836.4 0.0 4.2 0.0 0.0
597 11.9 9.2 7.5 791.0 1299.5 0.0 6.0 0.0 0.0
598 5.9 10.7 2.9 550.4 1832.7 0.0 4.2 0.0 0.0
598 11.9 9.2 7.5 791.0 1299.5 0.0 6.0 0.0 0.0
599 5.9 10.5 3.0 546.3 1860.6 0.0 4.2 0.0 0.0
599 11.9 9.2 7.5 791.0 1299.5 0.0 6.0 0.0 0.0
600 5.9 10.6 3.0 551.5 1861.3 0.0 4.2 0.0 0.0
600 11.9 9.2 7.5 791.0 1299.5 0.0 6.0 0.0 0.0
601 5.7 9.6 2.9 333.0 1857.2 0.0 4.1 0.0 0.0
601 11.9 9.3 7.5 790.8 1295.9 0.0 9.5 0.0 0.0
602 5.9 10.9 3.0 549.4 1870.5 0.0 6.6 0.0 0.0
602 11.9 9.3 7.5 790.8 1295.9 0.0 9.5 0.0 0.0
603 5.9 10.9 2.9 550.9 1861.1 0.0 6.6 0.0 0.0
603 11.9 9.3 7.5 790.8 1295.9 0.0 9.5 0.0 0.0
604 5.8 10.9 2.9 545.3 1858.3 0.0 6.6 0.0 0.0
604 11.9 9.3 7.5 790.8 1295.9 0.0 9.5 0.0 0.0
605 5.9 11.0 3.0 551.6 1875.7 0.0 6.6 0.0 0.0
605 11.9 9.3 7.5 790.8 1295.9 0.0 9.5 0.0 0.0
606 5.9 11.0 2.9 549.4 1838.4 0.0 6.6 0.0 0.0
606 11.9 9.3 7.5 790.8 1295.9 0.0 9.5 0.0 0.0
607 5.9 10.9 2.9 548.2 1876.5 0.0 6.6 0.0 0.0
607 11.9 9.3 7.5 790.8 1295.9 0.0 9.5 0.0 0.0
608 5.9 10.9 3.0 549.8 1880.6 0.0 6.6 0.0 0.0
608 11.9 9.3 7.5 790.8 1295.9 0.0 9.5 0.0 0.0
609 5.8 9.2 3.0 332.2 1859.3 0.0 3.7 0.0 0.0
609 11.9 9.0 7.5 791.2 1296.7 0.0 8.9 0.0 0.0
610 5.9 10.4 3.0 550.6 1879.0 0.0 6.2 0.0 0.0
610 11.9 9.0 7.5 791.2 1296.7 0.0 8.9 0.0 0.0
611 5.9 10.4 3.0 547.0 1865.1 0.0 6.2 0.0 0.0
611 11.9 9.0 7.5 791.2 1296.7 0.0 8.9 0.0 0.0
612 5.9 10.3 3.0 551.3 1873.9 0.0 6.2 0.0 0.0
612 11.9 9.0 7.5 791.2 1296.7 0.0 8.9 0.0 0.0
613 5.8 10.4 2.9 528.1 1868.2 0.0 6.0 0.0 0.0
613 11.9 9.0 7.5 791.2 1296.7 0.0 8.9 0.0 0.0
614 5.9 10.4 3.0 547.6 1838.3 0.0 6.2 0.0 0.0
614 11.9 9.0 7.5 791.2 1296.7 0.0 8.9 0.0 0.0
615 5.9 10.6 3.0 548.1 1860.0 0.0 6.2 0.0 0.0
615 11.9 9.0 7.5 791.2 1296.7 0.0 8.9 0.0 0.0
616 5.8 10.4 3.0 550.2 1875.5 0.0 6.1 0.0 0.0
616 11.9 9.0 7.5 791.2 1296.7 0.0 8.9 0.0 0.0
617 5.9 19.8 3.0 327.9 1860.3 0.0 4.9 0.0 0.0
617 11.9 17.1 7.5 783.1 1294.0 0.0 11.6 0.0 0.0
618 6.0 20.3 3.0 545.0 1895.3 0.0 8.0 0.0 0.0
618 11.9 17.1 7.5 783.1 1294.0 0.0 11.6 0.0 0.0
619 5.9 20.1 3.0 542.5 1890.6 0.0 8.0 0.0 0.0
619 11.9 17.1 7.5 783.1 1294.0 0.0 11.6 0.0 0.0
620 6.0 20.0 3.0 543.7 1855.0 0.0 8.0 0.0 0.0
620 11.9 17.1 7.5 783.1 1294.0 0.0 11.6 0.0 0.0
621 5.9 20.3 3.0 543.4 1843.3 0.0 8.0 0.0 0.0
621 11.9 17.1 7.5 783.1 1294.0 0.0 11.6 0.0 0.0
622 6.0 20.0 3.0 541.4 1832.1 0.0 8.0 0.0 0.0
622 11.9 17.1 7.5 783.1 1294.0 0.0 11.6 0.0 0.0
623 6.0 19.9 3.1 544.3 1869.9 0.0 8.1 0.0 0.0
623 11.9 17.1 7.5 783.1 1294.0 0.0 11.6 0.0 0.0
624 5.9 20.1 3.0 547.7 1876.1 0.0 8.0 0.0 0.0
624 11.9 17.1 7.5 783.1 1294.0 0.0 11.6 0.0 0.0
625 5.6 9.4 2.9 325.6 1835.2 0.0 4.8 0.0 0.0
625 11.9 9.1 7.5 791.1 1293.8 0.0 11.6 0.0 0.0
626 5.9 10.5 2.9 550.3 1851.9 0.0 8.1 0.0 0.0
626 11.9 9.1 7.5 791.1 1293.8 0.0 11.6 0.0 0.0
627 5.9 10.4 3.0 547.1 1858.1 0.0 8.1 0.0 0.0
627 11.9 9.1 7.5 791.1 1293.8 0.0 11.6 0.0 0.0
628 5.9 10.4 3.0 547.2 1862.9 0.0 8.1 0.0 0.0
628 11.9 9.1 7.5 791.1 1293.8 0.0 11.6 0.0 0.0
629 5.8 10.6 2.9 550.3 1846.4 0.0 8.1 0.0 0.0
629 11.9 9.1 7.5 791.1 1293.8 0.0 11.6 0.0 0.0
630 5.8 10.5 3.0 548.3 1830.6 0.0 8.0 0.0 0.0
630 11.9 9.1 7.5 791.1 1293.8 0.0 11.6 0.0 0.0
631 5.9 10.6 3.0 548.4 1849.0 0.0 8.0 0.0 0.0
631 11.9 9.1 7.5 791.1 1293.8 0.0 11.6 0.0 0.0
632 5.8 10.5 3.0 549.5 1888.5 0.0 8.1 0.0 0.0
632 11.9 9.1 7.5 791.1 1293.8 0.0 11.6 0.0 0.0
633 5.8 9.6 3.0 334.4 1836.1 0.0 3.6 0.0 0.0
633 12.0 9.5 7.5 790.7 1297.1 0.0 8.4 0.0 0.0
634 5.9 10.7 3.0 549.9 1854.4 0.0 5.9 0.0 0.0
634 12.0 9.5 7.5 790.7 1297.1 0.0 8.4 0.0 0.0
635 5.9 11.0 3.0 548.3 1863.9 0.0 5.9 0.0 0.0
635 12.0 9.5 7.5 790.7 1297.1 0.0 8.4 0.0 0.0
636 5.9 10.8 3.0 547.9 1840.9 0.0 5.9 0.0 0.0
636 12.0 9.5 7.5 790.7 1297.1 0.0 8.4 0.0 0.0
637 5.9 10.8 2.9 544.8 1846.2 0.0 5.9 0.0 0.0
637 12.0 9.5 7.5 790.7 1297.1 0.0 8.4 0.0 0.0
638 5.9 10.8 3.0 549.6 1818.8 0.0 5.9 0.0 0.0
638 12.0 9.5 7.5 790.7 1297.1 0.0 8.4 0.0 0.0
639 5.9 11.1 3.0 548.3 1861.1 0.0 5.9 0.0 0.0
639 12.0 9.5 7.5 790.7 1297.1 0.0 8.4 0.0 0.0
640 5.9 10.8 3.0 548.8 1861.0 0.0 5.8 0.0 0.0
640 12.0 9.5 7.5 790.7 1297.1 0.0 8.4 0.0 0.0
641 6.0 9.2 3.0 332.7 1850.6 0.0 4.9 0.0 0.0
641 11.9 9.0 7.5 791.2 1293.8 0.0 11.7 0.0 0.0
642 6.0 10.4 3.0 546.5 1875.5 0.0 8.0 0.0 0.0
642 11.9 9.0 7.5 791.2 1293.8 0.0 11.7 0.0 0.0
643 6.1 10.4 3.0 544.3 1856.5 0.0 8.1 0.0 0.0
643 11.9 9.0 7.5 791.2 1293.8 0.0 11.7 0.0 0.0
644 6.0 10.3 3.0 540.0 1862.8 0.0 8.1 0.0 0.0
644 11.9 9.0 7.5 791.2 1293.8 0.0 11.7 0.0 0.0
645 6.0 10.5 3.0 542.6 1831.9 0.0 8.0 0.0 0.0
645 11.9 9.0 7.5 791.2 1293.8 0.0 11.7 0.0 0.0
646 6.0 10.2 3.0 546.6 1825.2 0.0 8.0 0.0 0.0
646 12.0 9.0 7.5 791.2 1293.8 0.0 11.7 0.0 0.0
647 6.0 10.4 3.0 541.2 1853.4 0.0 8.1 0.0 0.0
647 11.9 9.0 7.5 791.2 1293.8 0.0 11.7 0.0 0.0
648 6.0 10.4 3.0 546.6 1859.3 0.0 8.1 0.0 0.0
648 11.9 9.0 7.5 791.2 1293.8 0.0 11.7 0.0 0.0
649 5.8 9.5 2.9 331.8 1848.6 0.0 2.5 0.0 0.0
649 11.9 9.5 7.5 790.7 1299.5 0.0 5.9 0.0 0.0
650 5.8 10.8 2.8 532.3 1864.1 0.0 4.0 0.0 0.0
650 11.9 9.5 7.5 790.7 1299.5 0.0 5.9 0.0 0.0
651 5.9 10.6 3.0 548.7 1860.8 0.0 4.1 0.0 0.0
651 11.9 9.5 7.5 790.7 1299.5 0.0 5.9 0.0 0.0
652 5.8 10.7 2.9 548.9 1868.3 0.0 4.1 0.0 0.0
652 11.9 9.5 7.5 790.7 1299.5 0.0 5.9 0.0 0.0
653 5.9 10.6 3.0 548.9 1866.3 0.0 4.1 0.0 0.0
653 11.9 9.5 7.5 790.7 1299.5 0.0 5.9 0.0 0.0
654 5.8 10.8 2.9 551.2 1849.2 0.0 4.1 0.0 0.0
654 11.9 9.5 7.5 790.7 1299.5 0.0 5.9 0.0 0.0
655 5.9 10.7 3.0 548.8 1886.0 0.0 4.2 0.0 0.0
655 11.9 9.5 7.5 790.7 1299.5 0.0 5.9 0.0 0.0
656 5.8 10.8 2.9 552.3 1877.9 0.0 4.1 0.0 0.0
656 11.9 9.5 7.5 790.7 1299.5 0.0 5.9 0.0 0.0
657 5.6 9.6 2.8 326.7 1831.0 0.0 4.4 0.0 0.0
657 11.9 9.2 7.5 791.0 1295.2 0.0 10.3 0.0 0.0
658 5.9 10.8 3.0 548.9 1853.5 0.0 7.2 0.0 0.0
658 11.9 9.2 7.5 791.0 1295.2 0.0 10.3 0.0 0.0
659 5.9 11.0 3.0 549.9 1846.5 0.0 7.1 0.0 0.0
659 11.9 9.2 7.5 791.0 1295.2 0.0 10.3 0.0 0.0
660 5.9 10.8 3.0 549.7 1846.2 0.0 7.2 0.0 0.0
660 11.9 9.2 7.5 791.0 1295.2 0.0 10.3 0.0 0.0
661 5.8 10.8 2.9 550.0 1845.2 0.0 7.2 0.0 0.0
661 11.9 9.2 7.5 791.0 1295.2 0.0 10.3 0.0 0.0
662 5.9 10.8 3.0 549.4 1817.6 0.0 7.2 0.0 0.0
662 11.9 9.2 7.5 791.0 1295.2 0.0 10.3 0.0 0.0
663 5.8 10.9 2.9 550.9 1874.2 0.0 7.2 0.0 0.0
663 11.9 9.2 7.5 791.0 1295.2 0.0 10.3 0.0 0.0
664 5.7 10.6 2.8 525.6 1854.8 0.0 6.7 0.0 0.0
664 11.9 9.2 7.5 791.0 1295.2 0.0 10.3 0.0 0.0
665 6.1 9.4 3.0 334.9 1859.3 0.0 2.2 0.0 0.0
665 11.9 9.5 7.5 790.7 1300.3 0.0 5.2 0.0 0.0
666 6.1 10.6 3.1 546.9 1875.9 0.0 3.6 0.0 0.0
666 11.9 9.5 7.5 790.7 1300.3 0.0 5.2 0.0 0.0
667 6.1 10.8 3.1 547.9 1876.1 0.0 3.6 0.0 0.0
667 11.9 9.5 7.5 790.7 1300.3 0.0 5.2 0.0 0.0
668 6.1 10.6 3.0 548.6 1862.6 0.0 3.6 0.0 0.0
668 11.9 9.5 7.5 790.7 1300.3 0.0 5.2 0.0 0.0
669 6.0 10.7 2.9 543.5 1839.1 0.0 3.5 0.0 0.0
669 11.9 9.5 7.5 790.7 1300.3 0.0 5.2 0.0 0.0
670 6.1 10.7 3.1 549.8 1834.2 0.0 3.6 0.0 0.0
670 11.9 9.5 7.5 790.7 1300.3 0.0 5.2 0.0 0.0
671 6.2 10.8 3.1 548.3 1873.3 0.0 3.6 0.0 0.0
671 11.9 9.5 7.5 790.7 1300.3 0.0 5.2 0.0 0.0
672 6.1 10.6 3.0 546.8 1909.5 0.0 3.6 0.0 0.0
672 11.9 9.5 7.5 790.7 1300.3 0.0 5.2 0.0 0.0
673 5.8 9.4 3.0 335.9 1837.4 0.0 4.9 0.0 0.0
673 11.9 9.2 7.5 791.0 1293.9 0.0 11.7 0.0 0.0
674 6.0 10.6 3.1 550.1 1855.0 0.0 8.1 0.0 0.0
674 11.9 9.2 7.5 791.0 1293.9 0.0 11.7 0.0 0.0
675 5.9 10.6 3.0 548.9 1842.7 0.0 8.1 0.0 0.0
675 11.9 9.2 7.5 791.0 1293.9 0.0 11.7 0.0 0.0
676 5.9 10.7 3.0 546.6 1844.1 0.0 8.1 0.0 0.0
676 11.9 9.2 7.5 791.0 1293.9 0.0 11.7 0.0 0.0
677 5.9 10.7 3.0 550.4 1860.6 0.0 8.1 0.0 0.0
677 11.9 9.2 7.5 791.0 1293.9 0.0 11.7 0.0 0.0
678 5.9 10.7 3.0 550.8 1814.0 0.0 8.1 0.0 0.0
678 11.9 9.2 7.5 791.0 1293.9 0.0 11.7 0.0 0.0
679 5.9 10.7 3.0 548.0 1849.3 0.0 8.1 0.0 0.0
679 11.9 9.2 7.5 791.0 1293.9 0.0 11.7 0.0 0.0
680 6.0 10.6 3.1 545.3 1880.0 0.0 8.1 0.0 0.0
680 11.9 9.2 7.5 791.0 1293.9 0.0 11.7 0.0 0.0
681 5.9 9.6 3.0 334.4 1857.4 0.0 3.3 0.0 0.0
681 11.9 9.4 7.5 790.8 1297.7 0.0 7.8 0.0 0.0
682 6.0 10.6 3.0 548.8 1875.8 0.0 5.5 0.0 0.0
682 11.9 9.4 7.5 790.8 1297.7 0.0 7.8 0.0 0.0
683 6.0 10.8 3.1 548.5 1863.6 0.0 5.4 0.0 0.0
683 11.9 9.4 7.5 790.8 1297.7 0.0 7.8 0.0 0.0
684 5.9 10.8 3.0 549.1 1859.7 0.0 5.5 0.0 0.0
684 11.9 9.4 7.5 790.8 1297.7 0.0 7.8 0.0 0.0
685 6.0 10.7 3.0 548.7 1844.8 0.0 5.4 0.0 0.0
685 11.9 9.4 7.5 790.8 1297.7 0.0 7.8 0.0 0.0
686 6.0 10.7 3.0 550.0 1832.1 0.0 5.4 0.0 0.0
686 11.9 9.4 7.5 790.8 1297.7 0.0 7.8 0.0 0.0
687 6.0 10.8 3.1 549.9 1855.3 0.0 5.4 0.0 0.0
687 11.9 9.4 7.5 790.8 1297.7 0.0 7.8 0.0 0.0
688 6.0 10.8 3.1 548.9 1904.6 0.0 5.4 0.0 0.0
688 11.9 9.4 7.5 790.8 1297.7 0.0 7.8 0.0 0.0
689 5.8 9.5 2.9 336.3 1837.1 0.0 4.9 0.0 0.0
689 11.9 9.3 7.5 790.9 1293.8 0.0 11.6 0.0 0.0
690 5.9 10.7 3.0 549.8 1853.5 0.0 8.1 0.0 0.0
690 11.9 9.3 7.5 790.9 1293.8 0.0 11.6 0.0 0.0
691 5.9 10.7 3.0 549.3 1848.2 0.0 8.1 0.0 0.0
691 11.9 9.3 7.5 790.9 1293.8 0.0 11.6 0.0 0.0
692 5.9 10.6 3.0 545.6 1849.1 0.0 8.1 0.0 0.0
692 11.9 9.3 7.5 790.9 1293.8 0.0 11.6 0.0 0.0
693 6.0 10.8 3.0 549.6 1829.1 0.0 8.1 0.0 0.0
693 11.9 9.3 7.5 790.9 1293.8 0.0 11.6 0.0 0.0
694 5.9 10.7 3.0 550.0 1819.1 0.0 8.0 0.0 0.0
694 11.9 9.3 7.5 790.9 1293.8 0.0 11.6 0.0 0.0
695 6.0 10.7 3.0 548.6 1854.6 0.0 8.1 0.0 0.0
695 11.9 9.3 7.5 790.9 1293.8 0.0 11.6 0.0 0.0
696 6.0 10.7 3.0 548.4 1874.6 0.0 8.1 0.0 0.0
696 11.9 9.3 7.5 790.9 1293.8 0.0 11.6 0.0 0.0
697 5.9 9.3 3.0 333.6 1833.3 0.0 4.9 0.0 0.0
697 11.9 9.1 7.5 791.1 1293.8 0.0 11.6 0.0 0.0
698 5.9 10.5 3.0 549.4 1849.5 0.0 8.1 0.0 0.0
698 11.9 9.1 7.5 791.1 1293.8 0.0 11.6 0.0 0.0
699 5.9 10.6 3.0 546.1 1856.1 0.0 8.0 0.0 0.0
699 11.9 9.1 7.5 791.1 1293.8 0.0 11.6 0.0 0.0
700 5.5 10.5 2.6 518.9 1833.7 0.0 8.1 0.0 0.0
700 11.9 9.1 7.5 791.1 1293.8 0.0 11.6 0.0 0.0
701 6.0 10.6 3.0 549.2 1819.3 0.0 8.1 0.0 0.0
701 11.9 9.1 7.5 791.1 1293.8 0.0 11.6 0.0 0.0
702 5.9 10.5 3.0 550.4 1802.3 0.0 8.1 0.0 0.0
702 11.9 9.1 7.5 791.1 1293.8 0.0 11.6 0.0 0.0
703 5.9 10.7 3.0 549.4 1849.7 0.0 8.1 0.0 0.0
703 11.9 9.1 7.5 791.1 1293.8 0.0 11.6 0.0 0.0
704 6.0 10.7 3.0 548.9 1844.2 0.0 8.0 0.0 0.0
704 11.9 9.1 7.5 791.1 1293.8 0.0 11.6 0.0 0.0
705 5.8 9.6 3.0 334.5 1825.9 0.0 4.9 0.0 0.0
705 11.9 9.1 7.5 791.1 1293.8 0.0 11.6 0.0 0.0
706 5.9 10.8 3.0 548.9 1844.1 0.0 8.1 0.0 0.0
706 11.9 9.1 7.5 791.1 1293.8 0.0 11.6 0.0 0.0
707 6.0 10.5 3.0 550.1 1836.6 0.0 8.1 0.0 0.0
707 11.9 9.1 7.5 791.1 1293.8 0.0 11.6 0.0 0.0
708 5.9 10.8 3.0 549.3 1835.2 0.0 8.1 0.0 0.0
708 11.9 9.1 7.5 791.1 1293.8 0.0 11.6 0.0 0.0
709 5.9 10.8 2.9 548.4 1827.4 0.0 8.1 0.0 0.0
709 11.9 9.1 7.5 791.1 1293.8 0.0 11.6 0.0 0.0
710 5.9 10.6 3.0 548.8 1808.4 0.0 8.0 0.0 0.0
710 11.9 9.1 7.5 791.1 1293.8 0.0 11.6 0.0 0.0
711 5.8 10.8 2.9 548.0 1830.4 0.0 8.1 0.0 0.0
711 11.9 9.1 7.5 791.1 1293.8 0.0 11.6 0.0 0.0
712 5.9 10.7 3.0 549.9 1844.1 0.0 8.1 0.0 0.0
712 11.9 9.1 7.5 791.1 1293.8 0.0 11.6 0.0 0.0
713 5.7 19.9 2.9 330.7 1836.8 0.0 3.8 0.0 0.0
713 11.9 17.4 7.5 782.8 1296.5 0.0 8.9 0.0 0.0
714 5.8 20.1 2.9 543.8 1859.1 0.0 6.2 0.0 0.0
714 11.9 17.4 7.5 782.8 1296.5 0.0 8.9 0.0 0.0
715 5.9 19.8 3.0 543.2 1854.2 0.0 6.2 0.0 0.0
715 11.9 17.4 7.5 782.8 1296.5 0.0 8.9 0.0 0.0
716 5.9 19.8 3.0 542.2 1889.0 0.0 6.2 0.0 0.0
716 11.9 17.4 7.5 782.8 1296.5 0.0 8.9 0.0 0.0
717 5.9 19.7 3.0 542.9 1845.0 0.0 6.2 0.0 0.0
717 11.9 17.4 7.5 782.8 1296.5 0.0 8.9 0.0 0.0
718 5.8 19.8 2.9 543.7 1821.1 0.0 6.2 0.0 0.0
718 11.9 17.4 7.5 782.8 1296.5 0.0 8.9 0.0 0.0
719 5.8 19.8 2.9 542.7 1839.4 0.0 6.2 0.0 0.0
719 11.9 17.4 7.5 782.8 1296.5 0.0 8.9 0.0 0.0
720 5.9 19.8 3.0 544.2 1864.1 0.0 6.2 0.0 0.0
720 11.9 17.4 7.5 782.8 1296.5 0.0 8.9 0.0 0.0
721 5.7 9.5 3.0 334.6 1849.5 0.0 3.7 0.0 0.0
721 11.9 9.2 7.5 791.0 1296.8 0.0 8.7 0.0 0.0
722 5.8 10.6 2.9 523.6 1866.5 0.0 6.1 0.0 0.0
722 11.9 9.2 7.5 791.0 1296.8 0.0 8.7 0.0 0.0
723 5.8 10.9 2.9 549.1 1854.1 0.0 6.1 0.0 0.0
723 11.9 9.2 7.5 791.0 1296.8 0.0 8.7 0.0 0.0
724 5.8 10.8 2.9 549.2 1866.3 0.0 6.1 0.0 0.0
724 11.9 9.2 7.5 791.0 1296.8 0.0 8.7 0.0 0.0
725 5.9 10.7 3.0 548.4 1836.2 0.0 6.1 0.0 0.0
725 11.9 9.2 7.5 791.0 1296.8 0.0 8.7 0.0 0.0
726 5.9 10.8 3.0 547.8 1824.4 0.0 6.1 0.0 0.0
726 11.9 9.2 7.5 791.0 1296.8 0.0 8.7 0.0 0.0
727 5.8 10.8 3.0 548.4 1849.5 0.0 6.1 0.0 0.0
727 11.9 9.2 7.5 791.0 1296.8 0.0 8.7 0.0 0.0
728 5.8 11.0 2.9 551.3 1844.7 0.0 6.1 0.0 0.0
728 11.9 9.2 7.5 791.0 1296.8 0.0 8.7 0.0 0.0
729 5.8 9.5 3.0 335.4 1851.7 0.0 3.9 0.0 0.0
729 11.9 9.0 7.5 791.2 1296.2 0.0 9.3 0.0 0.0
730 5.9 10.7 3.0 547.0 1859.1 0.0 6.5 0.0 0.0
730 11.9 9.0 7.5 791.2 1296.2 0.0 9.3 0.0 0.0
731 5.9 10.6 3.0 551.2 1885.3 0.0 6.5 0.0 0.0
731 11.9 9.0 7.5 791.2 1296.2 0.0 9.3 0.0 0.0
732 5.8 10.7 2.9 550.4 1854.9 0.0 6.4 0.0 0.0
732 11.9 9.0 7.5 791.2 1296.2 0.0 9.3 0.0 0.0
733 5.9 10.6 3.0 549.7 1845.7 0.0 6.5 0.0 0.0
733 11.9 9.0 7.5 791.2 1296.2 0.0 9.3 0.0 0.0
734 5.8 10.6 2.9 550.1 1830.6 0.0 6.5 0.0 0.0
734 11.9 9.0 7.5 791.2 1296.2 0.0 9.3 0.0 0.0
735 5.8 10.8 2.9 548.7 1862.3 0.0 6.5 0.0 0.0
735 11.9 9.0 7.5 791.2 1296.2 0.0 9.3 0.0 0.0
736 5.9 10.6 3.0 549.0 1885.3 0.0 6.5 0.0 0.0
736 11.9 9.0 7.5 791.2 1296.2 0.0 9.3 0.0 0.0
737 5.9 9.1 3.0 337.8 1797.3 0.0 5.0 0.0 0.0
737 11.9 9.0 7.5 791.2 1293.8 0.0 11.6 0.0 0.0
738 6.0 10.3 3.1 547.1 1781.0 0.0 8.1 0.0 0.0
738 11.9 9.0 7.5 791.2 1293.8 0.0 11.6 0.0 0.0
739 5.9 10.4 3.0 549.1 1754.2 0.0 8.1 0.0 0.0
739 11.9 9.0 7.5 791.2 1293.8 0.0 11.6 0.0 0.0
740 6.0 10.3 3.0 550.2 1782.6 0.0 8.1 0.0 0.0
740 11.9 9.0 7.5 791.2 1293.8 0.0 11.6 0.0 0.0
741 5.9 10.5 3.0 547.1 1794.4 0.0 8.1 0.0 0.0
741 11.9 9.0 7.5 791.2 1293.8 0.0 11.6 0.0 0.0
742 6.0 10.3 3.0 551.3 1768.9 0.0 8.1 0.0 0.0
742 11.9 9.0 7.5 791.2 1293.8 0.0 11.6 0.0 0.0
743 5.9 10.4 3.0 550.2 1772.6 0.0 8.1 0.0 0.0
743 11.9 9.0 7.5 791.2 1293.8 0.0 11.6 0.0 0.0
744 6.0 10.4 3.1 548.9 1774.2 0.0 8.1 0.0 0.0
744 11.9 9.0 7.5 791.2 1293.8 0.0 11.6 0.0 0.0
745 5.9 9.4 3.0 337.1 1858.0 0.0 2.6 0.0 0.0
745 11.9 9.4 7.5 790.8 1299.6 0.0 5.9 0.0 0.0
746 6.0 10.5 3.0 545.5 1870.6 0.0 4.1 0.0 0.0
746 11.9 9.4 7.5 790.8 1299.6 0.0 5.9 0.0 0.0
747 6.0 10.7 3.1 551.0 1862.5 0.0 4.1 0.0 0.0
747 11.9 9.4 7.5 790.8 1299.6 0.0 5.9 0.0 0.0
748 6.0 10.6 3.1 549.9 1885.1 0.0 4.1 0.0 0.0
748 11.9 9.4 7.5 790.8 1299.6 0.0 5.9 0.0 0.0
749 6.0 10.6 3.1 550.2 1843.9 0.0 4.1 0.0 0.0
749 11.9 9.4 7.5 790.8 1299.6 0.0 5.9 0.0 0.0
750 6.1 10.8 3.1 550.5 1859.0 0.0 4.1 0.0 0.0
750 11.9 9.4 7.5 790.8 1299.6 0.0 5.9 0.0 0.0
751 6.1 10.5 3.1 550.7 1866.6 0.0 4.1 0.0 0.0
751 11.9 9.4 7.5 790.8 1299.6 0.0 5.9 0.0 0.0
752 6.0 10.6 3.1 548.4 1868.9 0.0 4.1 0.0 0.0
752 11.9 9.4 7.5 790.8 1299.6 0.0 5.9 0.0 0.0
753 5.9 9.5 3.0 334.3 1848.3 0.0 4.9 0.0 0.0
753 11.9 9.2 7.5 791.0 1293.9 0.0 11.6 0.0 0.0
754 6.0 10.6 3.1 548.4 1849.9 0.0 8.1 0.0 0.0
754 11.9 9.2 7.5 791.0 1293.9 0.0 11.6 0.0 0.0
755 5.9 10.5 3.0 549.2 1849.8 0.0 8.1 0.0 0.0
755 11.9 9.2 7.5 791.0 1293.9 0.0 11.6 0.0 0.0
756 6.0 10.7 3.1 547.8 1851.1 0.0 8.0 0.0 0.0
756 11.9 9.2 7.5 791.0 1293.9 0.0 11.6 0.0 0.0
757 5.9 10.5 3.0 546.5 1840.9 0.0 8.0 0.0 0.0
757 11.9 9.2 7.5 791.0 1293.9 0.0 11.6 0.0 0.0
758 6.0 10.5 3.1 549.5 1823.1 0.0 8.1 0.0 0.0
758 11.9 9.2 7.5 791.0 1293.9 0.0 11.6 0.0 0.0
759 6.0 10.6 3.1 548.6 1836.2 0.0 8.1 0.0 0.0
759 11.9 9.2 7.5 791.0 1293.9 0.0 11.6 0.0 0.0
760 6.0 10.8 3.0 550.8 1856.9 0.0 8.1 0.0 0.0
760 11.9 9.2 7.5 791.0 1293.9 0.0 11.6 0.0 0.0
761 5.9 19.9 3.0 331.9 1844.8 0.0 3.3 0.0 0.0
761 11.9 17.3 7.5 782.9 1297.6 0.0 7.9 0.0 0.0
762 6.1 19.9 3.1 552.1 1863.7 0.0 5.6 0.0 0.0
762 11.9 17.3 7.5 782.9 1297.6 0.0 7.9 0.0 0.0
763 6.0 19.7 3.0 542.9 1869.2 0.0 5.5 0.0 0.0
763 11.9 17.3 7.5 782.9 1297.6 0.0 7.9 0.0 0.0
764 6.0 19.9 3.0 543.9 1868.9 0.0 5.5 0.0 0.0
764 11.9 17.3 7.5 782.9 1297.6 0.0 7.9 0.0 0.0
765 6.0 19.9 3.0 542.7 1861.8 0.0 5.5 0.0 0.0
765 11.9 17.3 7.5 782.9 1297.6 0.0 7.9 0.0 0.0
766 6.0 19.9 3.0 537.1 1820.2 0.0 5.5 0.0 0.0
766 11.9 17.3 7.5 782.9 1297.6 0.0 7.9 0.0 0.0
767 6.0 19.7 3.0 542.3 1857.2 0.0 5.5 0.0 0.0
767 11.9 17.3 7.5 782.9 1297.6 0.0 7.9 0.0 0.0
768 6.0 19.9 3.0 543.0 1870.6 0.0 5.5 0.0 0.0
768 11.9 17.3 7.5 782.9 1297.6 0.0 7.9 0.0 0.0
769 5.7 9.5 2.9 332.1 1834.0 0.0 5.0 0.0 0.0
769 11.9 9.4 7.5 790.8 1293.8 0.0 11.7 0.0 0.0
770 5.8 10.9 2.9 544.5 1854.6 0.0 8.1 0.0 0.0
770 11.9 9.4 7.5 790.8 1293.8 0.0 11.7 0.0 0.0
771 5.8 11.0 2.9 546.2 1865.7 0.0 8.1 0.0 0.0
771 11.9 9.4 7.5 790.8 1293.8 0.0 11.7 0.0 0.0
772 5.8 10.8 2.9 545.2 1853.0 0.0 8.0 0.0 0.0
772 11.9 9.4 7.5 790.8 1293.8 0.0 11.7 0.0 0.0
773 5.9 10.8 3.0 543.7 1862.3 0.0 8.1 0.0 0.0
773 11.9 9.4 7.5 790.8 1293.8 0.0 11.7 0.0 0.0
774 5.8 10.7 3.0 543.1 1819.5 0.0 8.1 0.0 0.0
774 11.9 9.4 7.5 790.8 1293.8 0.0 11.7 0.0 0.0
775 5.8 10.8 2.9 548.8 1835.4 0.0 8.2 0.0 0.0
775 11.9 9.4 7.5 790.8 1293.8 0.0 11.7 0.0 0.0
776 5.6 10.8 2.8 527.9 1847.4 0.0 7.7 0.0 0.0
776 11.9 9.4 7.5 790.8 1293.8 0.0 11.7 0.0 0.0
777 5.7 20.1 2.9 331.4 1858.6 0.0 3.3 0.0 0.0
777 11.9 17.4 7.5 782.8 1297.8 0.0 7.7 0.0 0.0
778 5.9 20.1 3.0 543.0 1876.7 0.0 5.4 0.0 0.0
778 11.9 17.4 7.5 782.8 1297.8 0.0 7.7 0.0 0.0
779 5.9 19.9 3.0 543.1 1871.5 0.0 5.4 0.0 0.0
779 11.9 17.4 7.5 782.8 1297.8 0.0 7.7 0.0 0.0
780 5.9 20.1 3.0 544.5 1845.1 0.0 5.4 0.0 0.0
780 11.9 17.4 7.5 782.8 1297.8 0.0 7.7 0.0 0.0
781 5.9 20.0 3.0 544.7 1855.6 0.0 5.4 0.0 0.0
781 11.9 17.4 7.5 782.8 1297.8 0.0 7.7 0.0 0.0
782 5.8 19.9 2.9 543.1 1861.8 0.0 5.4 0.0 0.0
782 11.9 17.4 7.5 782.8 1297.8 0.0 7.7 0.0 0.0
783 5.9 20.1 3.0 544.2 1862.2 0.0 5.3 0.0 0.0
783 11.9 17.4 7.5 782.8 1297.8 0.0 7.7 0.0 0.0
784 5.9 20.0 3.0 545.0 1877.1 0.0 5.4 0.0 0.0
784 11.9 17.4 7.5 782.8 1297.8 0.0 7.7 0.0 0.0
785 5.8 9.3 3.0 335.7 1859.6 0.0 2.3 0.0 0.0
785 11.9 9.1 7.5 791.1 1300.0 0.0 5.5 0.0 0.0
786 6.0 10.5 3.0 549.9 1896.1 0.0 3.8 0.0 0.0
786 11.9 9.1 7.5 791.1 1300.0 0.0 5.5 0.0 0.0
787 5.8 10.6 2.9 549.2 1859.7 0.0 3.8 0.0 0.0
787 11.9 9.1 7.5 791.1 1300.0 0.0 5.5 0.0 0.0
788 5.8 10.8 2.9 549.6 1859.6 0.0 3.8 0.0 0.0
788 11.9 9.1 7.5 791.1 1300.0 0.0 5.5 0.0 0.0
789 5.8 10.5 2.9 544.6 1845.2 0.0 3.8 0.0 0.0
789 11.9 9.1 7.5 791.1 1300.0 0.0 5.5 0.0 0.0
790 5.8 10.6 2.9 548.5 1835.1 0.0 3.8 0.0 0.0
790 11.9 9.1 7.5 791.1 1300.0 0.0 5.5 0.0 0.0
791 5.9 10.5 2.9 549.1 1859.5 0.0 3.8 0.0 0.0
791 11.9 9.1 7.5 791.1 1300.0 0.0 5.5 0.0 0.0
792 5.8 10.5 2.9 549.4 1874.4 0.0 3.8 0.0 0.0
792 11.9 9.1 7.5 791.1 1300.0 0.0 5.5 0.0 0.0
793 5.9 9.6 3.0 336.8 1852.0 0.0 4.7 0.0 0.0
793 11.9 9.8 7.5 790.4 1294.5 0.0 10.9 0.0 0.0
794 6.0 10.9 3.0 550.0 1866.2 0.0 7.6 0.0 0.0
794 11.9 9.8 7.5 790.4 1294.5 0.0 10.9 0.0 0.0
795 6.0 10.9 3.0 548.2 1863.1 0.0 7.6 0.0 0.0
795 11.9 9.8 7.5 790.4 1294.5 0.0 10.9 0.0 0.0
796 6.0 11.0 3.0 548.4 1896.1 0.0 7.6 0.0 0.0
796 11.9 9.8 7.5 790.4 1294.5 0.0 10.9 0.0 0.0
797 6.0 11.0 3.0 548.5 1854.1 0.0 7.7 0.0 0.0
797 11.9 9.8 7.5 790.4 1294.5 0.0 10.9 0.0 0.0
798 6.0 11.1 3.0 550.1 1834.3 0.0 7.6 0.0 0.0
798 11.9 9.8 7.5 790.4 1294.5 0.0 10.9 0.0 0.0
799 5.9 11.1 3.0 550.8 1862.4 0.0 7.6 0.0 0.0
799 11.9 9.8 7.5 790.4 1294.5 0.0 10.9 0.0 0.0
800 6.0 10.9 3.0 545.3 1871.7 0.0 7.6 0.0 0.0
800 11.9 9.8 7.5 790.4 1294.5 0.0 10.9 0.0 0.0
801 5.7 9.4 2.9 333.6 1847.8 0.0 4.6 0.0 0.0
801 11.9 9.3 7.5 790.8 1294.6 0.0 10.9 0.0 0.0
802 5.8 10.7 2.9 551.2 1881.4 0.0 7.6 0.0 0.0
802 11.9 9.3 7.5 790.8 1294.6 0.0 10.9 0.0 0.0
803 5.9 10.6 3.0 547.6 1852.2 0.0 7.6 0.0 0.0
803 11.9 9.3 7.5 790.8 1294.6 0.0 10.9 0.0 0.0
804 5.8 10.6 2.9 546.0 1847.4 0.0 7.6 0.0 0.0
804 11.9 9.3 7.5 790.8 1294.6 0.0 10.9 0.0 0.0
805 5.9 10.6 2.9 549.6 1838.7 0.0 7.5 0.0 0.0
805 11.9 9.3 7.5 790.8 1294.6 0.0 10.9 0.0 0.0
806 5.8 10.7 2.9 548.0 1822.8 0.0 7.6 0.0 0.0
806 11.9 9.3 7.5 790.8 1294.6 0.0 10.9 0.0 0.0
807 5.9 10.7 2.9 549.0 1847.8 0.0 7.6 0.0 0.0
807 11.9 9.3 7.5 790.8 1294.6 0.0 10.9 0.0 0.0
808 5.8 10.6 2.9 543.9 1868.4 0.0 7.6 0.0 0.0
808 11.9 9.3 7.5 790.8 1294.6 0.0 10.9 0.0 0.0
809 5.7 9.3 2.9 334.1 1852.3 0.0 3.8 0.0 0.0
809 11.9 9.2 7.5 791.0 1296.6 0.0 8.9 0.0 0.0
810 5.9 10.4 2.9 548.9 1886.2 0.0 6.2 0.0 0.0
810 11.9 9.2 7.5 791.0 1296.6 0.0 8.9 0.0 0.0
811 5.8 10.4 2.9 548.3 1859.5 0.0 6.2 0.0 0.0
811 11.9 9.2 7.5 791.0 1296.6 0.0 8.9 0.0 0.0
812 5.8 10.4 2.9 548.2 1858.1 0.0 6.2 0.0 0.0
812 11.9 9.2 7.5 791.0 1296.6 0.0 8.9 0.0 0.0
813 5.8 10.5 2.9 548.1 1843.2 0.0 6.2 0.0 0.0
813 11.9 9.2 7.5 791.0 1296.6 0.0 8.9 0.0 0.0
814 5.9 10.5 2.9 547.8 1839.3 0.0 6.2 0.0 0.0
814 11.9 9.2 7.5 791.0 1296.6 0.0 8.9 0.0 0.0
815 5.8 10.6 2.9 549.2 1859.5 0.0 6.2 0.0 0.0
815 11.9 9.2 7.5 791.0 1296.6 0.0 8.9 0.0 0.0
816 5.9 10.5 2.9 549.3 1888.1 0.0 6.2 0.0 0.0
816 11.9 9.2 7.5 791.0 1296.6 0.0 8.9 0.0 0.0
817 5.9 9.7 3.0 335.4 1869.3 0.0 2.9 0.0 0.0
817 11.9 9.4 7.5 790.8 1298.7 0.0 6.8 0.0 0.0
818 6.0 10.8 3.0 548.7 1904.6 0.0 4.7 0.0 0.0
818 11.9 9.4 7.5 790.8 1298.7 0.0 6.8 0.0 0.0
819 5.9 10.6 3.0 548.4 1877.5 0.0 4.7 0.0 0.0
819 11.9 9.4 7.5 790.8 1298.7 0.0 6.8 0.0 0.0
820 5.9 10.8 3.0 543.3 1872.4 0.0 4.7 0.0 0.0
820 11.9 9.4 7.5 790.8 1298.7 0.0 6.8 0.0 0.0
821 6.0 10.5 3.0 548.2 1890.2 0.0 4.7 0.0 0.0
821 11.9 9.4 7.5 790.8 1298.7 0.0 6.8 0.0 0.0
822 5.9 10.9 3.0 542.4 1851.7 0.0 4.7 0.0 0.0
822 11.9 9.4 7.5 790.8 1298.7 0.0 6.8 0.0 0.0
823 6.0 10.7 3.0 548.8 1874.1 0.0 4.7 0.0 0.0
823 11.9 9.4 7.5 790.8 1298.7 0.0 6.8 0.0 0.0
824 5.9 10.9 3.0 546.9 1882.7 0.0 4.7 0.0 0.0
824 11.9 9.4 7.5 790.8 1298.7 0.0 6.8 0.0 0.0
825 5.7 9.4 2.9 333.7 1831.7 0.0 2.3 0.0 0.0
825 11.9 9.0 7.5 791.2 1300.1 0.0 5.4 0.0 0.0
826 5.7 10.4 2.8 522.3 1847.0 0.0 3.7 0.0 0.0
826 11.9 9.0 7.5 791.2 1300.1 0.0 5.4 0.0 0.0
827 5.8 10.6 2.9 550.3 1850.3 0.0 3.7 0.0 0.0
827 11.9 9.0 7.5 791.2 1300.1 0.0 5.4 0.0 0.0
828 5.8 10.6 2.9 549.3 1855.3 0.0 3.7 0.0 0.0
828 11.9 9.0 7.5 791.2 1300.1 0.0 5.4 0.0 0.0
829 5.9 10.4 3.0 550.9 1851.9 0.0 3.8 0.0 0.0
829 11.9 9.0 7.5 791.2 1300.1 0.0 5.4 0.0 0.0
830 5.9 10.5 3.0 547.2 1820.9 0.0 3.8 0.0 0.0
830 11.9 9.0 7.5 791.2 1300.1 0.0 5.4 0.0 0.0
831 5.8 10.5 2.9 551.2 1842.7 0.0 3.8 0.0 0.0
831 11.9 9.0 7.5 791.2 1300.1 0.0 5.4 0.0 0.0
832 5.8 10.6 2.9 549.1 1854.3 0.0 3.7 0.0 0.0
832 11.9 9.0 7.5 791.2 1300.1 0.0 5.4 0.0 0.0
833 5.8 9.3 3.0 336.3 1848.0 0.0 2.9 0.0 0.0
833 11.9 9.1 7.5 791.1 1298.7 0.0 6.8 0.0 0.0
834 5.9 10.7 2.9 545.5 1870.9 0.0 4.7 0.0 0.0
834 11.9 9.1 7.5 791.1 1298.7 0.0 6.8 0.0 0.0
835 5.9 10.6 3.0 549.5 1860.1 0.0 4.7 0.0 0.0
835 11.9 9.1 7.5 791.1 1298.7 0.0 6.8 0.0 0.0
836 5.9 10.6 3.0 544.3 1878.1 0.0 4.7 0.0 0.0
836 11.9 9.1 7.5 791.1 1298.7 0.0 6.8 0.0 0.0
837 5.9 10.5 3.0 552.6 1851.7 0.0 4.7 0.0 0.0
837 11.9 9.1 7.5 791.1 1298.7 0.0 6.8 0.0 0.0
838 5.9 10.6 3.0 551.2 1836.0 0.0 4.7 0.0 0.0
838 11.9 9.1 7.5 791.1 1298.7 0.0 6.8 0.0 0.0
839 6.0 10.7 3.1 549.7 1856.6 0.0 4.7 0.0 0.0
839 11.9 9.1 7.5 791.1 1298.7 0.0 6.8 0.0 0.0
840 5.8 10.7 2.9 549.9 1877.9 0.0 4.7 0.0 0.0
840 11.9 9.1 7.5 791.1 1298.7 0.0 6.8 0.0 0.0
841 5.4 9.9 2.6 335.4 1838.0 0.0 2.4 0.0 0.0
841 11.9 9.4 7.5 790.8 1299.8 0.0 5.7 0.0 0.0
842 5.5 11.0 2.6 547.5 1859.1 0.0 3.9 0.0 0.0
842 11.9 9.4 7.5 790.8 1299.8 0.0 5.7 0.0 0.0
843 5.6 10.9 2.7 548.8 1854.3 0.0 3.9 0.0 0.0
843 11.9 9.4 7.5 790.8 1299.8 0.0 5.7 0.0 0.0
844 5.6 10.9 2.7 546.5 1854.1 0.0 3.9 0.0 0.0
844 11.9 9.4 7.5 790.8 1299.8 0.0 5.7 0.0 0.0
845 5.5 11.0 2.6 549.9 1846.0 0.0 3.9 0.0 0.0
845 11.9 9.4 7.5 790.8 1299.8 0.0 5.7 0.0 0.0
846 5.5 11.1 2.6 546.0 1828.5 0.0 3.9 0.0 0.0
846 11.9 9.4 7.5 790.8 1299.8 0.0 5.7 0.0 0.0
847 5.4 11.1 2.5 547.9 1855.0 0.0 3.9 0.0 0.0
847 11.9 9.4 7.5 790.8 1299.8 0.0 5.7 0.0 0.0
848 5.8 10.7 2.9 547.6 1866.1 0.0 3.9 0.0 0.0
848 11.9 9.4 7.5 790.8 1299.8 0.0 5.7 0.0 0.0
849 5.7 20.2 2.9 330.9 1866.5 0.0 2.8 0.0 0.0
849 11.9 17.3 7.5 782.9 1298.9 0.0 6.6 0.0 0.0
850 5.8 20.6 2.9 544.3 1898.0 0.0 4.6 0.0 0.0
850 11.9 17.3 7.5 782.9 1298.9 0.0 6.6 0.0 0.0
851 5.8 20.2 2.9 543.3 1868.3 0.0 4.6 0.0 0.0
851 11.9 17.3 7.5 782.9 1298.9 0.0 6.6 0.0 0.0
852 5.8 20.2 2.9 546.9 1854.7 0.0 4.6 0.0 0.0
852 11.9 17.3 7.5 782.9 1298.9 0.0 6.6 0.0 0.0
853 5.8 20.2 2.9 543.8 1854.7 0.0 4.6 0.0 0.0
853 11.9 17.3 7.5 782.9 1298.9 0.0 6.6 0.0 0.0
854 5.9 20.3 2.9 544.2 1866.9 0.0 4.6 0.0 0.0
854 11.9 17.3 7.5 782.9 1298.9 0.0 6.6 0.0 0.0
855 5.8 20.4 2.9 543.1 1861.3 0.0 4.6 0.0 0.0
855 11.9 17.3 7.5 782.9 1298.9 0.0 6.6 0.0 0.0
856 5.8 20.3 2.9 544.7 1873.8 0.0 4.6 0.0 0.0
856 11.9 17.3 7.5 782.9 1298.9 0.0 6.6 0.0 0.0
857 5.7 9.6 2.9 332.2 1860.4 0.0 3.0 0.0 0.0
857 11.9 9.6 7.5 790.6 1298.3 0.0 7.2 0.0 0.0
858 5.9 10.7 3.0 553.1 1887.8 0.0 5.0 0.0 0.0
858 11.9 9.6 7.5 790.6 1298.3 0.0 7.2 0.0 0.0
859 5.9 10.6 3.0 550.2 1888.1 0.0 5.0 0.0 0.0
859 11.9 9.6 7.5 790.6 1298.3 0.0 7.2 0.0 0.0
860 5.8 10.6 2.9 546.9 1859.2 0.0 5.0 0.0 0.0
860 11.9 9.6 7.5 790.6 1298.3 0.0 7.2 0.0 0.0
861 5.9 10.7 3.0 546.0 1838.6 0.0 4.9 0.0 0.0
861 11.9 9.6 7.5 790.6 1298.3 0.0 7.2 0.0 0.0
862 5.8 10.7 2.9 552.8 1830.1 0.0 5.0 0.0 0.0
862 11.9 9.6 7.5 790.6 1298.3 0.0 7.2 0.0 0.0
863 5.8 10.6 2.9 550.3 1855.0 0.0 5.0 0.0 0.0
863 11.9 9.6 7.5 790.6 1298.3 0.0 7.2 0.0 0.0
864 5.8 10.6 2.9 550.0 1879.2 0.0 5.0 0.0 0.0
864 11.9 9.6 7.5 790.6 1298.3 0.0 7.2 0.0 0.0
865 5.7 9.3 2.9 330.0 1842.7 0.0 5.0 0.0 0.0
865 11.9 9.1 7.5 791.1 1293.7 0.0 11.7 0.0 0.0
866 5.8 10.6 2.9 550.5 1858.9 0.0 8.2 0.0 0.0
866 11.9 9.1 7.5 791.1 1293.7 0.0 11.7 0.0 0.0
867 5.8 10.7 2.9 548.9 1871.5 0.0 8.1 0.0 0.0
867 11.9 9.1 7.5 791.1 1293.7 0.0 11.7 0.0 0.0
868 5.8 10.5 2.9 550.1 1836.9 0.0 8.1 0.0 0.0
868 11.9 9.1 7.5 791.1 1293.7 0.0 11.7 0.0 0.0
869 5.8 10.7 2.9 548.8 1827.8 0.0 8.2 0.0 0.0
869 11.9 9.1 7.5 791.1 1293.7 0.0 11.7 0.0 0.0
870 5.8 10.5 2.9 547.8 1824.3 0.0 8.2 0.0 0.0
870 11.9 9.1 7.5 791.1 1293.7 0.0 11.7 0.0 0.0
871 5.8 10.5 2.9 548.6 1847.2 0.0 8.1 0.0 0.0
871 11.9 9.1 7.5 791.1 1293.7 0.0 11.7 0.0 0.0
872 5.8 10.6 2.9 548.7 1859.8 0.0 8.1 0.0 0.0
872 11.9 9.1 7.5 791.1 1293.7 0.0 11.7 0.0 0.0
873 5.7 9.7 2.9 333.8 1849.7 0.0 4.4 0.0 0.0
873 11.9 9.3 7.5 790.9 1295.1 0.0 10.4 0.0 0.0
874 5.7 10.9 2.9 547.8 1867.9 0.0 7.2 0.0 0.0
874 11.9 9.3 7.5 790.9 1295.1 0.0 10.4 0.0 0.0
875 5.8 10.8 2.9 548.8 1867.3 0.0 7.2 0.0 0.0
875 11.9 9.3 7.5 790.9 1295.1 0.0 10.4 0.0 0.0
876 5.8 11.0 2.9 549.0 1854.6 0.0 7.2 0.0 0.0
876 11.9 9.3 7.5 790.9 1295.1 0.0 10.4 0.0 0.0
877 5.8 10.8 2.9 549.3 1875.6 0.0 7.2 0.0 0.0
877 11.9 9.3 7.5 790.9 1295.1 0.0 10.4 0.0 0.0
878 5.8 11.0 2.9 551.0 1835.9 0.0 7.2 0.0 0.0
878 11.9 9.3 7.5 790.9 1295.1 0.0 10.4 0.0 0.0
879 5.8 10.9 2.9 548.2 1874.7 0.0 7.2 0.0 0.0
879 11.9 9.3 7.5 790.9 1295.1 0.0 10.4 0.0 0.0
880 5.8 10.9 2.9 548.6 1882.4 0.0 7.3 0.0 0.0
880 11.9 9.3 7.5 790.9 1295.1 0.0 10.4 0.0 0.0
881 5.8 9.5 3.0 334.1 1844.5 0.0 3.8 0.0 0.0
881 11.9 9.5 7.5 790.7 1296.6 0.0 8.9 0.0 0.0
882 5.9 10.8 3.0 549.7 1861.1 0.0 6.2 0.0 0.0
882 11.9 9.5 7.5 790.7 1296.6 0.0 8.9 0.0 0.0
883 5.9 10.8 3.0 548.5 1851.8 0.0 6.2 0.0 0.0
883 11.9 9.5 7.5 790.7 1296.6 0.0 8.9 0.0 0.0
884 5.9 11.1 3.0 550.0 1845.9 0.0 6.2 0.0 0.0
884 11.9 9.5 7.5 790.7 1296.6 0.0 8.9 0.0 0.0
885 5.9 10.7 3.0 552.1 1837.2 0.0 6.2 0.0 0.0
885 11.9 9.5 7.5 790.7 1296.6 0.0 8.9 0.0 0.0
886 5.9 10.9 3.0 547.6 1842.9 0.0 6.2 0.0 0.0
886 11.9 9.5 7.5 790.7 1296.6 0.0 8.9 0.0 0.0
887 5.9 10.8 3.0 547.9 1846.7 0.0 6.2 0.0 0.0
887 11.9 9.5 7.5 790.7 1296.6 0.0 8.9 0.0 0.0
888 5.8 10.9 3.0 548.2 1865.0 0.0 6.2 0.0 0.0
888 11.9 9.5 7.5 790.7 1296.6 0.0 8.9 0.0 0.0
889 5.9 10.1 3.0 335.6 1869.5 0.0 2.4 0.0 0.0
889 11.9 9.7 7.5 790.4 1299.7 0.0 5.8 0.0 0.0
890 5.9 11.3 3.0 542.9 1876.3 0.0 4.0 0.0 0.0
890 11.9 9.7 7.5 790.4 1299.7 0.0 5.8 0.0 0.0
891 5.9 11.4 3.0 549.0 1864.1 0.0 4.0 0.0 0.0
891 11.9 9.7 7.5 790.4 1299.7 0.0 5.8 0.0 0.0
892 5.9 11.4 3.0 547.0 1866.0 0.0 4.0 0.0 0.0
892 11.9 9.7 7.5 790.4 1299.7 0.0 5.8 0.0 0.0
893 5.9 11.3 3.0 549.0 1881.1 0.0 4.0 0.0 0.0
893 11.9 9.7 7.5 790.4 1299.7 0.0 5.8 0.0 0.0
894 5.9 11.3 2.9 548.5 1835.5 0.0 4.0 0.0 0.0
894 11.9 9.7 7.5 790.4 1299.7 0.0 5.8 0.0 0.0
895 5.9 11.2 3.0 548.9 1870.9 0.0 4.0 0.0 0.0
895 11.9 9.7 7.5 790.4 1299.7 0.0 5.8 0.0 0.0
896 5.9 11.4 2.9 544.2 1893.4 0.0 4.0 0.0 0.0
896 11.9 9.7 7.5 790.4 1299.7 0.0 5.8 0.0 0.0
897 5.7 10.0 2.9 333.4 1867.7 0.0 2.2 0.0 0.0
897 11.9 9.7 7.5 790.5 1300.3 0.0 5.1 0.0 0.0
898 5.8 11.1 2.9 549.2 1874.8 0.0 3.6 0.0 0.0
898 11.9 9.7 7.5 790.5 1300.3 0.0 5.1 0.0 0.0
899 5.9 11.1 3.0 549.0 1902.1 0.0 3.6 0.0 0.0
899 11.9 9.7 7.5 790.5 1300.3 0.0 5.1 0.0 0.0
900 5.8 11.2 2.9 548.9 1861.2 0.0 3.6 0.0 0.0
900 11.9 9.7 7.5 790.5 1300.3 0.0 5.1 0.0 0.0
901 5.9 11.2 2.9 549.4 1843.4 0.0 3.6 0.0 0.0
901 11.9 9.7 7.5 790.5 1300.3 0.0 5.1 0.0 0.0
902 5.9 11.2 2.9 548.6 1830.5 0.0 3.6 0.0 0.0
902 11.9 9.7 7.5 790.5 1300.3 0.0 5.1 0.0 0.0
903 5.9 11.1 2.9 548.5 1875.4 0.0 3.6 0.0 0.0
903 11.9 9.7 7.5 790.5 1300.3 0.0 5.1 0.0 0.0
904 5.8 11.3 2.9 549.2 1889.7 0.0 3.6 0.0 0.0
904 11.9 9.7 7.5 790.5 1300.3 0.0 5.1 0.0 0.0
905 6.0 9.7 3.0 334.6 1856.5 0.0 5.0 0.0 0.0
905 11.9 10.1 7.5 790.1 1293.7 0.0 11.7 0.0 0.0
906 6.0 10.8 3.0 549.6 1869.0 0.0 8.1 0.0 0.0
906 11.9 10.1 7.5 790.1 1293.7 0.0 11.7 0.0 0.0
907 6.0 11.1 3.0 548.9 1861.0 0.0 8.1 0.0 0.0
907 11.9 10.1 7.5 790.1 1293.7 0.0 11.7 0.0 0.0
908 6.0 10.8 3.0 546.3 1867.9 0.0 8.2 0.0 0.0
908 11.9 10.1 7.5 790.1 1293.7 0.0 11.7 0.0 0.0
909 6.0 11.0 3.0 547.9 1891.0 0.0 8.2 0.0 0.0
909 11.9 10.1 7.5 790.1 1293.7 0.0 11.7 0.0 0.0
910 6.1 10.9 3.0 546.1 1841.2 0.0 8.2 0.0 0.0
910 11.9 10.1 7.5 790.1 1293.7 0.0 11.7 0.0 0.0
911 6.0 10.9 3.0 548.4 1856.4 0.0 8.1 0.0 0.0
911 11.9 10.1 7.5 790.1 1293.7 0.0 11.7 0.0 0.0
912 6.0 10.9 3.0 547.1 1873.0 0.0 8.1 0.0 0.0
912 11.9 10.1 7.5 790.1 1293.7 0.0 11.7 0.0 0.0
913 5.8 9.3 2.9 335.4 1856.8 0.0 2.5 0.0 0.0
913 11.9 9.6 7.5 790.6 1299.6 0.0 5.9 0.0 0.0
914 5.9 10.5 2.9 549.1 1883.4 0.0 4.1 0.0 0.0
914 11.9 9.6 7.5 790.6 1299.6 0.0 5.9 0.0 0.0
915 5.9 10.4 3.0 548.1 1887.5 0.0 4.1 0.0 0.0
915 11.9 9.6 7.5 790.6 1299.6 0.0 5.9 0.0 0.0
916 5.8 10.3 2.9 550.0 1854.8 0.0 4.1 0.0 0.0
916 11.9 9.6 7.5 790.6 1299.6 0.0 5.9 0.0 0.0
917 5.8 10.5 2.9 549.3 1830.6 0.0 4.1 0.0 0.0
917 11.9 9.6 7.5 790.6 1299.6 0.0 5.9 0.0 0.0
918 5.8 10.5 2.9 549.2 1832.0 0.0 4.1 0.0 0.0
918 11.9 9.6 7.5 790.6 1299.6 0.0 5.9 0.0 0.0
919 5.9 10.5 2.9 548.5 1860.7 0.0 4.1 0.0 0.0
919 11.9 9.6 7.5 790.6 1299.6 0.0 5.9 0.0 0.0
920 5.8 10.6 2.9 547.8 1879.3 0.0 4.1 0.0 0.0
920 11.9 9.6 7.5 790.6 1299.6 0.0 5.9 0.0 0.0
921 5.9 10.1 3.0 334.2 1841.0 0.0 5.0 0.0 0.0
921 11.9 10.3 7.5 789.9 1293.7 0.0 11.7 0.0 0.0
922 5.7 11.7 2.7 550.5 1859.9 0.0 8.2 0.0 0.0
922 11.9 10.3 7.5 789.9 1293.7 0.0 11.7 0.0 0.0
923 5.9 11.4 3.0 547.8 1852.3 0.0 8.1 0.0 0.0
923 11.9 10.3 7.5 789.9 1293.7 0.0 11.7 0.0 0.0
924 5.9 11.3 3.0 548.0 1855.4 0.0 8.1 0.0 0.0
924 11.9 10.3 7.5 789.9 1293.7 0.0 11.7 0.0 0.0
925 5.9 11.2 3.0 548.2 1853.9 0.0 8.2 0.0 0.0
925 11.9 10.3 7.5 789.9 1293.7 0.0 11.7 0.0 0.0
926 6.0 11.3 3.0 549.3 1824.0 0.0 8.2 0.0 0.0
926 11.9 10.3 7.5 789.9 1293.7 0.0 11.7 0.0 0.0
927 6.0 11.4 3.0 548.1 1846.9 0.0 8.2 0.0 0.0
927 11.9 10.3 7.5 789.9 1293.7 0.0 11.7 0.0 0.0
928 6.0 11.3 3.0 549.8 1866.3 0.0 8.1 0.0 0.0
928 11.9 10.3 7.5 789.9 1293.7 0.0 11.7 0.0 0.0
929 5.9 9.2 3.1 336.5 1838.3 0.0 5.0 0.0 0.0
929 11.9 9.8 7.5 790.4 1293.7 0.0 11.7 0.0 0.0
930 6.0 10.5 3.0 549.2 1849.2 0.0 8.1 0.0 0.0
930 11.9 9.8 7.5 790.4 1293.7 0.0 11.7 0.0 0.0
931 6.0 10.4 3.0 548.8 1853.5 0.0 8.1 0.0 0.0
931 11.9 9.8 7.5 790.4 1293.7 0.0 11.7 0.0 0.0
932 6.0 10.3 3.0 547.7 1846.3 0.0 8.1 0.0 0.0
932 11.9 9.8 7.5 790.4 1293.7 0.0 11.7 0.0 0.0
933 6.0 10.5 3.0 548.0 1850.6 0.0 8.2 0.0 0.0
933 11.9 9.8 7.5 790.4 1293.7 0.0 11.7 0.0 0.0
934 6.0 10.6 3.0 547.4 1839.0 0.0 8.2 0.0 0.0
934 11.9 9.8 7.5 790.4 1293.7 0.0 11.7 0.0 0.0
935 6.0 10.5 3.0 547.7 1837.7 0.0 8.1 0.0 0.0
935 11.9 9.8 7.5 790.4 1293.7 0.0 11.7 0.0 0.0
936 6.0 10.5 3.0 550.2 1852.9 0.0 8.1 0.0 0.0
936 11.9 9.8 7.5 790.4 1293.7 0.0 11.7 0.0 0.0
937 5.7 9.4 2.9 336.2 1846.0 0.0 4.1 0.0 0.0
937 11.9 9.7 7.5 790.5 1295.8 0.0 9.6 0.0 0.0
938 5.9 10.5 3.0 549.2 1879.3 0.0 6.7 0.0 0.0
938 11.9 9.7 7.5 790.5 1295.8 0.0 9.6 0.0 0.0
939 5.8 10.7 2.9 548.7 1849.6 0.0 6.6 0.0 0.0
939 11.9 9.7 7.5 790.5 1295.8 0.0 9.6 0.0 0.0
940 5.8 10.5 2.9 547.2 1845.0 0.0 6.3 0.0 0.0
940 11.9 9.7 7.5 790.5 1295.8 0.0 9.6 0.0 0.0
941 5.8 10.6 2.9 548.4 1842.1 0.0 6.7 0.0 0.0
941 11.9 9.7 7.5 790.5 1295.8 0.0 9.6 0.0 0.0
942 5.8 10.6 2.9 547.5 1824.6 0.0 6.7 0.0 0.0
942 11.9 9.7 7.5 790.5 1295.8 0.0 9.6 0.0 0.0
943 5.8 10.6 2.9 547.3 1850.6 0.0 6.7 0.0 0.0
943 11.9 9.7 7.5 790.5 1295.8 0.0 9.6 0.0 0.0
944 5.8 10.7 2.9 550.8 1871.0 0.0 6.7 0.0 0.0
944 11.9 9.7 7.5 790.5 1295.8 0.0 9.6 0.0 0.0
945 5.1 10.0 2.2 334.4 1858.9 0.0 3.0 0.0 0.0
945 11.9 8.7 7.5 791.5 1298.3 0.0 7.2 0.0 0.0
946 5.8 10.4 2.9 551.3 1877.7 0.0 5.0 0.0 0.0
946 11.9 8.7 7.5 791.5 1298.3 0.0 7.2 0.0 0.0
947 5.8 10.5 2.9 549.0 1864.6 0.0 4.8 0.0 0.0
947 11.9 8.7 7.5 791.5 1298.3 0.0 7.2 0.0 0.0
948 5.8 10.4 2.9 549.9 1863.4 0.0 5.0 0.0 0.0
948 11.9 8.7 7.5 791.5 1298.3 0.0 7.2 0.0 0.0
949 5.8 10.6 2.9 549.5 1855.0 0.0 5.0 0.0 0.0
949 11.9 8.7 7.5 791.5 1298.3 0.0 7.2 0.0 0.0
950 5.8 10.5 2.9 550.2 1837.2 0.0 5.0 0.0 0.0
950 11.9 8.7 7.5 791.5 1298.3 0.0 7.2 0.0 0.0
951 5.8 10.5 2.9 550.0 1876.8 0.0 5.0 0.0 0.0
951 11.9 8.7 7.5 791.5 1298.3 0.0 7.2 0.0 0.0
952 5.8 10.5 2.9 549.7 1866.1 0.0 5.0 0.0 0.0
952 11.9 8.7 7.5 791.5 1298.3 0.0 7.2 0.0 0.0
953 5.7 9.8 2.9 331.0 1777.0 0.0 3.7 0.0 0.0
953 11.9 10.0 7.5 790.2 1296.6 0.0 8.9 0.0 0.0
954 5.8 10.8 2.9 547.9 1749.8 0.0 6.2 0.0 0.0
954 11.9 10.0 7.5 790.2 1296.6 0.0 8.9 0.0 0.0
955 5.8 10.9 2.9 548.2 1739.4 0.0 6.1 0.0 0.0
955 11.9 10.0 7.5 790.2 1296.6 0.0 8.9 0.0 0.0
956 5.8 10.7 2.9 547.1 1736.6 0.0 6.1 0.0 0.0
956 11.9 10.0 7.5 790.2 1296.6 0.0 8.9 0.0 0.0
957 5.8 10.8 2.9 548.7 1776.0 0.0 6.2 0.0 0.0
957 11.9 10.0 7.5 790.2 1296.6 0.0 8.9 0.0 0.0
958 5.8 10.8 2.9 548.8 1762.6 0.0 6.2 0.0 0.0
958 11.9 10.0 7.5 790.2 1296.6 0.0 8.9 0.0 0.0
959 5.8 10.8 2.9 548.7 1730.6 0.0 6.2 0.0 0.0
959 11.9 10.0 7.5 790.2 1296.6 0.0 8.9 0.0 0.0
960 5.8 10.8 2.9 546.7 1735.1 0.0 6.2 0.0 0.0
960 11.9 10.0 7.5 790.2 1296.6 0.0 8.9 0.0 0.0
961 5.7 9.6 2.9 333.8 1857.5 0.0 1.9 0.0 0.0
961 11.9 9.2 7.5 791.0 1301.1 0.0 4.4 0.0 0.0
962 5.8 10.7 2.9 545.8 1874.7 0.0 3.1 0.0 0.0
962 11.9 9.2 7.5 791.0 1301.1 0.0 4.4 0.0 0.0
963 5.8 10.7 2.9 548.1 1869.3 0.0 3.1 0.0 0.0
963 11.9 9.2 7.5 791.0 1301.1 0.0 4.4 0.0 0.0
964 5.8 10.8 2.9 548.6 1883.0 0.0 3.1 0.0 0.0
964 11.9 9.2 7.5 791.0 1301.1 0.0 4.4 0.0 0.0
965 5.7 10.8 2.9 549.8 1860.1 0.0 3.1 0.0 0.0
965 11.9 9.2 7.5 791.0 1301.1 0.0 4.4 0.0 0.0
966 5.8 10.7 2.9 550.2 1838.0 0.0 3.1 0.0 0.0
966 11.9 9.2 7.5 791.0 1301.1 0.0 4.4 0.0 0.0
967 5.8 10.8 2.9 549.3 1872.5 0.0 3.1 0.0 0.0
967 11.9 9.2 7.5 791.0 1301.1 0.0 4.4 0.0 0.0
968 5.8 11.0 2.9 549.7 1871.9 0.0 3.1 0.0 0.0
968 11.9 9.2 7.5 791.0 1301.1 0.0 4.4 0.0 0.0
969 6.1 9.3 3.1 331.0 1837.6 0.0 4.3 0.0 0.0
969 11.9 9.7 7.5 790.5 1295.3 0.0 10.2 0.0 0.0
970 6.1 10.5 3.1 551.0 1852.2 0.0 7.1 0.0 0.0
970 11.9 9.7 7.5 790.5 1295.3 0.0 10.2 0.0 0.0
971 6.1 10.6 3.0 549.3 1860.4 0.0 7.1 0.0 0.0
971 11.9 9.7 7.5 790.5 1295.3 0.0 10.2 0.0 0.0
972 6.0 10.4 3.0 546.9 1839.6 0.0 7.0 0.0 0.0
972 11.9 9.7 7.5 790.5 1295.3 0.0 10.2 0.0 0.0
973 6.1 10.5 3.1 549.1 1825.7 0.0 7.1 0.0 0.0
973 11.9 9.7 7.5 790.5 1295.3 0.0 10.2 0.0 0.0
974 6.1 10.5 3.0 548.7 1831.4 0.0 7.1 0.0 0.0
974 11.9 9.7 7.5 790.5 1295.3 0.0 10.2 0.0 0.0
975 6.1 10.6 3.1 548.9 1850.9 0.0 7.1 0.0 0.0
975 11.9 9.7 7.5 790.5 1295.3 0.0 10.2 0.0 0.0
976 6.1 10.6 3.1 547.2 1848.7 0.0 7.1 0.0 0.0
976 11.9 9.7 7.5 790.5 1295.3 0.0 10.2 0.0 0.0
977 5.7 9.6 2.9 334.7 1831.2 0.0 5.0 0.0 0.0
977 11.9 9.1 7.5 791.1 1293.7 0.0 11.7 0.0 0.0
978 5.9 10.7 2.9 547.6 1848.2 0.0 8.1 0.0 0.0
978 11.9 9.1 7.5 791.1 1293.7 0.0 11.7 0.0 0.0
979 5.8 10.8 2.9 549.5 1852.1 0.0 8.1 0.0 0.0
979 11.9 9.1 7.5 791.1 1293.7 0.0 11.7 0.0 0.0
980 5.8 10.9 2.9 549.6 1848.6 0.0 8.1 0.0 0.0
980 11.9 9.1 7.5 791.1 1293.7 0.0 11.7 0.0 0.0
981 5.8 10.8 2.9 549.2 1847.6 0.0 8.2 0.0 0.0
981 11.9 9.1 7.5 791.1 1293.7 0.0 11.7 0.0 0.0
982 5.8 10.9 2.9 548.8 1825.5 0.0 8.2 0.0 0.0
982 11.9 9.1 7.5 791.1 1293.7 0.0 11.7 0.0 0.0
983 5.8 10.7 2.9 547.8 1846.2 0.0 8.2 0.0 0.0
983 11.9 9.1 7.5 791.1 1293.7 0.0 11.7 0.0 0.0
984 5.8 10.8 2.9 549.3 1855.1 0.0 8.2 0.0 0.0
984 11.9 9.1 7.5 791.1 1293.7 0.0 11.7 0.0 0.0
985 5.7 9.3 2.9 337.9 1827.8 0.0 4.9 0.0 0.0
985 11.9 8.6 7.5 791.6 1293.9 0.0 11.6 0.0 0.0
986 5.9 10.5 2.9 550.4 1840.0 0.0 8.1 0.0 0.0
986 11.9 8.6 7.5 791.6 1293.9 0.0 11.6 0.0 0.0
987 5.8 10.4 2.9 548.5 1831.1 0.0 8.1 0.0 0.0
987 11.9 8.6 7.5 791.6 1293.9 0.0 11.6 0.0 0.0
988 5.8 10.4 2.9 549.8 1827.9 0.0 8.1 0.0 0.0
988 11.9 8.6 7.5 791.6 1293.9 0.0 11.6 0.0 0.0
989 5.8 10.5 2.9 550.5 1828.0 0.0 8.1 0.0 0.0
989 11.9 8.6 7.5 791.6 1293.9 0.0 11.6 0.0 0.0
990 5.8 10.4 2.9 550.2 1806.7 0.0 8.1 0.0 0.0
990 11.9 8.6 7.5 791.6 1293.9 0.0 11.6 0.0 0.0
991 5.8 10.5 2.9 548.8 1834.2 0.0 8.1 0.0 0.0
991 11.9 8.6 7.5 791.6 1293.9 0.0 11.6 0.0 0.0
992 5.8 10.5 2.9 542.9 1841.6 0.0 8.0 0.0 0.0
992 11.9 8.6 7.5 791.6 1293.9 0.0 11.6 0.0 0.0
993 5.7 10.0 2.9 335.0 1857.7 0.0 1.8 0.0 0.0
993 11.9 10.4 7.5 789.8 1301.3 0.0 4.2 0.0 0.0
994 5.9 11.3 3.0 549.0 1872.7 0.0 2.9 0.0 0.0
994 11.9 10.4 7.5 789.8 1301.3 0.0 4.2 0.0 0.0
995 5.9 11.3 3.0 548.7 1872.9 0.0 2.9 0.0 0.0
995 11.9 10.4 7.5 789.8 1301.3 0.0 4.2 0.0 0.0
996 5.9 11.4 3.0 546.0 1897.1 0.0 2.9 0.0 0.0
996 11.9 10.4 7.5 789.8 1301.3 0.0 4.2 0.0 0.0
997 5.8 11.2 2.9 543.9 1853.1 0.0 2.9 0.0 0.0
997 11.9 10.4 7.5 789.8 1301.3 0.0 4.2 0.0 0.0
998 5.9 11.3 3.0 547.5 1848.1 0.0 2.9 0.0 0.0
998 11.9 10.4 7.5 789.8 1301.3 0.0 4.2 0.0 0.0
999 5.8 11.4 2.9 548.2 1861.3 0.0 2.9 0.0 0.0
999 11.9 10.4 7.5 789.8 1301.3 0.0 4.2 0.0 0.0
1000 5.9 11.2 3.0 549.5 1863.3 0.0 2.9 0.0 0.0
1000 11.9 10.4 7.5 789.8 1301.3 0.0 4.2 0.0 0.0
1001 5.9 9.5 3.0 332.0 1843.6 0.0 4.9 0.0 0.0
1001 11.9 9.8 7.5 790.4 1293.7 0.0 11.8 0.0 0.0
1002 6.0 10.6 3.0 550.7 1860.6 0.0 8.2 0.0 0.0
1002 11.9 9.8 7.5 790.4 1293.7 0.0 11.8 0.0 0.0
1003 6.0 10.6 3.1 549.0 1847.1 0.0 8.2 0.0 0.0
1003 11.9 9.8 7.5 790.4 1293.7 0.0 11.8 0.0 0.0
1004 6.0 10.8 3.0 551.2 1848.5 0.0 8.1 0.0 0.0
1004 11.9 9.8 7.5 790.4 1293.7 0.0 11.8 0.0 0.0
1005 6.0 10.7 3.0 549.0 1837.8 0.0 8.2 0.0 0.0
1005 11.9 9.8 7.5 790.4 1293.7 0.0 11.8 0.0 0.0
1006 5.9 10.6 3.0 549.2 1825.0 0.0 8.2 0.0 0.0
1006 11.9 9.8 7.5 790.4 1293.7 0.0 11.8 0.0 0.0
1007 6.0 10.8 3.0 548.5 1877.6 0.0 8.2 0.0 0.0
1007 11.9 9.8 7.5 790.4 1293.7 0.0 11.8 0.0 0.0
1008 4.5 12.1 1.6 547.8 1864.0 0.0 8.1 0.0 0.0
1008 11.9 9.8 7.5 790.4 1293.7 0.0 11.8 0.0 0.0
1009 5.7 9.5 2.9 330.3 1840.6 0.0 4.1 0.0 0.0
1009 12.0 9.1 7.5 791.1 1295.8 0.0 9.7 0.0 0.0
1010 5.9 10.9 3.0 547.4 1852.3 0.0 6.7 0.0 0.0
1010 12.0 9.1 7.5 791.1 1295.8 0.0 9.7 0.0 0.0
1011 5.9 10.6 3.0 549.3 1842.9 0.0 6.7 0.0 0.0
1011 12.0 9.1 7.5 791.1 1295.8 0.0 9.7 0.0 0.0
1012 5.7 10.8 2.8 532.8 1837.4 0.0 6.5 0.0 0.0
1012 12.0 9.1 7.5 791.1 1295.8 0.0 9.7 0.0 0.0
1013 5.9 10.7 3.0 552.1 1831.3 0.0 6.7 0.0 0.0
1013 12.0 9.1 7.5 791.1 1295.8 0.0 9.7 0.0 0.0
1014 5.9 10.7 3.0 549.5 1818.1 0.0 6.7 0.0 0.0
1014 12.0 9.1 7.5 791.1 1295.8 0.0 9.7 0.0 0.0
1015 5.9 10.7 3.0 542.8 1849.4 0.0 6.7 0.0 0.0
1015 12.0 9.1 7.5 791.1 1295.8 0.0 9.7 0.0 0.0
1016 5.9 10.9 3.0 547.6 1857.3 0.0 6.7 0.0 0.0
1016 12.0 9.1 7.5 791.1 1295.8 0.0 9.7 0.0 0.0
1017 5.8 19.6 3.0 330.5 1863.5 0.0 4.9 0.0 0.0
1017 11.9 16.9 7.5 783.3 1293.8 0.0 11.7 0.0 0.0
1018 5.9 19.7 3.0 543.2 1871.0 0.0 8.1 0.0 0.0
1018 11.9 16.9 7.5 783.3 1293.8 0.0 11.7 0.0 0.0
1019 5.9 19.8 3.0 544.4 1867.0 0.0 8.1 0.0 0.0
1019 11.9 16.9 7.5 783.3 1293.8 0.0 11.7 0.0 0.0
1020 5.9 19.9 3.0 543.0 1863.3 0.0 8.1 0.0 0.0
1020 11.9 16.9 7.5 783.3 1293.8 0.0 11.7 0.0 0.0
1021 5.8 20.1 2.9 543.1 1880.6 0.0 7.9 0.0 0.0
1021 11.9 16.9 7.5 783.3 1293.8 0.0 11.7 0.0 0.0
1022 5.9 19.9 3.0 544.8 1851.5 0.0 8.1 0.0 0.0
1022 11.9 16.9 7.5 783.3 1293.8 0.0 11.7 0.0 0.0
1023 5.9 19.8 3.0 545.1 1867.7 0.0 8.1 0.0 0.0
1023 11.9 16.9 7.5 783.3 1293.8 0.0 11.7 0.0 0.0
1024 5.9 19.8 3.0 543.2 1877.1 0.0 8.0 0.0 0.0
1024 11.9 16.9 7.5 783.3 1293.8 0.0 11.7 0.0 0.0
averaged 5.9 32.6 3.0 506.5 1852.4 0.0 5.8 0.0 0.0
averaged 11.9 32.1 7.5 768.0 1296.8 0.0 8.7 0.0 0.0
1079134764 WORDS OF DYNAMIC MEMORY USED
EXECUTION OF GAMESS TERMINATED NORMALLY 00:18:43 04-AUG-2023
This is a threaded run. In some cases not all
threaded components in GAMESS will saturate the
total number of available threads on your system or
set by OMP_NUM_THREADS
DDI: 279416 bytes (0.3 MB / 0 MWords) used by master data server.
----------------------------------------
CPU timing information for all processes
========================================
0: 2649.658 + 598.726 = 3248.385
1: 2722.521 + 430.219 = 3152.741
2: 2660.134 + 600.70 = 3260.204
3: 2561.398 + 698.449 = 3259.848
4: 2558.24 + 644.507 = 3202.531
5: 2573.262 + 687.992 = 3261.254
6: 2579.583 + 701.859 = 3281.442
7: 2615.137 + 667.517 = 3282.655
8: 2480.233 + 776.207 = 3256.440
9: 2593.368 + 567.607 = 3160.975
10: 2543.675 + 698.183 = 3241.858
11: 2536.758 + 732.963 = 3269.721
12: 2511.495 + 695.570 = 3207.66
13: 2496.232 + 778.358 = 3274.591
14: 2526.227 + 760.526 = 3286.754
15: 2527.292 + 769.970 = 3297.262
16: 2207.754 + 1055.380 = 3263.134
17: 2443.569 + 840.408 = 3283.978
18: 2447.651 + 823.71 = 3270.722
19: 2437.03 + 845.02 = 3282.05
20: 2436.268 + 806.210 = 3242.479
21: 2447.76 + 710.311 = 3157.387
22: 2441.224 + 849.203 = 3290.427
23: 2454.249 + 851.885 = 3306.134
24: 2412.724 + 830.421 = 3243.145
25: 2561.552 + 706.655 = 3268.207
26: 2544.938 + 697.414 = 3242.353
27: 2546.794 + 704.81 = 3250.875
28: 2482.247 + 742.616 = 3224.864
29: 2475.700 + 787.580 = 3263.280
30: 2509.83 + 759.497 = 3268.580
31: 2535.87 + 748.872 = 3283.960
32: 2205.955 + 1040.482 = 3246.438
33: 2444.721 + 826.626 = 3271.347
34: 2439.484 + 824.741 = 3264.225
35: 2442.573 + 806.764 = 3249.338
36: 2437.424 + 758.810 = 3196.234
37: 2409.362 + 853.56 = 3262.419
38: 2435.81 + 850.536 = 3285.617
39: 2445.92 + 841.844 = 3286.937
40: 2441.162 + 788.494 = 3229.656
41: 2590.499 + 664.350 = 3254.849
42: 2571.99 + 680.469 = 3251.569
43: 2584.614 + 608.868 = 3193.482
44: 2524.471 + 682.784 = 3207.255
45: 2515.42 + 719.257 = 3234.300
46: 2520.662 + 750.533 = 3271.195
47: 2586.438 + 681.430 = 3267.869
48: 2220.350 + 1052.739 = 3273.89
49: 2450.790 + 843.776 = 3294.566
50: 2451.203 + 836.967 = 3288.170
51: 2466.948 + 784.42 = 3250.990
52: 2441.228 + 833.248 = 3274.476
53: 2440.543 + 794.587 = 3235.130
54: 2444.400 + 862.348 = 3306.749
55: 2459.484 + 847.488 = 3306.973
56: 2223.798 + 1039.320 = 3263.118
57: 2458.408 + 831.94 = 3289.502
58: 2466.818 + 711.214 = 3178.33
59: 2441.959 + 842.634 = 3284.594
60: 2427.756 + 793.92 = 3220.849
61: 2421.248 + 858.134 = 3279.383
62: 2446.144 + 847.853 = 3293.998
63: 2450.173 + 852.662 = 3302.835
64: 2199.435 + 998.919 = 3198.354
65: 2392.444 + 827.570 = 3220.15
66: 2371.299 + 845.971 = 3217.270
67: 2396.972 + 820.179 = 3217.152
68: 2401.799 + 778.614 = 3180.414
69: 2377.828 + 826.857 = 3204.685
70: 2401.57 + 794.57 = 3195.115
71: 2393.494 + 839.417 = 3232.912
72: 2499.871 + 682.591 = 3182.462
73: 2601.346 + 600.354 = 3201.701
74: 2576.181 + 605.480 = 3181.662
75: 2604.426 + 576.302 = 3180.729
76: 2587.551 + 496.618 = 3084.170
77: 2501.816 + 691.939 = 3193.755
78: 2543.304 + 663.157 = 3206.462
79: 2580.952 + 633.533 = 3214.485
80: 2216.876 + 1043.434 = 3260.311
81: 2465.11 + 756.598 = 3221.610
82: 2427.361 + 840.388 = 3267.749
83: 2429.458 + 832.116 = 3261.575
84: 2411.331 + 834.442 = 3245.773
85: 2415.688 + 853.707 = 3269.395
86: 2443.372 + 848.182 = 3291.555
87: 2473.289 + 780.45 = 3253.334
88: 2204.697 + 1031.104 = 3235.801
89: 2438.647 + 822.271 = 3260.919
90: 2446.545 + 800.66 = 3246.612
91: 2426.927 + 796.887 = 3223.814
92: 2413.542 + 842.764 = 3256.306
93: 2388.903 + 878.302 = 3267.206
94: 2431.967 + 854.36 = 3286.03
95: 2449.701 + 829.392 = 3279.93
96: 2210.850 + 1044.852 = 3255.703
97: 2443.391 + 832.157 = 3275.549
98: 2454.835 + 739.973 = 3194.809
99: 2435.737 + 831.836 = 3267.573
100: 2426.608 + 793.940 = 3220.548
101: 2410.860 + 858.107 = 3268.967
102: 2441.672 + 841.743 = 3283.416
103: 2444.739 + 846.172 = 3290.911
104: 2174.516 + 985.900 = 3160.417
105: 2368.783 + 810.842 = 3179.626
106: 2341.469 + 820.169 = 3161.639
107: 2367.926 + 752.528 = 3120.454
108: 2377.268 + 747.931 = 3125.199
109: 2365.628 + 795.581 = 3161.210
110: 2357.962 + 830.549 = 3188.512
111: 2375.193 + 819.120 = 3194.314
112: 2231.73 + 1025.50 = 3256.124
113: 2462.614 + 811.25 = 3273.639
114: 2448.486 + 818.70 = 3266.557
115: 2391.604 + 877.378 = 3268.983
116: 2427.745 + 814.346 = 3242.91
117: 2415.713 + 850.651 = 3266.364
118: 2477.668 + 696.228 = 3173.896
119: 2459.372 + 832.74 = 3291.447
120: 2198.458 + 1024.516 = 3222.974
121: 2432.510 + 815.836 = 3248.346
122: 2453.936 + 677.827 = 3131.764
123: 2434.913 + 814.191 = 3249.104
124: 2427.837 + 732.131 = 3159.968
125: 2403.691 + 838.124 = 3241.815
126: 2421.549 + 838.73 = 3259.623
127: 2431.343 + 832.687 = 3264.31
128: 2204.320 + 1016.680 = 3221.00
129: 2443.693 + 799.467 = 3243.161
130: 2433.92 + 811.231 = 3244.324
131: 2442.757 + 763.09 = 3205.767
132: 2440.261 + 705.879 = 3146.141
133: 2407.144 + 840.543 = 3247.688
134: 2438.182 + 830.277 = 3268.459
135: 2459.684 + 817.19 = 3276.704
136: 2200.325 + 1041.909 = 3242.235
137: 2438.862 + 825.396 = 3264.259
138: 2455.107 + 709.144 = 3164.252
139: 2434.401 + 809.421 = 3243.823
140: 2411.837 + 828.192 = 3240.30
141: 2401.762 + 853.160 = 3254.922
142: 2434.445 + 849.975 = 3284.420
143: 2452.521 + 825.760 = 3278.281
144: 2198.734 + 1044.768 = 3243.503
145: 2433.464 + 828.630 = 3262.94
146: 2432.743 + 828.163 = 3260.906
147: 2439.988 + 803.44 = 3243.32
148: 2419.878 + 793.317 = 3213.196
149: 2399.200 + 857.87 = 3256.287
150: 2428.957 + 853.266 = 3282.224
151: 2453.671 + 793.392 = 3247.64
152: 2207.347 + 1040.593 = 3247.941
153: 2444.609 + 829.71 = 3273.680
154: 2466.946 + 714.380 = 3181.327
155: 2452.75 + 795.726 = 3247.801
156: 2428.981 + 818.217 = 3247.199
157: 2416.76 + 835.710 = 3251.787
158: 2433.158 + 852.268 = 3285.426
159: 2444.650 + 844.799 = 3289.450
160: 2218.121 + 1037.268 = 3255.390
161: 2469.217 + 773.185 = 3242.403
162: 2438.837 + 829.469 = 3268.306
163: 2431.660 + 828.782 = 3260.443
164: 2412.208 + 844.555 = 3256.763
165: 2441.422 + 747.936 = 3189.358
166: 2451.73 + 825.89 = 3276.162
167: 2444.479 + 848.975 = 3293.454
168: 2233.82 + 1059.172 = 3292.255
169: 2457.470 + 851.222 = 3308.692
170: 2456.584 + 796.885 = 3253.470
171: 2435.965 + 847.350 = 3283.316
172: 2426.252 + 860.808 = 3287.60
173: 2430.32 + 839.676 = 3269.709
174: 2451.701 + 876.883 = 3328.585
175: 2463.594 + 867.272 = 3330.867
176: 2225.743 + 1013.517 = 3239.260
177: 2461.568 + 774.702 = 3236.270
178: 2444.288 + 801.164 = 3245.452
179: 2438.927 + 808.38 = 3246.966
180: 2457.368 + 624.369 = 3081.738
181: 2410.658 + 843.138 = 3253.797
182: 2445.823 + 828.348 = 3274.172
183: 2470.902 + 792.18 = 3262.920
184: 2225.575 + 1029.790 = 3255.366
185: 2474.622 + 755.414 = 3230.36
186: 2444.235 + 824.08 = 3268.244
187: 2433.21 + 831.147 = 3264.168
188: 2439.289 + 774.413 = 3213.703
189: 2416.168 + 858.774 = 3274.942
190: 2451.435 + 845.527 = 3296.963
191: 2474.773 + 776.960 = 3251.733
192: 2219.600 + 1048.979 = 3268.580
193: 2453.443 + 833.925 = 3287.369
194: 2443.821 + 805.50 = 3248.872
195: 2428.204 + 852.26 = 3280.231
196: 2425.406 + 789.399 = 3214.805
197: 2409.205 + 861.466 = 3270.672
198: 2433.548 + 872.503 = 3306.51
199: 2447.679 + 854.347 = 3302.26
200: 2218.830 + 1033.949 = 3252.779
201: 2445.738 + 827.847 = 3273.586
202: 2449.168 + 821.947 = 3271.116
203: 2483.910 + 642.163 = 3126.74
204: 2434.814 + 819.188 = 3254.02
205: 2414.657 + 849.397 = 3264.55
206: 2444.62 + 840.19 = 3284.81
207: 2458.994 + 837.25 = 3296.19
208: 2221.867 + 1032.827 = 3254.695
209: 2462.692 + 790.200 = 3252.893
210: 2464.159 + 736.864 = 3201.23
211: 2447.361 + 828.162 = 3275.524
212: 2454.805 + 745.61 = 3199.867
213: 2418.862 + 854.210 = 3273.72
214: 2452.368 + 839.287 = 3291.656
215: 2464.908 + 829.327 = 3294.235
216: 2236.415 + 1026.910 = 3263.326
217: 2460.893 + 827.451 = 3288.344
218: 2477.525 + 759.431 = 3236.956
219: 2463.498 + 820.942 = 3284.441
220: 2439.127 + 832.427 = 3271.554
221: 2431.489 + 857.275 = 3288.764
222: 2469.447 + 825.502 = 3294.949
223: 2468.383 + 843.978 = 3312.362
224: 2237.808 + 994.472 = 3232.281
225: 2475.274 + 774.927 = 3250.202
226: 2462.822 + 779.917 = 3242.740
227: 2457.382 + 784.355 = 3241.738
228: 2473.423 + 592.811 = 3066.235
229: 2462.423 + 690.612 = 3153.36
230: 2462.117 + 807.189 = 3269.306
231: 2472.485 + 797.810 = 3270.295
232: 2208.507 + 1021.754 = 3230.262
233: 2437.64 + 809.938 = 3247.03
234: 2429.155 + 817.224 = 3246.380
235: 2438.245 + 789.698 = 3227.944
236: 2429.755 + 712.844 = 3142.599
237: 2412.489 + 836.744 = 3249.234
238: 2434.66 + 831.250 = 3265.317
239: 2451.09 + 822.01 = 3273.11
240: 2221.289 + 1012.946 = 3234.235
241: 2460.327 + 796.138 = 3256.465
242: 2450.572 + 803.515 = 3254.87
243: 2487.532 + 570.31 = 3057.563
244: 2433.315 + 776.385 = 3209.701
245: 2420.239 + 828.53 = 3248.292
246: 2453.202 + 816.83 = 3269.285
247: 2460.359 + 817.990 = 3278.350
248: 2221.704 + 1015.699 = 3237.404
249: 2451.694 + 807.529 = 3259.223
250: 2453.201 + 750.871 = 3204.72
251: 2433.754 + 812.574 = 3246.329
252: 2453.301 + 674.236 = 3127.537
253: 2414.546 + 849.752 = 3264.299
254: 2452.179 + 810.778 = 3262.958
255: 2454.865 + 822.121 = 3276.986
256: 2204.491 + 1011.171 = 3215.663
257: 2444.843 + 796.312 = 3241.155
258: 2442.164 + 797.895 = 3240.59
259: 2442.420 + 800.595 = 3243.16
260: 2445.455 + 625.103 = 3070.559
261: 2410.701 + 830.648 = 3241.349
262: 2449.323 + 772.732 = 3222.56
263: 2450.654 + 806.882 = 3257.537
264: 2221.697 + 1035.450 = 3257.147
265: 2450.148 + 831.972 = 3282.121
266: 2447.343 + 822.385 = 3269.728
267: 2449.500 + 774.170 = 3223.671
268: 2435.251 + 756.624 = 3191.876
269: 2420.383 + 844.814 = 3265.197
270: 2450.186 + 849.28 = 3299.215
271: 2448.80 + 852.695 = 3300.776
272: 2232.894 + 968.928 = 3201.822
273: 2455.368 + 800.857 = 3256.225
274: 2441.898 + 806.255 = 3248.154
275: 2442.27 + 803.776 = 3245.803
276: 2465.247 + 579.466 = 3044.713
277: 2423.910 + 816.962 = 3240.873
278: 2445.785 + 799.885 = 3245.671
279: 2450.413 + 821.62 = 3271.476
280: 2232.703 + 1011.387 = 3244.91
281: 2460.365 + 811.127 = 3271.492
282: 2466.741 + 775.737 = 3242.478
283: 2452.195 + 811.410 = 3263.605
284: 2464.110 + 702.367 = 3166.478
285: 2436.251 + 837.826 = 3274.77
286: 2459.81 + 831.923 = 3291.05
287: 2475.253 + 811.374 = 3286.627
288: 2200.709 + 989.451 = 3190.160
289: 2427.42 + 822.593 = 3249.636
290: 2403.749 + 835.448 = 3239.197
291: 2400.982 + 829.792 = 3230.775
292: 2398.56 + 784.125 = 3182.182
293: 2388.346 + 850.841 = 3239.188
294: 2419.213 + 798.68 = 3217.281
295: 2418.532 + 846.176 = 3264.708
296: 2200.914 + 1026.836 = 3227.751
297: 2441.499 + 805.772 = 3247.272
298: 2432.847 + 810.177 = 3243.24
299: 2427.549 + 820.917 = 3248.466
300: 2419.447 + 804.613 = 3224.61
301: 2430.105 + 745.287 = 3175.393
302: 2443.932 + 808.849 = 3252.781
303: 2450.701 + 820.441 = 3271.143
304: 2203.586 + 1030.658 = 3234.245
305: 2437.872 + 822.367 = 3260.240
306: 2431.31 + 820.482 = 3251.513
307: 2427.595 + 825.10 = 3252.605
308: 2420.207 + 795.73 = 3215.280
309: 2420.663 + 795.588 = 3216.252
310: 2438.480 + 831.410 = 3269.890
311: 2451.933 + 812.543 = 3264.477
312: 2195.536 + 1046.43 = 3241.579
313: 2451.209 + 746.54 = 3197.264
314: 2429.610 + 826.333 = 3255.944
315: 2428.382 + 832.885 = 3261.267
316: 2424.320 + 786.718 = 3211.39
317: 2403.865 + 853.672 = 3257.538
318: 2428.497 + 848.433 = 3276.931
319: 2421.151 + 844.380 = 3265.531
320: 2207.348 + 1065.266 = 3272.615
321: 2448.969 + 832.974 = 3281.943
322: 2434.652 + 848.955 = 3283.607
323: 2436.962 + 848.923 = 3285.886
324: 2429.374 + 845.103 = 3274.478
325: 2421.907 + 811.379 = 3233.287
326: 2436.920 + 873.423 = 3310.344
327: 2456.726 + 852.621 = 3309.347
328: 2213.300 + 1028.787 = 3242.87
329: 2449.661 + 815.974 = 3265.636
330: 2444.809 + 811.933 = 3256.743
331: 2451.649 + 783.315 = 3234.964
332: 2444.539 + 737.830 = 3182.369
333: 2428.386 + 807.248 = 3235.634
334: 2438.571 + 839.420 = 3277.991
335: 2453.57 + 830.901 = 3283.959
336: 2214.46 + 1018.780 = 3232.826
337: 2463.410 + 741.106 = 3204.516
338: 2447.398 + 762.852 = 3210.250
339: 2434.355 + 804.904 = 3239.260
340: 2453.761 + 639.505 = 3093.266
341: 2414.105 + 832.259 = 3246.364
342: 2439.650 + 826.908 = 3266.559
343: 2450.821 + 818.528 = 3269.349
344: 2228.681 + 1026.55 = 3254.736
345: 2477.829 + 763.277 = 3241.106
346: 2447.56 + 815.985 = 3263.41
347: 2449.635 + 818.152 = 3267.788
348: 2462.637 + 679.239 = 3141.877
349: 2430.906 + 843.248 = 3274.154
350: 2453.887 + 837.306 = 3291.194
351: 2478.566 + 791.253 = 3269.819
352: 2206.629 + 1034.484 = 3241.113
353: 2420.775 + 827.180 = 3247.955
354: 2426.56 + 751.732 = 3177.789
355: 2418.738 + 833.313 = 3252.52
356: 2404.812 + 786.831 = 3191.644
357: 2393.408 + 842.987 = 3236.396
358: 2402.676 + 865.384 = 3268.61
359: 2418.689 + 849.379 = 3268.68
360: 2207.322 + 1048.985 = 3256.307
361: 2456.567 + 830.119 = 3286.687
362: 2468.319 + 742.485 = 3210.805
363: 2456.892 + 821.794 = 3278.686
364: 2436.204 + 812.181 = 3248.386
365: 2420.513 + 855.80 = 3275.594
366: 2449.844 + 845.612 = 3295.456
367: 2455.611 + 854.295 = 3309.907
368: 2217.120 + 1061.06 = 3278.127
369: 2450.575 + 846.464 = 3297.40
370: 2453.637 + 817.583 = 3271.220
371: 2463.888 + 771.186 = 3235.75
372: 2430.947 + 817.188 = 3248.136
373: 2412.473 + 861.213 = 3273.687
374: 2440.06 + 870.630 = 3310.636
375: 2454.821 + 860.355 = 3315.176
376: 2186.641 + 1028.954 = 3215.595
377: 2422.294 + 817.585 = 3239.879
378: 2424.851 + 802.159 = 3227.11
379: 2414.680 + 829.334 = 3244.15
380: 2404.682 + 818.296 = 3222.979
381: 2405.689 + 777.711 = 3183.400
382: 2418.438 + 842.417 = 3260.856
383: 2444.191 + 789.575 = 3233.766
384: 2225.576 + 1030.450 = 3256.26
385: 2455.344 + 821.400 = 3276.745
386: 2443.76 + 827.395 = 3270.471
387: 2437.311 + 829.991 = 3267.302
388: 2421.839 + 815.913 = 3237.753
389: 2420.244 + 833.760 = 3254.05
390: 2438.533 + 855.124 = 3293.657
391: 2474.653 + 711.695 = 3186.349
392: 2203.865 + 1044.888 = 3248.753
393: 2433.172 + 836.495 = 3269.668
394: 2445.241 + 764.647 = 3209.889
395: 2422.357 + 839.752 = 3262.109
396: 2411.393 + 844.217 = 3255.611
397: 2408.612 + 855.530 = 3264.143
398: 2438.350 + 833.672 = 3272.22
399: 2454.238 + 837.312 = 3291.550
400: 2207.203 + 1052.929 = 3260.132
401: 2442.404 + 835.110 = 3277.515
402: 2435.359 + 828.462 = 3263.822
403: 2437.524 + 825.426 = 3262.951
404: 2428.244 + 810.983 = 3239.227
405: 2419.100 + 840.99 = 3259.200
406: 2471.595 + 705.303 = 3176.899
407: 2453.379 + 843.518 = 3296.898
408: 2214.412 + 1033.600 = 3248.13
409: 2446.610 + 822.398 = 3269.09
410: 2437.192 + 823.931 = 3261.124
411: 2437.489 + 824.736 = 3262.226
412: 2430.277 + 803.95 = 3233.373
413: 2421.214 + 795.662 = 3216.877
414: 2438.692 + 841.892 = 3280.584
415: 2476.238 + 697.412 = 3173.650
416: 2219.529 + 1034.130 = 3253.660
417: 2446.733 + 826.972 = 3273.705
418: 2439.269 + 827.322 = 3266.591
419: 2433.25 + 834.423 = 3267.448
420: 2420.759 + 832.635 = 3253.394
421: 2415.714 + 837.31 = 3252.746
422: 2473.412 + 697.138 = 3170.550
423: 2456.602 + 832.960 = 3289.563
424: 2214.737 + 1031.876 = 3246.614
425: 2451.507 + 816.212 = 3267.719
426: 2462.732 + 738.341 = 3201.74
427: 2435.01 + 823.335 = 3258.336
428: 2436.919 + 743.169 = 3180.89
429: 2414.212 + 854.54 = 3268.267
430: 2452.858 + 834.891 = 3287.749
431: 2465.231 + 827.216 = 3292.448
432: 2217.195 + 1048.783 = 3265.979
433: 2460.483 + 783.864 = 3244.348
434: 2436.145 + 840.630 = 3276.776
435: 2442.699 + 839.269 = 3281.969
436: 2423.334 + 842.182 = 3265.516
437: 2429.348 + 801.468 = 3230.817
438: 2440.595 + 850.382 = 3290.977
439: 2453.488 + 851.429 = 3304.918
440: 2176.595 + 1059.730 = 3236.325
441: 2414.966 + 838.856 = 3253.823
442: 2404.918 + 836.133 = 3241.52
443: 2400.531 + 849.40 = 3249.572
444: 2388.136 + 841.743 = 3229.880
445: 2376.938 + 857.366 = 3234.305
446: 2392.877 + 870.394 = 3263.272
447: 2417.26 + 843.931 = 3260.957
448: 2231.367 + 1008.847 = 3240.214
449: 2462.877 + 796.351 = 3259.229
450: 2455.904 + 795.466 = 3251.371
451: 2453.427 + 790.307 = 3243.735
452: 2470.119 + 618.917 = 3089.36
453: 2422.38 + 838.140 = 3260.179
454: 2471.416 + 789.103 = 3260.520
455: 2474.989 + 803.815 = 3278.804
456: 2227.313 + 1019.756 = 3247.69
457: 2464.51 + 791.534 = 3255.585
458: 2439.606 + 815.726 = 3255.333
459: 2443.555 + 806.74 = 3249.630
460: 2453.968 + 640.102 = 3094.70
461: 2417.537 + 842.449 = 3259.987
462: 2448.340 + 826.328 = 3274.669
463: 2466.204 + 802.872 = 3269.77
464: 2196.654 + 1025.140 = 3221.795
465: 2434.527 + 812.53 = 3246.581
466: 2440.241 + 796.201 = 3236.442
467: 2433.979 + 815.187 = 3249.166
468: 2432.907 + 650.983 = 3083.891
469: 2402.393 + 847.859 = 3250.252
470: 2433.991 + 831.533 = 3265.525
471: 2451.307 + 789.103 = 3240.411
472: 2204.302 + 1053.990 = 3258.293
473: 2427.596 + 846.478 = 3274.74
474: 2425.320 + 847.919 = 3273.240
475: 2429.102 + 804.815 = 3233.918
476: 2401.187 + 818.652 = 3219.840
477: 2400.623 + 872.893 = 3273.517
478: 2428.258 + 868.809 = 3297.67
479: 2446.616 + 836.682 = 3283.299
480: 2215.882 + 1030.216 = 3246.98
481: 2438.317 + 845.447 = 3283.764
482: 2429.946 + 825.752 = 3255.698
483: 2425.299 + 844.125 = 3269.425
484: 2416.956 + 775.540 = 3192.496
485: 2406.762 + 850.414 = 3257.177
486: 2429.117 + 870.767 = 3299.885
487: 2433.203 + 863.884 = 3297.87
488: 2199.941 + 1074.98 = 3274.40
489: 2438.304 + 851.361 = 3289.665
490: 2430.809 + 856.298 = 3287.107
491: 2424.358 + 859.356 = 3283.714
492: 2409.837 + 828.829 = 3238.667
493: 2397.889 + 885.992 = 3283.882
494: 2427.359 + 873.114 = 3300.474
495: 2443.121 + 824.497 = 3267.619
496: 2176.670 + 994.541 = 3171.211
497: 2384.486 + 805.937 = 3190.423
498: 2375.763 + 747.801 = 3123.564
499: 2368.641 + 818.930 = 3187.571
500: 2380.870 + 749.259 = 3130.130
501: 2374.221 + 803.371 = 3177.593
502: 2369.596 + 836.280 = 3205.877
503: 2401.92 + 802.737 = 3203.830
504: 2207.28 + 1057.307 = 3264.336
505: 2449.717 + 837.102 = 3286.819
506: 2434.689 + 846.624 = 3281.313
507: 2437.729 + 843.415 = 3281.144
508: 2437.984 + 803.426 = 3241.410
509: 2421.838 + 824.965 = 3246.803
510: 2432.902 + 863.868 = 3296.770
511: 2472.47 + 787.862 = 3259.909
512: 2192.763 + 1048.42 = 3240.805
513: 2434.95 + 823.713 = 3257.808
514: 2433.789 + 821.304 = 3255.94
515: 2433.243 + 827.255 = 3260.499
516: 2426.985 + 746.707 = 3173.693
517: 2398.935 + 841.346 = 3240.281
518: 2422.482 + 855.855 = 3278.337
519: 2435.16 + 846.594 = 3281.610
520: 2207.621 + 1032.51 = 3239.672
521: 2437.876 + 827.746 = 3265.623
522: 2432.270 + 826.999 = 3259.270
523: 2427.710 + 831.578 = 3259.289
524: 2416.197 + 784.825 = 3201.23
525: 2404.996 + 848.334 = 3253.331
526: 2434.223 + 844.894 = 3279.118
527: 2471.837 + 691.93 = 3162.931
528: 2208.963 + 1055.973 = 3264.936
529: 2444.500 + 841.832 = 3286.333
530: 2438.233 + 827.896 = 3266.130
531: 2436.319 + 839.489 = 3275.809
532: 2431.815 + 771.697 = 3203.513
533: 2402.944 + 873.830 = 3276.775
534: 2429.377 + 872.74 = 3301.451
535: 2448.619 + 842.200 = 3290.819
536: 2228.982 + 1016.32 = 3245.14
537: 2468.416 + 796.954 = 3265.371
538: 2452.360 + 809.402 = 3261.762
539: 2484.326 + 611.626 = 3095.952
540: 2440.566 + 783.226 = 3223.792
541: 2424.121 + 838.586 = 3262.708
542: 2451.902 + 828.793 = 3280.696
543: 2467.354 + 797.187 = 3264.542
544: 2209.436 + 1027.278 = 3236.715
545: 2443.103 + 816.499 = 3259.602
546: 2464.717 + 685.452 = 3150.169
547: 2437.568 + 820.612 = 3258.180
548: 2420.24 + 807.800 = 3227.825
549: 2418.994 + 803.832 = 3222.827
550: 2433.780 + 839.251 = 3273.32
551: 2455.452 + 821.326 = 3276.779
552: 2175.468 + 956.376 = 3131.844
553: 2368.546 + 795.82 = 3163.628
554: 2333.667 + 824.720 = 3158.388
555: 2353.102 + 810.869 = 3163.971
556: 2383.179 + 712.134 = 3095.313
557: 2374.267 + 774.598 = 3148.866
558: 2375.512 + 805.507 = 3181.20
559: 2375.37 + 811.504 = 3186.542
560: 2206.569 + 1037.285 = 3243.855
561: 2434.592 + 831.199 = 3265.791
562: 2448.629 + 811.259 = 3259.889
563: 2449.574 + 777.745 = 3227.320
564: 2409.458 + 852.603 = 3262.62
565: 2413.583 + 860.428 = 3274.11
566: 2447.80 + 850.777 = 3297.857
567: 2464.05 + 845.75 = 3309.81
568: 2151.363 + 1084.190 = 3235.554
569: 2447.458 + 807.944 = 3255.402
570: 2442.119 + 808.588 = 3250.707
571: 2468.197 + 651.572 = 3119.770
572: 2426.439 + 770.339 = 3196.779
573: 2415.480 + 808.444 = 3223.925
574: 2435.100 + 836.322 = 3271.423
575: 2458.495 + 813.636 = 3272.131
576: 2210.183 + 1038.256 = 3248.440
577: 2444.797 + 823.723 = 3268.520
578: 2442.697 + 815.515 = 3258.213
579: 2438.115 + 824.545 = 3262.660
580: 2424.787 + 818.700 = 3243.488
581: 2439.789 + 764.469 = 3204.259
582: 2447.610 + 833.659 = 3281.269
583: 2457.43 + 784.496 = 3241.539
584: 2217.106 + 1013.48 = 3230.154
585: 2443.477 + 826.850 = 3270.327
586: 2427.101 + 836.84 = 3263.185
587: 2420.700 + 839.999 = 3260.699
588: 2418.357 + 790.162 = 3208.520
589: 2410.765 + 818.75 = 3228.840
590: 2422.378 + 858.806 = 3281.184
591: 2433.250 + 856.101 = 3289.352
592: 2207.241 + 1019.26 = 3226.268
593: 2437.817 + 811.536 = 3249.353
594: 2449.829 + 705.226 = 3155.55
595: 2421.753 + 818.573 = 3240.327
596: 2414.689 + 815.498 = 3230.187
597: 2412.326 + 818.642 = 3230.969
598: 2435.878 + 782.681 = 3218.560
599: 2441.820 + 821.317 = 3263.138
600: 2216.686 + 1013.72 = 3229.758
601: 2451.657 + 803.703 = 3255.361
602: 2443.776 + 798.515 = 3242.291
603: 2435.198 + 807.167 = 3242.365
604: 2459.215 + 620.509 = 3079.724
605: 2419.632 + 831.738 = 3251.371
606: 2456.471 + 753.133 = 3209.604
607: 2462.241 + 799.633 = 3261.875
608: 2217.364 + 1024.54 = 3241.418
609: 2460.605 + 797.951 = 3258.556
610: 2443.273 + 806.481 = 3249.755
611: 2456.238 + 768.461 = 3224.699
612: 2427.219 + 683.414 = 3110.634
613: 2416.979 + 840.626 = 3257.606
614: 2439.414 + 830.833 = 3270.247
615: 2456.769 + 824.444 = 3281.214
616: 2226.23 + 1022.217 = 3248.241
617: 2483.282 + 725.953 = 3209.236
618: 2475.939 + 668.633 = 3144.573
619: 2441.513 + 820.320 = 3261.833
620: 2429.679 + 821.534 = 3251.213
621: 2416.76 + 844.338 = 3260.415
622: 2456.996 + 828.987 = 3285.984
623: 2466.531 + 819.373 = 3285.905
624: 2187.573 + 1057.447 = 3245.20
625: 2435.48 + 828.628 = 3263.677
626: 2438.43 + 829.278 = 3267.322
627: 2442.897 + 799.07 = 3241.904
628: 2429.785 + 796.325 = 3226.111
629: 2411.685 + 850.964 = 3262.649
630: 2430.312 + 855.110 = 3285.422
631: 2470.908 + 755.470 = 3226.378
632: 2196.584 + 1027.409 = 3223.993
633: 2435.619 + 808.491 = 3244.110
634: 2443.752 + 734.917 = 3178.670
635: 2420.259 + 820.721 = 3240.981
636: 2422.267 + 782.303 = 3204.571
637: 2399.683 + 849.274 = 3248.957
638: 2440.950 + 786.51 = 3227.01
639: 2441.98 + 824.141 = 3265.239
640: 2210.602 + 1028.43 = 3238.646
641: 2454.926 + 780.78 = 3235.04
642: 2433.881 + 804.794 = 3238.675
643: 2435.737 + 722.476 = 3158.214
644: 2407.500 + 821.558 = 3229.59
645: 2404.564 + 853.20 = 3257.584
646: 2427.583 + 844.02 = 3271.585
647: 2438.859 + 835.122 = 3273.982
648: 2205.273 + 1050.726 = 3255.999
649: 2425.411 + 847.59 = 3272.470
650: 2438.813 + 826.878 = 3265.692
651: 2446.549 + 827.460 = 3274.10
652: 2444.480 + 779.585 = 3224.65
653: 2429.767 + 817.730 = 3247.498
654: 2464.97 + 744.78 = 3208.176
655: 2459.631 + 837.805 = 3297.437
656: 2184.149 + 1045.234 = 3229.384
657: 2434.790 + 820.400 = 3255.191
658: 2428.792 + 819.694 = 3248.486
659: 2428.114 + 821.759 = 3249.874
660: 2427.465 + 773.279 = 3200.745
661: 2399.331 + 853.88 = 3252.419
662: 2457.331 + 688.835 = 3146.167
663: 2411.586 + 859.126 = 3270.713
664: 2219.94 + 1029.737 = 3248.831
665: 2451.526 + 817.697 = 3269.224
666: 2452.894 + 759.349 = 3212.244
667: 2440.45 + 821.552 = 3261.597
668: 2411.126 + 801.748 = 3212.875
669: 2412.879 + 844.381 = 3257.260
670: 2450.572 + 829.477 = 3280.50
671: 2485.03 + 693.907 = 3178.911
672: 2200.532 + 1010.803 = 3211.335
673: 2437.999 + 796.672 = 3234.672
674: 2424.507 + 799.435 = 3223.943
675: 2423.550 + 781.927 = 3205.477
676: 2443.850 + 611.364 = 3055.215
677: 2397.759 + 825.674 = 3223.434
678: 2430.140 + 820.628 = 3250.768
679: 2458.203 + 735.682 = 3193.885
680: 2217.587 + 1043.240 = 3260.828
681: 2454.823 + 830.926 = 3285.750
682: 2442.636 + 831.964 = 3274.600
683: 2439.248 + 830.25 = 3269.274
684: 2423.873 + 815.593 = 3239.466
685: 2412.475 + 863.804 = 3276.280
686: 2435.834 + 856.385 = 3292.220
687: 2483.852 + 677.491 = 3161.344
688: 2200.507 + 1055.195 = 3255.703
689: 2436.438 + 840.992 = 3277.430
690: 2430.599 + 839.778 = 3270.377
691: 2427.680 + 839.773 = 3267.454
692: 2411.882 + 820.836 = 3232.718
693: 2402.60 + 869.818 = 3271.879
694: 2436.267 + 827.573 = 3263.840
695: 2456.201 + 795.83 = 3251.284
696: 2193.926 + 1025.872 = 3219.799
697: 2431.468 + 811.131 = 3242.599
698: 2434.753 + 719.602 = 3154.356
699: 2384.140 + 838.542 = 3222.683
700: 2401.93 + 806.305 = 3207.398
701: 2385.271 + 847.806 = 3233.78
702: 2431.786 + 771.444 = 3203.230
703: 2425.844 + 834.916 = 3260.761
704: 2187.597 + 1054.215 = 3241.813
705: 2426.93 + 834.262 = 3260.356
706: 2419.575 + 826.685 = 3246.261
707: 2417.564 + 841.502 = 3259.66
708: 2408.844 + 776.465 = 3185.309
709: 2390.103 + 854.589 = 3244.692
710: 2411.316 + 844.526 = 3255.843
711: 2426.969 + 851.638 = 3278.608
712: 2203.944 + 1014.709 = 3218.653
713: 2443.459 + 791.437 = 3234.896
714: 2437.803 + 801.748 = 3239.552
715: 2471.615 + 635.442 = 3107.58
716: 2428.150 + 739.460 = 3167.611
717: 2405.181 + 831.547 = 3236.729
718: 2422.373 + 829.889 = 3252.263
719: 2448.633 + 809.587 = 3258.221
720: 2210.105 + 1027.959 = 3238.65
721: 2421.217 + 822.999 = 3244.216
722: 2434.707 + 815.145 = 3249.853
723: 2446.800 + 741.632 = 3188.433
724: 2416.69 + 794.410 = 3210.480
725: 2403.619 + 851.422 = 3255.41
726: 2429.359 + 834.176 = 3263.536
727: 2427.662 + 835.932 = 3263.594
728: 2213.392 + 1026.269 = 3239.662
729: 2437.939 + 820.80 = 3258.20
730: 2468.241 + 690.463 = 3158.704
731: 2437.85 + 828.280 = 3265.366
732: 2427.156 + 796.370 = 3223.527
733: 2412.360 + 852.247 = 3264.608
734: 2442.792 + 846.311 = 3289.103
735: 2466.30 + 790.241 = 3256.271
736: 2162.253 + 981.526 = 3143.780
737: 2361.136 + 781.07 = 3142.143
738: 2336.498 + 817.601 = 3154.100
739: 2365.923 + 789.157 = 3155.80
740: 2374.677 + 683.255 = 3057.933
741: 2353.281 + 798.486 = 3151.768
742: 2355.948 + 813.15 = 3168.964
743: 2356.332 + 819.643 = 3175.976
744: 2220.143 + 1020.330 = 3240.473
745: 2445.581 + 821.345 = 3266.927
746: 2443.281 + 811.28 = 3254.309
747: 2464.621 + 693.80 = 3157.701
748: 2423.782 + 817.82 = 3240.864
749: 2439.412 + 740.607 = 3180.20
750: 2447.34 + 832.617 = 3279.652
751: 2446.875 + 836.935 = 3283.810
752: 2210.150 + 1046.669 = 3256.819
753: 2431.674 + 860.640 = 3292.314
754: 2432.200 + 856.673 = 3288.874
755: 2432.185 + 855.755 = 3287.941
756: 2420.567 + 831.599 = 3252.166
757: 2406.105 + 882.09 = 3288.115
758: 2418.186 + 875.473 = 3293.660
759: 2441.236 + 861.221 = 3302.458
760: 2212.940 + 1023.313 = 3236.253
761: 2455.864 + 803.576 = 3259.441
762: 2451.685 + 805.914 = 3257.599
763: 2452.562 + 805.499 = 3258.61
764: 2444.240 + 704.768 = 3149.09
765: 2397.18 + 860.371 = 3257.389
766: 2439.22 + 848.445 = 3287.467
767: 2453.424 + 839.671 = 3293.96
768: 2193.307 + 1016.890 = 3210.198
769: 2432.87 + 804.590 = 3236.678
770: 2444.918 + 724.669 = 3169.587
771: 2431.113 + 804.226 = 3235.339
772: 2439.128 + 648.363 = 3087.492
773: 2395.517 + 832.32 = 3227.549
774: 2417.240 + 825.120 = 3242.361
775: 2407.401 + 835.557 = 3242.959
776: 2226.23 + 1036.808 = 3262.831
777: 2459.559 + 825.408 = 3284.968
778: 2454.67 + 779.945 = 3234.12
779: 2429.277 + 831.375 = 3260.652
780: 2439.932 + 834.585 = 3274.517
781: 2444.328 + 757.234 = 3201.563
782: 2446.250 + 853.262 = 3299.513
783: 2461.845 + 836.519 = 3298.364
784: 2219.674 + 1041.969 = 3261.644
785: 2475.115 + 703.559 = 3178.675
786: 2437.721 + 836.905 = 3274.626
787: 2438.301 + 833.842 = 3272.143
788: 2418.476 + 823.293 = 3241.770
789: 2412.499 + 863.70 = 3275.570
790: 2437.392 + 848.725 = 3286.118
791: 2452.551 + 811.714 = 3264.266
792: 2216.62 + 1028.307 = 3244.369
793: 2449.196 + 822.224 = 3271.421
794: 2444.237 + 818.563 = 3262.800
795: 2477.696 + 607.157 = 3084.853
796: 2435.855 + 771.48 = 3206.903
797: 2417.635 + 843.396 = 3261.32
798: 2446.317 + 838.985 = 3285.302
799: 2449.976 + 839.420 = 3289.397
800: 2208.104 + 1044.277 = 3252.381
801: 2464.774 + 729.565 = 3194.340
802: 2432.182 + 830.356 = 3262.538
803: 2425.452 + 834.569 = 3260.21
804: 2420.470 + 784.865 = 3205.335
805: 2403.53 + 860.362 = 3263.415
806: 2429.196 + 856.152 = 3285.349
807: 2444.492 + 828.883 = 3273.376
808: 2212.107 + 1046.720 = 3258.827
809: 2465.950 + 759.517 = 3225.467
810: 2438.587 + 825.843 = 3264.431
811: 2437.39 + 830.45 = 3267.84
812: 2422.181 + 834.841 = 3257.22
813: 2418.64 + 838.54 = 3256.118
814: 2439.629 + 856.06 = 3295.635
815: 2468.293 + 781.209 = 3249.503
816: 2230.262 + 995.26 = 3225.288
817: 2483.574 + 679.885 = 3163.460
818: 2456.135 + 784.597 = 3240.732
819: 2445.897 + 792.568 = 3238.465
820: 2468.393 + 579.516 = 3047.909
821: 2424.262 + 821.669 = 3245.932
822: 2452.980 + 808.652 = 3261.632
823: 2459.944 + 810.755 = 3270.699
824: 2189.589 + 1041.431 = 3231.21
825: 2397.431 + 859.378 = 3256.809
826: 2429.99 + 830.274 = 3259.373
827: 2433.61 + 810.127 = 3243.189
828: 2431.287 + 734.492 = 3165.779
829: 2396.597 + 854.466 = 3251.63
830: 2422.169 + 856.964 = 3279.134
831: 2431.945 + 847.392 = 3279.337
832: 2209.292 + 1048.590 = 3257.882
833: 2446.163 + 825.926 = 3272.90
834: 2439.520 + 825.638 = 3265.158
835: 2452.318 + 743.92 = 3195.411
836: 2434.294 + 828.981 = 3263.275
837: 2417.69 + 857.362 = 3274.432
838: 2436.390 + 860.508 = 3296.898
839: 2457.574 + 839.901 = 3297.476
840: 2197.677 + 1060.329 = 3258.06
841: 2434.995 + 838.890 = 3273.886
842: 2431.620 + 839.853 = 3271.474
843: 2428.982 + 844.957 = 3273.940
844: 2424.320 + 800.899 = 3225.219
845: 2402.888 + 855.516 = 3258.404
846: 2431.331 + 861.688 = 3293.20
847: 2442.357 + 830.873 = 3273.230
848: 2233.08 + 1024.945 = 3257.953
849: 2481.751 + 739.597 = 3221.348
850: 2450.564 + 808.413 = 3258.977
851: 2440.693 + 822.914 = 3263.607
852: 2437.672 + 820.985 = 3258.658
853: 2450.422 + 745.64 = 3195.487
854: 2443.606 + 848.144 = 3291.750
855: 2457.690 + 833.112 = 3290.803
856: 2217.986 + 1035.994 = 3253.980
857: 2471.263 + 774.549 = 3245.812
858: 2468.549 + 681.892 = 3150.441
859: 2436.133 + 826.614 = 3262.747
860: 2414.920 + 842.141 = 3257.61
861: 2413.88 + 859.469 = 3272.558
862: 2435.543 + 848.75 = 3283.618
863: 2459.388 + 823.311 = 3282.699
864: 2199.645 + 1043.63 = 3242.708
865: 2442.704 + 818.654 = 3261.358
866: 2454.350 + 689.947 = 3144.298
867: 2420.819 + 825.894 = 3246.713
868: 2410.767 + 807.128 = 3217.895
869: 2405.963 + 840.140 = 3246.103
870: 2429.814 + 847.793 = 3277.608
871: 2442.272 + 839.756 = 3282.29
872: 2211.04 + 1022.46 = 3233.50
873: 2448.986 + 810.943 = 3259.930
874: 2449.352 + 785.601 = 3234.953
875: 2436.923 + 808.806 = 3245.730
876: 2458.52 + 651.575 = 3109.627
877: 2420.177 + 838.328 = 3258.505
878: 2456.278 + 811.935 = 3268.214
879: 2464.337 + 813.904 = 3278.242
880: 2205.466 + 1044.43 = 3249.509
881: 2442.895 + 826.372 = 3269.267
882: 2432.269 + 822.906 = 3255.175
883: 2428.196 + 828.998 = 3257.195
884: 2421.360 + 797.560 = 3218.921
885: 2422.713 + 749.878 = 3172.591
886: 2426.642 + 852.718 = 3279.360
887: 2445.340 + 844.614 = 3289.954
888: 2231.421 + 1012.640 = 3244.61
889: 2449.683 + 805.563 = 3255.246
890: 2443.725 + 811.150 = 3254.875
891: 2443.625 + 800.888 = 3244.513
892: 2460.717 + 634.114 = 3094.831
893: 2414.453 + 846.113 = 3260.566
894: 2450.98 + 828.567 = 3278.666
895: 2468.120 + 770.391 = 3238.512
896: 2226.684 + 1022.729 = 3249.414
897: 2453.645 + 815.386 = 3269.32
898: 2480.890 + 622.446 = 3103.336
899: 2439.801 + 814.469 = 3254.270
900: 2422.505 + 818.802 = 3241.308
901: 2408.874 + 850.724 = 3259.599
902: 2453.688 + 827.832 = 3281.521
903: 2468.808 + 785.876 = 3254.684
904: 2219.453 + 1023.773 = 3243.227
905: 2452.663 + 814.151 = 3266.815
906: 2444.208 + 813.793 = 3258.02
907: 2448.190 + 810.323 = 3258.514
908: 2473.178 + 580.273 = 3053.452
909: 2421.545 + 819.717 = 3241.263
910: 2438.854 + 844.705 = 3283.560
911: 2454.144 + 829.742 = 3283.887
912: 2217.304 + 1026.162 = 3243.467
913: 2461.998 + 781.399 = 3243.397
914: 2465.111 + 705.762 = 3170.873
915: 2433.988 + 816.613 = 3250.601
916: 2409.408 + 833.103 = 3242.512
917: 2410.683 + 846.393 = 3257.76
918: 2438.704 + 835.321 = 3274.26
919: 2456.565 + 808.860 = 3265.425
920: 2204.75 + 1063.938 = 3268.14
921: 2444.652 + 837.133 = 3281.785
922: 2434.722 + 844.509 = 3279.232
923: 2437.875 + 835.418 = 3273.294
924: 2436.579 + 719.104 = 3155.684
925: 2407.910 + 873.137 = 3281.47
926: 2429.681 + 873.941 = 3303.623
927: 2450.645 + 852.686 = 3303.332
928: 2203.12 + 1024.19 = 3227.31
929: 2431.945 + 816.91 = 3248.36
930: 2435.939 + 785.213 = 3221.153
931: 2427.541 + 814.789 = 3242.331
932: 2432.271 + 751.429 = 3183.700
933: 2420.198 + 762.48 = 3182.246
934: 2419.02 + 840.973 = 3259.975
935: 2436.693 + 823.623 = 3260.316
936: 2208.447 + 1034.806 = 3243.254
937: 2460.515 + 754.763 = 3215.278
938: 2430.250 + 821.00 = 3251.251
939: 2423.586 + 835.249 = 3258.836
940: 2422.498 + 777.30 = 3199.528
941: 2404.52 + 852.766 = 3256.819
942: 2429.926 + 840.714 = 3270.640
943: 2453.908 + 805.394 = 3259.303
944: 2217.759 + 1040.717 = 3258.477
945: 2459.624 + 825.647 = 3285.271
946: 2444.118 + 831.134 = 3275.252
947: 2444.25 + 820.712 = 3264.737
948: 2435.353 + 725.293 = 3160.647
949: 2418.123 + 858.58 = 3276.181
950: 2457.691 + 798.423 = 3256.115
951: 2446.475 + 855.433 = 3301.908
952: 2134.634 + 892.996 = 3027.631
953: 2329.486 + 720.921 = 3050.408
954: 2319.415 + 626.768 = 2946.184
955: 2315.455 + 728.279 = 3043.735
956: 2356.490 + 576.658 = 2933.149
957: 2343.231 + 698.472 = 3041.704
958: 2311.215 + 743.533 = 3054.748
959: 2313.677 + 740.654 = 3054.331
960: 2215.460 + 1042.735 = 3258.196
961: 2449.603 + 835.830 = 3285.434
962: 2446.542 + 831.719 = 3278.261
963: 2460.789 + 776.117 = 3236.906
964: 2439.43 + 808.525 = 3247.568
965: 2417.310 + 850.41 = 3267.351
966: 2450.956 + 804.560 = 3255.516
967: 2450.915 + 846.809 = 3297.725
968: 2196.230 + 1027.824 = 3224.55
969: 2436.45 + 807.973 = 3244.18
970: 2442.590 + 768.794 = 3211.384
971: 2418.982 + 828.363 = 3247.345
972: 2407.579 + 826.379 = 3233.959
973: 2412.818 + 798.144 = 3210.963
974: 2432.731 + 820.839 = 3253.570
975: 2428.909 + 837.556 = 3266.466
976: 2193.756 + 1044.592 = 3238.349
977: 2429.866 + 825.560 = 3255.427
978: 2435.673 + 811.571 = 3247.244
979: 2432.432 + 825.594 = 3258.27
980: 2430.926 + 752.214 = 3183.140
981: 2408.455 + 836.304 = 3244.760
982: 2428.100 + 845.500 = 3273.600
983: 2438.630 + 842.837 = 3281.467
984: 2193.403 + 1054.873 = 3248.277
985: 2424.430 + 844.739 = 3269.170
986: 2413.431 + 845.999 = 3259.430
987: 2411.505 + 835.598 = 3247.103
988: 2412.414 + 793.137 = 3205.552
989: 2390.738 + 874.667 = 3265.405
990: 2416.801 + 868.462 = 3285.264
991: 2418.119 + 864.510 = 3282.629
992: 2217.854 + 1024.748 = 3242.603
993: 2450.822 + 811.831 = 3262.653
994: 2450.543 + 806.559 = 3257.102
995: 2472.228 + 663.857 = 3136.85
996: 2425.696 + 775.571 = 3201.267
997: 2424.619 + 802.135 = 3226.754
998: 2438.505 + 828.533 = 3267.39
999: 2441.672 + 836.07 = 3277.679
1000: 2203.31 + 1039.822 = 3242.853
1001: 2444.941 + 819.07 = 3263.948
1002: 2429.951 + 805.987 = 3235.939
1003: 2433.651 + 818.678 = 3252.329
1004: 2420.552 + 801.910 = 3222.463
1005: 2407.948 + 850.199 = 3258.148
1006: 2459.997 + 680.256 = 3140.254
1007: 2444.153 + 837.108 = 3281.262
1008: 2197.142 + 1064.819 = 3261.962
1009: 2432.559 + 850.827 = 3283.387
1010: 2424.970 + 848.189 = 3273.159
1011: 2402.635 + 880.514 = 3283.150
1012: 2416.115 + 808.774 = 3224.889
1013: 2400.385 + 875.715 = 3276.100
1014: 2425.00 + 863.117 = 3288.117
1015: 2437.805 + 808.751 = 3246.556
1016: 2231.518 + 995.356 = 3226.875
1017: 2457.805 + 805.390 = 3263.195
1018: 2455.00 + 797.155 = 3252.155
1019: 2450.26 + 796.585 = 3246.612
1020: 2467.274 + 635.873 = 3103.148
1021: 2440.127 + 769.504 = 3209.632
1022: 2456.350 + 820.417 = 3276.767
1023: 2463.772 + 812.972 = 3276.745
1024: 888.584 + 1254.317 = 2142.902
1025: 879.674 + 1263.175 = 2142.849
1026: 887.953 + 1254.927 = 2142.880
1027: 882.776 + 1260.120 = 2142.897
1028: 881.63 + 1261.864 = 2142.927
1029: 877.712 + 1265.147 = 2142.859
1030: 884.294 + 1258.595 = 2142.889
1031: 896.278 + 1246.609 = 2142.888
1032: 859.309 + 1283.487 = 2142.796
1033: 879.13 + 1263.647 = 2142.660
1034: 878.859 + 1263.840 = 2142.700
1035: 882.706 + 1259.968 = 2142.675
1036: 869.481 + 1273.176 = 2142.657
1037: 884.228 + 1258.420 = 2142.648
1038: 883.871 + 1258.796 = 2142.668
1039: 894.41 + 1248.624 = 2142.665
1040: 887.77 + 1255.349 = 2142.427
1041: 885.444 + 1256.978 = 2142.422
1042: 885.182 + 1257.237 = 2142.420
1043: 889.667 + 1252.760 = 2142.427
1044: 890.545 + 1251.863 = 2142.409
1045: 885.708 + 1256.700 = 2142.408
1046: 895.442 + 1246.993 = 2142.435
1047: 895.956 + 1246.462 = 2142.418
1048: 896.984 + 1245.266 = 2142.251
1049: 884.209 + 1258.55 = 2142.265
1050: 888.935 + 1253.344 = 2142.279
1051: 888.150 + 1254.106 = 2142.257
1052: 883.267 + 1259.10 = 2142.278
1053: 885.374 + 1256.886 = 2142.261
1054: 884.108 + 1258.182 = 2142.291
1055: 891.792 + 1250.476 = 2142.268
1056: 879.972 + 1262.756 = 2142.729
1057: 883.284 + 1259.378 = 2142.663
1058: 883.591 + 1259.121 = 2142.713
1059: 885.744 + 1256.977 = 2142.721
1060: 887.896 + 1254.813 = 2142.709
1061: 885.714 + 1257.00 = 2142.714
1062: 885.65 + 1257.645 = 2142.711
1063: 897.830 + 1244.889 = 2142.719
1064: 873.703 + 1269.07 = 2142.710
1065: 883.16 + 1259.636 = 2142.652
1066: 885.944 + 1256.708 = 2142.653
1067: 874.640 + 1268.32 = 2142.672
1068: 875.836 + 1266.836 = 2142.672
1069: 893.769 + 1248.872 = 2142.641
1070: 886.693 + 1255.936 = 2142.630
1071: 897.656 + 1244.996 = 2142.652
1072: 883.271 + 1259.123 = 2142.394
1073: 881.181 + 1261.215 = 2142.397
1074: 878.867 + 1263.528 = 2142.396
1075: 886.329 + 1256.59 = 2142.388
1076: 867.45 + 1275.366 = 2142.412
1077: 883.207 + 1259.181 = 2142.389
1078: 887.599 + 1254.801 = 2142.400
1079: 900.49 + 1242.335 = 2142.385
1080: 884.642 + 1257.742 = 2142.385
1081: 901.569 + 1240.807 = 2142.377
1082: 887.02 + 1255.371 = 2142.373
1083: 889.258 + 1253.172 = 2142.431
1084: 887.383 + 1255.06 = 2142.389
1085: 887.790 + 1254.582 = 2142.372
1086: 874.344 + 1268.42 = 2142.386
1087: 897.407 + 1245.08 = 2142.415
1088: 887.438 + 1254.968 = 2142.406
1089: 876.217 + 1266.189 = 2142.406
1090: 877.995 + 1264.406 = 2142.401
1091: 887.937 + 1254.500 = 2142.437
1092: 871.478 + 1270.917 = 2142.396
1093: 885.158 + 1257.241 = 2142.399
1094: 878.948 + 1263.472 = 2142.420
1095: 897.43 + 1245.386 = 2142.430
1096: 885.50 + 1257.595 = 2142.646
1097: 890.462 + 1252.26 = 2142.489
1098: 898.572 + 1243.906 = 2142.479
1099: 889.208 + 1253.260 = 2142.468
1100: 901.659 + 1240.836 = 2142.495
1101: 889.501 + 1253.26 = 2142.527
1102: 876.301 + 1266.186 = 2142.488
1103: 893.917 + 1248.562 = 2142.480
1104: 885.789 + 1256.464 = 2142.253
1105: 887.440 + 1254.782 = 2142.222
1106: 878.203 + 1264.30 = 2142.233
1107: 887.619 + 1254.607 = 2142.227
1108: 891.342 + 1250.887 = 2142.230
1109: 886.883 + 1255.330 = 2142.213
1110: 887.445 + 1254.773 = 2142.219
1111: 912.296 + 1229.911 = 2142.208
1112: 880.57 + 1262.200 = 2142.258
1113: 879.110 + 1263.149 = 2142.259
1114: 879.518 + 1262.729 = 2142.247
1115: 881.714 + 1260.648 = 2142.362
1116: 874.429 + 1267.830 = 2142.259
1117: 878.136 + 1264.117 = 2142.253
1118: 878.853 + 1263.381 = 2142.235
1119: 891.778 + 1250.474 = 2142.252
1120: 885.713 + 1256.967 = 2142.681
1121: 886.343 + 1256.353 = 2142.697
1122: 880.373 + 1262.317 = 2142.690
1123: 884.209 + 1258.510 = 2142.719
1124: 883.674 + 1259.31 = 2142.705
1125: 880.785 + 1261.904 = 2142.690
1126: 878.265 + 1264.529 = 2142.795
1127: 899.162 + 1243.529 = 2142.691
1128: 887.563 + 1255.97 = 2142.661
1129: 883.930 + 1258.730 = 2142.660
1130: 883.984 + 1258.669 = 2142.653
1131: 881.455 + 1261.223 = 2142.678
1132: 889.817 + 1252.838 = 2142.656
1133: 890.607 + 1252.50 = 2142.657
1134: 884.762 + 1257.901 = 2142.663
1135: 895.276 + 1247.373 = 2142.650
1136: 881.560 + 1261.146 = 2142.706
1137: 878.24 + 1264.715 = 2142.739
1138: 900.271 + 1242.392 = 2142.663
1139: 880.786 + 1261.867 = 2142.654
1140: 887.202 + 1255.425 = 2142.628
1141: 884.463 + 1258.210 = 2142.674
1142: 881.573 + 1261.101 = 2142.674
1143: 899.410 + 1243.239 = 2142.649
1144: 885.742 + 1256.922 = 2142.664
1145: 887.820 + 1254.856 = 2142.676
1146: 882.676 + 1259.988 = 2142.665
1147: 883.262 + 1259.418 = 2142.680
1148: 890.725 + 1251.947 = 2142.673
1149: 889.474 + 1253.236 = 2142.711
1150: 875.578 + 1267.92 = 2142.671
1151: 901.784 + 1240.874 = 2142.658
1152: 880.285 + 1262.148 = 2142.433
1153: 883.391 + 1258.922 = 2142.314
1154: 887.704 + 1254.616 = 2142.320
1155: 894.358 + 1247.965 = 2142.324
1156: 883.720 + 1258.579 = 2142.299
1157: 878.323 + 1263.987 = 2142.311
1158: 883.220 + 1259.104 = 2142.324
1159: 887.597 + 1254.688 = 2142.285
1160: 875.560 + 1266.630 = 2142.191
1161: 894.862 + 1247.309 = 2142.171
1162: 880.827 + 1261.372 = 2142.200
1163: 885.967 + 1256.217 = 2142.185
1164: 885.683 + 1256.531 = 2142.214
1165: 891.50 + 1251.135 = 2142.186
1166: 882.522 + 1259.661 = 2142.184
1167: 923.191 + 1218.994 = 2142.185
1168: 889.219 + 1252.859 = 2142.79
1169: 876.08 + 1266.70 = 2142.78
1170: 887.552 + 1254.515 = 2142.68
1171: 887.261 + 1254.801 = 2142.63
1172: 892.116 + 1249.950 = 2142.67
1173: 877.434 + 1264.653 = 2142.87
1174: 883.483 + 1258.602 = 2142.86
1175: 895.405 + 1246.796 = 2142.201
1176: 888.729 + 1253.375 = 2142.104
1177: 887.614 + 1254.436 = 2142.50
1178: 864.862 + 1277.216 = 2142.78
1179: 880.825 + 1261.237 = 2142.63
1180: 880.650 + 1261.437 = 2142.87
1181: 883.919 + 1258.198 = 2142.118
1182: 880.919 + 1261.147 = 2142.66
1183: 897.23 + 1245.25 = 2142.48
1184: 881.937 + 1260.386 = 2142.324
1185: 882.494 + 1259.886 = 2142.380
1186: 886.338 + 1255.990 = 2142.328
1187: 880.718 + 1261.620 = 2142.338
1188: 871.135 + 1271.197 = 2142.332
1189: 887.439 + 1254.904 = 2142.343
1190: 888.714 + 1253.593 = 2142.308
1191: 898.504 + 1243.857 = 2142.361
1192: 882.91 + 1260.492 = 2142.583
1193: 879.663 + 1262.898 = 2142.561
1194: 889.849 + 1252.701 = 2142.551
1195: 883.322 + 1259.274 = 2142.596
1196: 884.224 + 1258.343 = 2142.568
1197: 885.638 + 1256.918 = 2142.557
1198: 878.825 + 1263.749 = 2142.575
1199: 902.282 + 1240.274 = 2142.556
1200: 884.946 + 1257.653 = 2142.600
1201: 877.987 + 1264.614 = 2142.602
1202: 883.781 + 1258.821 = 2142.602
1203: 886.389 + 1256.210 = 2142.600
1204: 885.935 + 1256.647 = 2142.582
1205: 876.106 + 1266.528 = 2142.635
1206: 879.719 + 1262.887 = 2142.607
1207: 903.324 + 1239.345 = 2142.669
1208: 889.435 + 1253.180 = 2142.615
1209: 880.71 + 1262.569 = 2142.640
1210: 894.116 + 1248.507 = 2142.623
1211: 884.960 + 1257.675 = 2142.636
1212: 881.144 + 1261.478 = 2142.623
1213: 883.173 + 1259.477 = 2142.651
1214: 884.65 + 1258.567 = 2142.633
1215: 895.821 + 1246.832 = 2142.653
1216: 888.220 + 1254.411 = 2142.632
1217: 857.809 + 1284.805 = 2142.614
1218: 885.350 + 1257.284 = 2142.634
1219: 888.520 + 1254.124 = 2142.645
1220: 884.880 + 1257.751 = 2142.631
1221: 894.790 + 1247.864 = 2142.654
1222: 878.621 + 1264.22 = 2142.643
1223: 911.436 + 1231.200 = 2142.636
1224: 885.344 + 1257.234 = 2142.579
1225: 888.410 + 1254.173 = 2142.584
1226: 886.717 + 1255.928 = 2142.646
1227: 882.853 + 1259.742 = 2142.595
1228: 881.565 + 1261.67 = 2142.632
1229: 880.818 + 1261.780 = 2142.598
1230: 886.534 + 1256.61 = 2142.596
1231: 902.502 + 1240.199 = 2142.701
1232: 886.533 + 1256.35 = 2142.569
1233: 888.512 + 1254.73 = 2142.585
1234: 879.318 + 1263.279 = 2142.598
1235: 877.387 + 1265.209 = 2142.596
1236: 880.756 + 1261.845 = 2142.601
1237: 883.144 + 1259.455 = 2142.600
1238: 886.994 + 1255.571 = 2142.566
1239: 899.539 + 1243.51 = 2142.590
1240: 894.19 + 1248.680 = 2142.700
1241: 896.722 + 1245.945 = 2142.668
1242: 878.296 + 1264.367 = 2142.663
1243: 886.548 + 1256.127 = 2142.675
1244: 888.512 + 1254.165 = 2142.678
1245: 889.532 + 1253.149 = 2142.682
1246: 874.640 + 1268.13 = 2142.654
1247: 899.06 + 1243.663 = 2142.669
1248: 884.276 + 1258.375 = 2142.652
1249: 879.536 + 1263.131 = 2142.668
1250: 892.510 + 1250.149 = 2142.659
1251: 873.203 + 1269.462 = 2142.666
1252: 878.547 + 1264.121 = 2142.669
1253: 890.769 + 1251.895 = 2142.665
1254: 884.623 + 1258.76 = 2142.700
1255: 889.486 + 1253.165 = 2142.651
1256: 888.834 + 1252.964 = 2141.798
1257: 880.353 + 1261.430 = 2141.784
1258: 881.07 + 1260.789 = 2141.796
1259: 870.842 + 1270.943 = 2141.785
1260: 884.329 + 1257.473 = 2141.803
1261: 882.243 + 1259.575 = 2141.819
1262: 877.825 + 1263.979 = 2141.804
1263: 919.273 + 1222.505 = 2141.778
1264: 885.770 + 1256.686 = 2142.457
1265: 883.235 + 1259.198 = 2142.434
1266: 869.648 + 1272.803 = 2142.452
1267: 880.906 + 1261.526 = 2142.432
1268: 884.221 + 1258.312 = 2142.534
1269: 883.536 + 1258.898 = 2142.434
1270: 886.23 + 1256.431 = 2142.455
1271: 881.516 + 1260.929 = 2142.446
1272: 888.738 + 1253.161 = 2141.900
1273: 872.605 + 1269.221 = 2141.827
1274: 898.476 + 1243.365 = 2141.841
1275: 894.513 + 1247.317 = 2141.831
1276: 887.924 + 1253.978 = 2141.903
1277: 884.251 + 1257.581 = 2141.833
1278: 871.444 + 1270.401 = 2141.846
1279: 903.996 + 1237.818 = 2141.815
1280: 885.384 + 1256.907 = 2142.292
1281: 883.491 + 1258.780 = 2142.272
1282: 884.506 + 1257.757 = 2142.263
1283: 876.154 + 1266.133 = 2142.287
1284: 884.654 + 1257.620 = 2142.274
1285: 884.998 + 1257.272 = 2142.270
1286: 848.928 + 1293.320 = 2142.249
1287: 896.330 + 1245.977 = 2142.308
1288: 876.987 + 1265.438 = 2142.426
1289: 880.63 + 1262.354 = 2142.418
1290: 884.772 + 1257.639 = 2142.412
1291: 883.642 + 1258.783 = 2142.426
1292: 881.287 + 1261.104 = 2142.392
1293: 886.375 + 1256.60 = 2142.436
1294: 887.833 + 1254.583 = 2142.417
1295: 878.457 + 1264.75 = 2142.532
1296: 902.168 + 1239.817 = 2141.985
1297: 899.529 + 1242.448 = 2141.978
1298: 888.783 + 1253.167 = 2141.951
1299: 899.187 + 1242.756 = 2141.944
1300: 894.797 + 1247.187 = 2141.984
1301: 888.656 + 1253.304 = 2141.961
1302: 895.364 + 1246.611 = 2141.975
1303: 887.786 + 1254.163 = 2141.949
1304: 886.40 + 1256.215 = 2142.255
1305: 889.266 + 1252.929 = 2142.196
1306: 884.913 + 1257.269 = 2142.183
1307: 882.105 + 1260.86 = 2142.191
1308: 877.625 + 1264.577 = 2142.202
1309: 869.575 + 1272.607 = 2142.183
1310: 885.71 + 1257.95 = 2142.167
1311: 894.560 + 1247.637 = 2142.198
1312: 882.672 + 1259.245 = 2141.917
1313: 884.39 + 1257.805 = 2141.844
1314: 886.948 + 1254.951 = 2141.899
1315: 894.829 + 1247.91 = 2141.921
1316: 885.217 + 1256.700 = 2141.918
1317: 881.777 + 1260.127 = 2141.905
1318: 882.892 + 1259.49 = 2141.941
1319: 899.566 + 1242.340 = 2141.906
1320: 883.427 + 1258.588 = 2142.15
1321: 883.711 + 1258.312 = 2142.24
1322: 888.115 + 1253.898 = 2142.13
1323: 884.853 + 1257.183 = 2142.37
1324: 872.154 + 1269.870 = 2142.24
1325: 887.654 + 1254.349 = 2142.03
1326: 891.732 + 1250.279 = 2142.11
1327: 892.148 + 1249.877 = 2142.26
1328: 879.346 + 1262.666 = 2142.13
1329: 898.230 + 1243.799 = 2142.29
1330: 890.533 + 1251.481 = 2142.14
1331: 887.283 + 1254.723 = 2142.07
1332: 888.202 + 1253.831 = 2142.33
1333: 876.161 + 1265.847 = 2142.08
1334: 881.257 + 1260.755 = 2142.12
1335: 897.14 + 1244.999 = 2142.14
1336: 900.04 + 1242.344 = 2142.348
1337: 891.593 + 1250.838 = 2142.432
1338: 879.855 + 1262.461 = 2142.316
1339: 889.67 + 1253.246 = 2142.314
1340: 886.400 + 1255.919 = 2142.320
1341: 895.840 + 1246.467 = 2142.307
1342: 888.52 + 1254.278 = 2142.330
1343: 875.119 + 1267.209 = 2142.328
1344: 869.39 + 1273.250 = 2142.289
1345: 865.177 + 1277.134 = 2142.311
1346: 874.40 + 1268.297 = 2142.338
1347: 872.998 + 1269.347 = 2142.346
1348: 875.512 + 1266.853 = 2142.366
1349: 872.213 + 1270.119 = 2142.332
1350: 869.183 + 1273.129 = 2142.313
1351: 889.651 + 1252.681 = 2142.332
1352: 857.565 + 1284.740 = 2142.305
1353: 858.444 + 1283.865 = 2142.309
1354: 875.728 + 1266.579 = 2142.308
1355: 883.224 + 1259.134 = 2142.358
1356: 899.94 + 1243.212 = 2142.306
1357: 883.922 + 1258.391 = 2142.313
1358: 874.596 + 1267.712 = 2142.309
1359: 898.955 + 1243.349 = 2142.305
1360: 873.901 + 1268.85 = 2141.987
1361: 881.388 + 1260.603 = 2141.992
1362: 880.476 + 1261.496 = 2141.973
1363: 884.986 + 1257.07 = 2141.993
1364: 886.307 + 1255.679 = 2141.986
1365: 886.224 + 1255.737 = 2141.961
1366: 883.849 + 1258.130 = 2141.980
1367: 895.517 + 1246.483 = 2142.01
1368: 878.981 + 1263.53 = 2142.34
1369: 873.930 + 1268.119 = 2142.49
1370: 883.690 + 1258.339 = 2142.29
1371: 886.935 + 1255.73 = 2142.09
1372: 885.263 + 1256.773 = 2142.36
1373: 880.363 + 1261.669 = 2142.32
1374: 884.49 + 1257.986 = 2142.36
1375: 894.222 + 1247.808 = 2142.31
1376: 898.708 + 1243.862 = 2142.571
1377: 886.114 + 1256.479 = 2142.593
1378: 881.355 + 1261.231 = 2142.586
1379: 886.121 + 1256.475 = 2142.597
1380: 879.229 + 1263.352 = 2142.582
1381: 881.464 + 1261.76 = 2142.540
1382: 886.979 + 1255.608 = 2142.587
1383: 901.989 + 1240.576 = 2142.566
1384: 885.612 + 1257.125 = 2142.737
1385: 881.511 + 1261.39 = 2142.550
1386: 880.912 + 1261.674 = 2142.587
1387: 885.503 + 1257.87 = 2142.591
1388: 884.797 + 1257.791 = 2142.588
1389: 887.851 + 1254.726 = 2142.578
1390: 904.71 + 1238.514 = 2142.585
1391: 896.210 + 1246.364 = 2142.574
1392: 899.320 + 1243.147 = 2142.468
1393: 893.829 + 1248.711 = 2142.541
1394: 884.460 + 1258.39 = 2142.500
1395: 894.737 + 1247.783 = 2142.520
1396: 887.617 + 1254.922 = 2142.539
1397: 885.486 + 1257.49 = 2142.535
1398: 894.897 + 1247.608 = 2142.505
1399: 897.152 + 1245.358 = 2142.511
1400: 885.102 + 1257.436 = 2142.538
1401: 888.849 + 1253.673 = 2142.522
1402: 890.123 + 1252.402 = 2142.525
1403: 888.595 + 1253.951 = 2142.546
1404: 883.337 + 1259.216 = 2142.554
1405: 893.265 + 1249.265 = 2142.530
1406: 889.411 + 1253.120 = 2142.532
1407: 901.564 + 1240.964 = 2142.529
1408: 895.657 + 1246.855 = 2142.512
1409: 886.28 + 1256.468 = 2142.496
1410: 886.377 + 1256.106 = 2142.484
1411: 889.942 + 1252.542 = 2142.485
1412: 896.151 + 1246.356 = 2142.507
1413: 906.528 + 1235.958 = 2142.486
1414: 890.520 + 1251.973 = 2142.493
1415: 867.508 + 1274.992 = 2142.501
1416: 877.822 + 1264.704 = 2142.526
1417: 881.784 + 1260.766 = 2142.551
1418: 886.803 + 1255.707 = 2142.510
1419: 881.588 + 1260.966 = 2142.555
1420: 864.805 + 1277.724 = 2142.530
1421: 886.185 + 1256.357 = 2142.543
1422: 897.77 + 1245.464 = 2142.541
1423: 914.362 + 1228.185 = 2142.548
1424: 888.212 + 1254.425 = 2142.638
1425: 882.413 + 1260.238 = 2142.652
1426: 899.653 + 1242.971 = 2142.625
1427: 885.712 + 1256.925 = 2142.638
1428: 879.793 + 1262.842 = 2142.635
1429: 895.850 + 1246.795 = 2142.646
1430: 888.32 + 1254.615 = 2142.648
1431: 899.365 + 1243.266 = 2142.632
1432: 896.367 + 1246.406 = 2142.774
1433: 890.410 + 1252.434 = 2142.845
1434: 894.135 + 1248.610 = 2142.746
1435: 891.834 + 1250.929 = 2142.764
1436: 894.699 + 1248.70 = 2142.770
1437: 887.445 + 1255.308 = 2142.754
1438: 892.875 + 1249.876 = 2142.751
1439: 894.25 + 1248.735 = 2142.761
1440: 881.982 + 1260.588 = 2142.571
1441: 878.908 + 1263.574 = 2142.483
1442: 876.839 + 1265.615 = 2142.454
1443: 889.667 + 1252.787 = 2142.454
1444: 880.566 + 1261.867 = 2142.434
1445: 881.681 + 1260.769 = 2142.451
1446: 883.88 + 1259.359 = 2142.448
1447: 898.768 + 1243.678 = 2142.447
1448: 875.857 + 1266.695 = 2142.553
1449: 845.69 + 1297.461 = 2142.530
1450: 898.419 + 1244.111 = 2142.531
1451: 866.527 + 1276.16 = 2142.543
1452: 883.129 + 1259.415 = 2142.545
1453: 877.357 + 1265.173 = 2142.530
1454: 889.844 + 1252.699 = 2142.543
1455: 893.35 + 1249.486 = 2142.521
1456: 884.841 + 1257.662 = 2142.504
1457: 879.73 + 1263.435 = 2142.508
1458: 886.438 + 1256.86 = 2142.525
1459: 884.27 + 1258.482 = 2142.509
1460: 880.795 + 1261.724 = 2142.520
1461: 884.586 + 1257.948 = 2142.534
1462: 883.79 + 1259.427 = 2142.507
1463: 894.344 + 1248.145 = 2142.489
1464: 884.886 + 1257.454 = 2142.340
1465: 886.563 + 1255.749 = 2142.312
1466: 887.113 + 1255.224 = 2142.337
1467: 879.439 + 1262.865 = 2142.305
1468: 866.108 + 1276.212 = 2142.321
1469: 876.430 + 1265.890 = 2142.320
1470: 881.196 + 1261.140 = 2142.336
1471: 895.215 + 1247.147 = 2142.362
1472: 899.537 + 1242.986 = 2142.524
1473: 909.112 + 1233.404 = 2142.517
1474: 899.301 + 1243.237 = 2142.539
1475: 878.499 + 1264.31 = 2142.530
1476: 893.88 + 1249.435 = 2142.524
1477: 902.730 + 1239.816 = 2142.547
1478: 904.378 + 1238.162 = 2142.540
1479: 896.82 + 1246.496 = 2142.579
1480: 882.454 + 1259.864 = 2142.319
1481: 884.217 + 1258.50 = 2142.267
1482: 877.954 + 1264.337 = 2142.291
1483: 883.949 + 1258.337 = 2142.287
1484: 872.25 + 1270.275 = 2142.301
1485: 886.474 + 1255.803 = 2142.278
1486: 887.582 + 1254.710 = 2142.292
1487: 896.141 + 1246.152 = 2142.294
1488: 885.709 + 1256.620 = 2142.330
1489: 884.285 + 1258.02 = 2142.287
1490: 893.685 + 1248.607 = 2142.293
1491: 885.461 + 1256.866 = 2142.327
1492: 890.910 + 1251.391 = 2142.301
1493: 889.956 + 1252.344 = 2142.301
1494: 887.511 + 1254.780 = 2142.291
1495: 896.320 + 1246.07 = 2142.328
1496: 881.799 + 1260.898 = 2142.698
1497: 883.654 + 1259.30 = 2142.685
1498: 883.536 + 1259.152 = 2142.688
1499: 880.719 + 1261.975 = 2142.695
1500: 878.415 + 1264.286 = 2142.701
1501: 883.77 + 1259.638 = 2142.715
1502: 893.160 + 1249.556 = 2142.717
1503: 892.836 + 1249.849 = 2142.685
1504: 892.325 + 1250.266 = 2142.591
1505: 875.49 + 1267.533 = 2142.582
1506: 893.575 + 1249.26 = 2142.601
1507: 886.272 + 1256.357 = 2142.629
1508: 885.190 + 1257.401 = 2142.591
1509: 882.953 + 1259.652 = 2142.606
1510: 886.497 + 1256.120 = 2142.617
1511: 896.835 + 1245.775 = 2142.610
1512: 849.892 + 1292.699 = 2142.591
1513: 898.427 + 1244.149 = 2142.577
1514: 904.732 + 1237.843 = 2142.576
1515: 884.132 + 1258.439 = 2142.571
1516: 881.676 + 1260.899 = 2142.576
1517: 880.243 + 1262.326 = 2142.570
1518: 880.45 + 1262.528 = 2142.574
1519: 900.800 + 1241.766 = 2142.566
1520: 881.784 + 1260.601 = 2142.386
1521: 886.02 + 1256.386 = 2142.388
1522: 886.73 + 1256.364 = 2142.437
1523: 883.185 + 1259.190 = 2142.376
1524: 888.348 + 1254.38 = 2142.386
1525: 885.533 + 1256.830 = 2142.364
1526: 888.241 + 1254.161 = 2142.403
1527: 903.182 + 1239.198 = 2142.380
1528: 883.902 + 1258.787 = 2142.689
1529: 886.662 + 1256.12 = 2142.675
1530: 887.413 + 1255.333 = 2142.746
1531: 884.446 + 1258.238 = 2142.685
1532: 882.701 + 1259.974 = 2142.676
1533: 885.828 + 1256.836 = 2142.664
1534: 882.722 + 1259.909 = 2142.632
1535: 883.936 + 1258.745 = 2142.682
1536: 889.107 + 1253.274 = 2142.382
1537: 884.238 + 1258.122 = 2142.360
1538: 887.556 + 1254.824 = 2142.381
1539: 881.200 + 1261.146 = 2142.346
1540: 884.721 + 1257.683 = 2142.405
1541: 885.961 + 1256.423 = 2142.384
1542: 876.995 + 1265.385 = 2142.380
1543: 900.181 + 1242.200 = 2142.381
1544: 879.101 + 1263.740 = 2142.841
1545: 873.820 + 1269.24 = 2142.845
1546: 875.920 + 1266.943 = 2142.864
1547: 871.340 + 1271.506 = 2142.847
1548: 880.205 + 1262.657 = 2142.862
1549: 870.426 + 1272.422 = 2142.848
1550: 879.150 + 1263.694 = 2142.844
1551: 880.976 + 1261.877 = 2142.853
1552: 895.683 + 1247.191 = 2142.874
1553: 880.471 + 1262.442 = 2142.914
1554: 888.915 + 1253.979 = 2142.894
1555: 881.132 + 1261.741 = 2142.873
1556: 883.164 + 1259.714 = 2142.879
1557: 879.976 + 1262.902 = 2142.879
1558: 885.476 + 1257.434 = 2142.910
1559: 862.241 + 1280.709 = 2142.950
1560: 873.836 + 1269.280 = 2143.116
1561: 885.364 + 1257.770 = 2143.134
1562: 887.428 + 1255.687 = 2143.115
1563: 890.624 + 1252.491 = 2143.116
1564: 883.880 + 1259.232 = 2143.112
1565: 884.145 + 1258.969 = 2143.114
1566: 892.151 + 1250.967 = 2143.119
1567: 883.532 + 1259.690 = 2143.222
1568: 883.910 + 1259.376 = 2143.286
1569: 869.434 + 1273.883 = 2143.317
1570: 882.155 + 1261.142 = 2143.297
1571: 899.619 + 1243.665 = 2143.285
1572: 893.205 + 1250.83 = 2143.288
1573: 873.360 + 1269.919 = 2143.279
1574: 890.561 + 1252.793 = 2143.355
1575: 884.263 + 1259.02 = 2143.266
1576: 887.762 + 1255.185 = 2142.948
1577: 889.49 + 1253.898 = 2142.947
1578: 899.33 + 1243.858 = 2142.891
1579: 892.293 + 1250.590 = 2142.884
1580: 878.155 + 1264.738 = 2142.893
1581: 877.268 + 1265.641 = 2142.909
1582: 887.255 + 1255.663 = 2142.919
1583: 885.983 + 1256.893 = 2142.877
1584: 886.179 + 1256.58 = 2142.238
1585: 876.502 + 1265.740 = 2142.243
1586: 883.620 + 1258.610 = 2142.231
1587: 890.448 + 1251.807 = 2142.255
1588: 884.564 + 1257.666 = 2142.230
1589: 890.103 + 1252.128 = 2142.231
1590: 880.824 + 1261.375 = 2142.200
1591: 883.846 + 1258.400 = 2142.246
1592: 874.951 + 1267.116 = 2142.67
1593: 889.294 + 1252.742 = 2142.36
1594: 876.700 + 1265.387 = 2142.87
1595: 881.631 + 1260.426 = 2142.57
1596: 885.755 + 1256.296 = 2142.52
1597: 874.417 + 1267.672 = 2142.89
1598: 884.416 + 1257.631 = 2142.48
1599: 882.146 + 1260.44 = 2142.191
1600: 882.92 + 1259.957 = 2142.49
1601: 879.171 + 1262.850 = 2142.21
1602: 880.678 + 1261.344 = 2142.23
1603: 881.298 + 1260.699 = 2141.998
1604: 877.908 + 1264.114 = 2142.22
1605: 881.573 + 1260.442 = 2142.15
1606: 882.923 + 1259.67 = 2141.990
1607: 885.05 + 1257.29 = 2142.34
1608: 879.789 + 1262.234 = 2142.24
1609: 894.725 + 1247.269 = 2141.995
1610: 886.899 + 1255.96 = 2141.996
1611: 877.120 + 1264.875 = 2141.995
1612: 878.524 + 1263.474 = 2141.998
1613: 876.309 + 1265.661 = 2141.971
1614: 876.673 + 1265.313 = 2141.987
1615: 882.396 + 1259.607 = 2142.03
1616: 882.201 + 1259.794 = 2141.995
1617: 878.804 + 1263.195 = 2141.999
1618: 877.685 + 1264.296 = 2141.981
1619: 888.400 + 1253.534 = 2141.934
1620: 889.603 + 1252.413 = 2142.17
1621: 866.428 + 1275.572 = 2142.01
1622: 887.246 + 1254.745 = 2141.991
1623: 892.387 + 1249.594 = 2141.981
1624: 888.390 + 1253.626 = 2142.17
1625: 885.912 + 1256.70 = 2141.982
1626: 887.662 + 1254.309 = 2141.972
1627: 888.516 + 1253.518 = 2142.34
1628: 896.357 + 1245.632 = 2141.989
1629: 880.925 + 1261.45 = 2141.970
1630: 891.424 + 1250.546 = 2141.970
1631: 890.201 + 1251.763 = 2141.964
1632: 881.397 + 1260.891 = 2142.288
1633: 877.551 + 1264.715 = 2142.267
1634: 891.205 + 1251.88 = 2142.293
1635: 887.667 + 1254.621 = 2142.288
1636: 875.02 + 1267.361 = 2142.364
1637: 873.752 + 1268.526 = 2142.278
1638: 876.270 + 1265.998 = 2142.268
1639: 877.200 + 1265.112 = 2142.313
1640: 893.796 + 1248.460 = 2142.257
1641: 879.493 + 1262.768 = 2142.261
1642: 884.911 + 1257.342 = 2142.254
1643: 882.552 + 1259.709 = 2142.262
1644: 879.420 + 1262.827 = 2142.247
1645: 882.147 + 1260.117 = 2142.265
1646: 885.547 + 1256.686 = 2142.234
1647: 884.847 + 1257.396 = 2142.244
1648: 877.615 + 1264.358 = 2141.973
1649: 881.556 + 1260.442 = 2141.998
1650: 888.424 + 1253.588 = 2142.12
1651: 883.79 + 1258.928 = 2142.08
1652: 886.375 + 1255.634 = 2142.10
1653: 890.570 + 1251.454 = 2142.24
1654: 878.936 + 1263.51 = 2141.987
1655: 886.672 + 1255.380 = 2142.52
1656: 884.26 + 1258.349 = 2142.375
1657: 885.553 + 1256.777 = 2142.331
1658: 889.62 + 1253.304 = 2142.366
1659: 902.330 + 1240.49 = 2142.379
1660: 887.840 + 1254.514 = 2142.354
1661: 885.781 + 1256.602 = 2142.383
1662: 879.999 + 1262.381 = 2142.380
1663: 880.869 + 1261.508 = 2142.378
1664: 875.126 + 1266.966 = 2142.93
1665: 867.220 + 1274.855 = 2142.75
1666: 875.857 + 1266.226 = 2142.83
1667: 894.908 + 1247.198 = 2142.107
1668: 872.926 + 1269.143 = 2142.70
1669: 853.222 + 1288.844 = 2142.66
1670: 881.490 + 1260.579 = 2142.69
1671: 878.806 + 1263.272 = 2142.78
1672: 892.320 + 1249.845 = 2142.165
1673: 874.738 + 1267.456 = 2142.195
1674: 880.466 + 1261.716 = 2142.182
1675: 874.995 + 1267.175 = 2142.170
1676: 883.835 + 1258.333 = 2142.168
1677: 880.127 + 1262.39 = 2142.167
1678: 878.878 + 1263.265 = 2142.143
1679: 891.903 + 1250.258 = 2142.162
1680: 879.954 + 1262.144 = 2142.98
1681: 887.992 + 1254.98 = 2142.91
1682: 888.602 + 1253.525 = 2142.128
1683: 883.438 + 1258.658 = 2142.97
1684: 885.510 + 1256.561 = 2142.72
1685: 883.164 + 1258.940 = 2142.104
1686: 885.969 + 1256.150 = 2142.120
1687: 888.100 + 1253.948 = 2142.49
1688: 883.731 + 1258.199 = 2141.930
1689: 889.625 + 1252.363 = 2141.988
1690: 885.388 + 1256.586 = 2141.975
1691: 891.394 + 1250.592 = 2141.987
1692: 881.677 + 1260.295 = 2141.973
1693: 882.369 + 1259.600 = 2141.970
1694: 883.528 + 1258.420 = 2141.949
1695: 889.883 + 1252.82 = 2141.966
1696: 886.278 + 1255.547 = 2141.826
1697: 885.200 + 1256.634 = 2141.834
1698: 874.945 + 1266.875 = 2141.821
1699: 881.08 + 1260.790 = 2141.798
1700: 880.669 + 1261.157 = 2141.827
1701: 891.425 + 1250.416 = 2141.842
1702: 880.236 + 1261.591 = 2141.827
1703: 888.902 + 1253.11 = 2141.914
1704: 855.570 + 1286.279 = 2141.849
1705: 885.922 + 1255.886 = 2141.808
1706: 886.571 + 1255.236 = 2141.807
1707: 883.150 + 1258.662 = 2141.812
1708: 884.35 + 1257.763 = 2141.799
1709: 876.741 + 1265.51 = 2141.793
1710: 884.882 + 1256.936 = 2141.818
1711: 886.29 + 1255.755 = 2141.785
1712: 887.811 + 1254.40 = 2141.851
1713: 876.468 + 1265.389 = 2141.857
1714: 888.384 + 1253.573 = 2141.957
1715: 867.527 + 1274.292 = 2141.820
1716: 879.769 + 1262.57 = 2141.827
1717: 883.916 + 1257.928 = 2141.844
1718: 876.955 + 1264.892 = 2141.847
1719: 879.772 + 1262.101 = 2141.873
1720: 904.825 + 1236.887 = 2141.713
1721: 878.500 + 1263.265 = 2141.766
1722: 885.98 + 1256.604 = 2141.702
1723: 875.288 + 1266.519 = 2141.807
1724: 878.238 + 1263.456 = 2141.695
1725: 880.84 + 1261.629 = 2141.714
1726: 884.100 + 1257.605 = 2141.705
1727: 888.877 + 1252.813 = 2141.690
1728: 881.555 + 1260.368 = 2141.923
1729: 885.102 + 1256.816 = 2141.918
1730: 888.368 + 1253.557 = 2141.925
1731: 880.406 + 1261.506 = 2141.912
1732: 872.108 + 1269.820 = 2141.929
1733: 881.573 + 1260.318 = 2141.892
1734: 886.394 + 1255.499 = 2141.894
1735: 879.271 + 1262.671 = 2141.942
1736: 874.417 + 1267.582 = 2141.999
1737: 887.397 + 1254.575 = 2141.973
1738: 879.921 + 1262.46 = 2141.967
1739: 873.435 + 1268.538 = 2141.974
1740: 891.834 + 1250.138 = 2141.973
1741: 874.09 + 1267.970 = 2141.979
1742: 891.540 + 1250.454 = 2141.994
1743: 888.604 + 1253.357 = 2141.962
1744: 884.331 + 1258.34 = 2142.365
1745: 886.573 + 1255.795 = 2142.369
1746: 871.206 + 1271.171 = 2142.377
1747: 886.443 + 1255.931 = 2142.374
1748: 877.364 + 1265.12 = 2142.376
1749: 878.236 + 1264.141 = 2142.377
1750: 882.487 + 1259.886 = 2142.374
1751: 890.775 + 1251.575 = 2142.351
1752: 886.711 + 1255.706 = 2142.418
1753: 887.368 + 1255.36 = 2142.405
1754: 889.47 + 1253.377 = 2142.424
1755: 881.386 + 1261.47 = 2142.433
1756: 879.718 + 1262.721 = 2142.440
1757: 884.272 + 1258.155 = 2142.427
1758: 884.706 + 1257.717 = 2142.423
1759: 891.681 + 1250.732 = 2142.414
1760: 878.152 + 1264.58 = 2142.210
1761: 897.402 + 1244.813 = 2142.216
1762: 878.714 + 1263.483 = 2142.197
1763: 886.10 + 1256.213 = 2142.224
1764: 877.60 + 1265.138 = 2142.199
1765: 888.132 + 1254.89 = 2142.222
1766: 882.627 + 1259.587 = 2142.214
1767: 886.778 + 1255.426 = 2142.205
1768: 897.480 + 1244.925 = 2142.406
1769: 894.552 + 1247.885 = 2142.437
1770: 887.353 + 1255.66 = 2142.419
1771: 893.161 + 1249.280 = 2142.442
1772: 897.196 + 1245.274 = 2142.471
1773: 903.942 + 1238.499 = 2142.442
1774: 897.500 + 1244.867 = 2142.368
1775: 881.482 + 1260.945 = 2142.428
1776: 879.332 + 1263.01 = 2142.334
1777: 896.833 + 1245.629 = 2142.462
1778: 875.681 + 1266.667 = 2142.349
1779: 877.524 + 1264.825 = 2142.349
1780: 879.958 + 1262.399 = 2142.357
1781: 883.151 + 1259.173 = 2142.325
1782: 884.184 + 1258.119 = 2142.304
1783: 891.718 + 1250.636 = 2142.355
1784: 886.943 + 1254.947 = 2141.890
1785: 882.539 + 1259.324 = 2141.863
1786: 879.842 + 1262.58 = 2141.900
1787: 862.445 + 1279.422 = 2141.867
1788: 889.848 + 1252.13 = 2141.862
1789: 887.63 + 1254.807 = 2141.870
1790: 881.170 + 1260.695 = 2141.866
1791: 888.382 + 1253.432 = 2141.814
1792: 821.682 + 1320.278 = 2141.961
1793: 872.206 + 1269.716 = 2141.923
1794: 881.413 + 1260.538 = 2141.951
1795: 876.563 + 1265.373 = 2141.937
1796: 867.832 + 1274.177 = 2142.09
1797: 878.982 + 1262.963 = 2141.945
1798: 870.690 + 1271.256 = 2141.946
1799: 876.551 + 1265.349 = 2141.900
1800: 885.603 + 1256.304 = 2141.908
1801: 884.911 + 1256.977 = 2141.889
1802: 881.686 + 1260.272 = 2141.959
1803: 885.862 + 1256.26 = 2141.888
1804: 889.565 + 1252.357 = 2141.922
1805: 883.359 + 1258.542 = 2141.901
1806: 880.711 + 1261.183 = 2141.895
1807: 887.353 + 1254.554 = 2141.908
1808: 881.583 + 1260.691 = 2142.274
1809: 883.368 + 1258.892 = 2142.261
1810: 884.784 + 1257.579 = 2142.364
1811: 886.232 + 1256.33 = 2142.266
1812: 882.552 + 1259.709 = 2142.261
1813: 882.729 + 1259.538 = 2142.267
1814: 893.184 + 1249.68 = 2142.253
1815: 879.822 + 1262.431 = 2142.253
1816: 880.217 + 1261.700 = 2141.917
1817: 887.468 + 1254.473 = 2141.942
1818: 884.924 + 1257.18 = 2141.943
1819: 888.456 + 1253.472 = 2141.929
1820: 890.923 + 1251.09 = 2141.932
1821: 883.874 + 1258.126 = 2142.01
1822: 883.385 + 1258.539 = 2141.924
1823: 882.470 + 1259.449 = 2141.919
1824: 886.372 + 1255.306 = 2141.679
1825: 886.75 + 1255.675 = 2141.750
1826: 876.630 + 1265.57 = 2141.688
1827: 880.549 + 1261.158 = 2141.708
1828: 878.799 + 1262.917 = 2141.717
1829: 884.348 + 1257.387 = 2141.735
1830: 886.44 + 1255.644 = 2141.688
1831: 878.152 + 1263.574 = 2141.726
1832: 885.847 + 1256.127 = 2141.974
1833: 868.818 + 1273.131 = 2141.950
1834: 883.681 + 1258.251 = 2141.932
1835: 880.738 + 1261.194 = 2141.932
1836: 888.224 + 1253.723 = 2141.948
1837: 883.50 + 1258.909 = 2141.960
1838: 888.247 + 1253.722 = 2141.969
1839: 885.361 + 1256.571 = 2141.933
1840: 885.206 + 1257.115 = 2142.322
1841: 884.540 + 1257.766 = 2142.307
1842: 883.776 + 1258.559 = 2142.335
1843: 885.546 + 1256.766 = 2142.313
1844: 860.977 + 1281.333 = 2142.310
1845: 879.586 + 1262.733 = 2142.319
1846: 869.12 + 1273.286 = 2142.298
1847: 889.99 + 1253.278 = 2142.378
1848: 884.369 + 1257.660 = 2142.29
1849: 870.989 + 1270.958 = 2141.948
1850: 887.762 + 1254.223 = 2141.985
1851: 887.658 + 1254.305 = 2141.963
1852: 880.626 + 1261.307 = 2141.933
1853: 893.891 + 1248.67 = 2141.958
1854: 883.567 + 1258.358 = 2141.926
1855: 888.360 + 1253.589 = 2141.950
1856: 870.293 + 1271.882 = 2142.176
1857: 875.636 + 1266.510 = 2142.146
1858: 883.585 + 1258.685 = 2142.270
1859: 875.816 + 1266.355 = 2142.171
1860: 854.50 + 1288.147 = 2142.197
1861: 886.118 + 1256.59 = 2142.177
1862: 885.526 + 1256.658 = 2142.184
1863: 887.403 + 1254.809 = 2142.212
1864: 879.08 + 1262.966 = 2141.975
1865: 889.787 + 1252.187 = 2141.975
1866: 865.304 + 1276.642 = 2141.947
1867: 880.557 + 1261.451 = 2142.08
1868: 881.929 + 1260.38 = 2141.967
1869: 884.981 + 1256.989 = 2141.971
1870: 884.903 + 1257.38 = 2141.941
1871: 881.980 + 1259.969 = 2141.950
1872: 878.889 + 1263.157 = 2142.46
1873: 883.536 + 1258.480 = 2142.17
1874: 886.206 + 1255.893 = 2142.99
1875: 886.336 + 1255.665 = 2142.02
1876: 889.658 + 1252.363 = 2142.21
1877: 881.704 + 1260.340 = 2142.45
1878: 883.551 + 1258.466 = 2142.17
1879: 872.745 + 1269.282 = 2142.27
1880: 897.468 + 1244.865 = 2142.334
1881: 886.935 + 1255.401 = 2142.337
1882: 872.961 + 1269.387 = 2142.349
1883: 882.675 + 1259.645 = 2142.320
1884: 884.960 + 1257.391 = 2142.351
1885: 884.91 + 1258.263 = 2142.355
1886: 884.850 + 1257.478 = 2142.329
1887: 886.211 + 1256.112 = 2142.324
1888: 886.223 + 1256.21 = 2142.245
1889: 867.51 + 1275.182 = 2142.233
1890: 886.340 + 1255.911 = 2142.252
1891: 882.949 + 1259.320 = 2142.270
1892: 885.102 + 1257.166 = 2142.269
1893: 882.470 + 1259.781 = 2142.252
1894: 891.831 + 1250.411 = 2142.243
1895: 887.776 + 1254.469 = 2142.246
1896: 886.431 + 1255.868 = 2142.299
1897: 884.687 + 1257.671 = 2142.359
1898: 887.867 + 1254.403 = 2142.271
1899: 888.644 + 1253.605 = 2142.249
1900: 877.363 + 1264.892 = 2142.256
1901: 887.733 + 1254.562 = 2142.296
1902: 886.965 + 1255.302 = 2142.268
1903: 876.423 + 1265.840 = 2142.264
1904: 884.255 + 1257.726 = 2141.982
1905: 883.623 + 1258.355 = 2141.979
1906: 897.547 + 1244.444 = 2141.992
1907: 885.710 + 1256.289 = 2142.00
1908: 883.747 + 1258.292 = 2142.39
1909: 883.767 + 1258.224 = 2141.991
1910: 891.962 + 1250.16 = 2141.979
1911: 884.841 + 1257.173 = 2142.14
1912: 881.750 + 1260.389 = 2142.140
1913: 881.662 + 1260.495 = 2142.158
1914: 882.481 + 1259.659 = 2142.141
1915: 886.686 + 1255.509 = 2142.195
1916: 883.975 + 1258.214 = 2142.189
1917: 880.91 + 1262.114 = 2142.206
1918: 873.372 + 1268.781 = 2142.154
1919: 878.430 + 1263.716 = 2142.146
1920: 896.54 + 1246.07 = 2142.62
1921: 880.492 + 1261.576 = 2142.68
1922: 889.686 + 1252.392 = 2142.78
1923: 881.481 + 1260.603 = 2142.85
1924: 882.70 + 1259.994 = 2142.64
1925: 891.690 + 1250.386 = 2142.76
1926: 889.106 + 1252.958 = 2142.64
1927: 887.943 + 1254.126 = 2142.69
1928: 889.750 + 1252.106 = 2141.856
1929: 908.716 + 1233.133 = 2141.850
1930: 884.167 + 1257.678 = 2141.845
1931: 882.201 + 1259.653 = 2141.855
1932: 886.17 + 1255.842 = 2141.860
1933: 878.776 + 1263.89 = 2141.865
1934: 884.680 + 1257.195 = 2141.876
1935: 886.809 + 1255.45 = 2141.855
1936: 881.973 + 1260.19 = 2141.993
1937: 884.773 + 1257.139 = 2141.912
1938: 875.751 + 1266.151 = 2141.903
1939: 874.886 + 1266.978 = 2141.865
1940: 881.977 + 1259.938 = 2141.916
1941: 873.13 + 1268.884 = 2141.897
1942: 884.568 + 1257.339 = 2141.908
1943: 885.17 + 1256.858 = 2141.875
1944: 883.23 + 1258.843 = 2141.867
1945: 872.502 + 1269.348 = 2141.851
1946: 892.122 + 1249.763 = 2141.885
1947: 886.121 + 1255.737 = 2141.859
1948: 887.541 + 1254.308 = 2141.850
1949: 856.93 + 1285.785 = 2141.878
1950: 881.932 + 1259.918 = 2141.850
1951: 887.422 + 1254.514 = 2141.936
1952: 879.427 + 1262.307 = 2141.734
1953: 880.446 + 1261.298 = 2141.745
1954: 880.136 + 1261.596 = 2141.733
1955: 880.175 + 1261.602 = 2141.778
1956: 883.586 + 1258.166 = 2141.752
1957: 874.228 + 1267.511 = 2141.740
1958: 884.708 + 1257.47 = 2141.755
1959: 871.935 + 1269.830 = 2141.765
1960: 875.76 + 1266.720 = 2141.796
1961: 879.830 + 1261.920 = 2141.750
1962: 895.423 + 1246.313 = 2141.737
1963: 880.256 + 1261.479 = 2141.735
1964: 896.646 + 1245.122 = 2141.768
1965: 879.845 + 1261.892 = 2141.738
1966: 887.918 + 1253.887 = 2141.806
1967: 890.676 + 1251.50 = 2141.726
1968: 881.792 + 1260.525 = 2142.318
1969: 888.436 + 1253.874 = 2142.310
1970: 886.487 + 1255.831 = 2142.318
1971: 881.22 + 1261.297 = 2142.319
1972: 879.271 + 1263.58 = 2142.330
1973: 885.903 + 1256.404 = 2142.308
1974: 866.489 + 1275.839 = 2142.329
1975: 883.994 + 1258.303 = 2142.298
1976: 878.119 + 1263.920 = 2142.40
1977: 888.84 + 1253.980 = 2142.64
1978: 900.782 + 1241.250 = 2142.33
1979: 876.79 + 1265.966 = 2142.46
1980: 880.258 + 1261.794 = 2142.52
1981: 901.353 + 1240.702 = 2142.56
1982: 876.254 + 1265.786 = 2142.40
1983: 887.764 + 1254.244 = 2142.09
1984: 884.295 + 1258.223 = 2142.518
1985: 881.13 + 1261.512 = 2142.525
1986: 883.930 + 1258.561 = 2142.492
1987: 898.713 + 1243.821 = 2142.535
1988: 886.280 + 1256.241 = 2142.522
1989: 881.61 + 1261.466 = 2142.527
1990: 881.881 + 1260.624 = 2142.506
1991: 879.882 + 1262.615 = 2142.498
1992: 867.643 + 1274.259 = 2141.902
1993: 881.184 + 1260.780 = 2141.965
1994: 889.329 + 1252.531 = 2141.861
1995: 873.286 + 1268.572 = 2141.859
1996: 869.849 + 1272.42 = 2141.891
1997: 868.89 + 1273.796 = 2141.885
1998: 881.140 + 1260.737 = 2141.877
1999: 888.226 + 1253.664 = 2141.891
2000: 887.176 + 1255.102 = 2142.278
2001: 882.195 + 1260.81 = 2142.277
2002: 872.831 + 1269.436 = 2142.268
2003: 886.321 + 1255.963 = 2142.285
2004: 884.152 + 1258.60 = 2142.212
2005: 877.897 + 1264.382 = 2142.280
2006: 877.98 + 1265.296 = 2142.395
2007: 883.486 + 1258.804 = 2142.291
2008: 885.162 + 1257.171 = 2142.333
2009: 887.609 + 1254.714 = 2142.324
2010: 883.566 + 1258.765 = 2142.332
2011: 868.710 + 1273.613 = 2142.323
2012: 890.362 + 1251.989 = 2142.351
2013: 884.183 + 1258.156 = 2142.340
2014: 896.459 + 1245.866 = 2142.326
2015: 891.03 + 1251.312 = 2142.316
2016: 877.258 + 1264.537 = 2141.796
2017: 881.208 + 1260.630 = 2141.839
2018: 885.365 + 1256.402 = 2141.768
2019: 887.946 + 1253.892 = 2141.839
2020: 880.208 + 1261.588 = 2141.796
2021: 878.278 + 1263.523 = 2141.801
2022: 880.493 + 1261.295 = 2141.788
2023: 881.964 + 1259.816 = 2141.781
2024: 883.25 + 1258.713 = 2141.739
2025: 851.191 + 1290.595 = 2141.787
2026: 884.233 + 1257.513 = 2141.747
2027: 886.162 + 1255.571 = 2141.734
2028: 883.541 + 1258.193 = 2141.734
2029: 885.263 + 1256.482 = 2141.746
2030: 879.165 + 1262.577 = 2141.742
2031: 886.613 + 1255.141 = 2141.755
2032: 885.765 + 1256.512 = 2142.277
2033: 886.567 + 1255.711 = 2142.278
2034: 889.506 + 1252.800 = 2142.307
2035: 888.267 + 1254.25 = 2142.293
2036: 887.947 + 1254.344 = 2142.292
2037: 888.609 + 1253.816 = 2142.426
2038: 875.890 + 1266.391 = 2142.282
2039: 885.649 + 1256.639 = 2142.288
2040: 881.641 + 1260.855 = 2142.496
2041: 877.748 + 1264.798 = 2142.546
2042: 879.554 + 1262.968 = 2142.523
2043: 887.453 + 1255.65 = 2142.518
2044: 883.532 + 1259.01 = 2142.534
2045: 875.02 + 1267.508 = 2142.511
2046: 885.831 + 1256.698 = 2142.529
2047: 883.347 + 1259.155 = 2142.503
----------------------------------------
----- accounting info -----
Files used on the parent node crusher003 were:
Fri 04 Aug 2023 12:19:11 AM EDT
4.520u 7.804s 36:20.50 0.5% 0+0k 17658+1832io 56pf+0w