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/chm135/359126
Input file supplied : msn_05frag_4600water_efmo_rimp2.rcut1_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 11:12:35 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 663070046674944 86343733088256 576725777581824 14% /lustre/orion
GAMESS temporary binary files will be written to /lustre/orion/scratch/saromleang/chm135/359126
GAMESS supplementary output files will be written to /lustre/orion/scratch/saromleang/chm135/359126/restart
limit stacksize 786432
unset echo
Copying input file msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.inp to your run's scratch directory...
cp msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.inp /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_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.rcut1_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.rcut1_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/chm135/359126/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.efp
setenv GAMMA /lustre/orion/scratch/saromleang/chm135/359126/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.gamma
setenv TRAJECT /lustre/orion/scratch/saromleang/chm135/359126/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.trj
setenv RESTART /lustre/orion/scratch/saromleang/chm135/359126/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.rst
setenv QMWAVE /lustre/orion/scratch/saromleang/chm135/359126/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.qmw
setenv MDDIP /lustre/orion/scratch/saromleang/chm135/359126/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.dip
setenv OPTHES1 /lustre/orion/scratch/saromleang/chm135/359126/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.hs1
setenv OPTHES2 /lustre/orion/scratch/saromleang/chm135/359126/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.hs2
setenv FCIDUMP /lustre/orion/scratch/saromleang/chm135/359126/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.FCIDUMP
setenv XYZ /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.xyz
setenv IRCDATA /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F04
setenv INPUT /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F05
setenv PUNCH /lustre/orion/scratch/saromleang/chm135/359126/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.dat
setenv NAMDRST /lustre/orion/scratch/saromleang/chm135/359126/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.namdrst
setenv AOINTS /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F08
setenv MOINTS /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F09
setenv DICTNRY /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F10
setenv DRTFILE /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F11
setenv CIVECTR /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F12
setenv CASINTS /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F13
setenv CIINTS /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F14
setenv WORK15 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F15
setenv WORK16 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F16
setenv CSFSAVE /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F17
setenv FOCKDER /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F18
setenv WORK19 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F19
setenv DASORT /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F20
setenv DIABDAT /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F21
setenv DFTINTS /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F21
setenv DFTGRID /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F22
setenv JKFILE /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F23
setenv ORDINT /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F24
setenv EFPIND /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F25
setenv PCMDATA /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F26
setenv PCMINTS /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F27
setenv SVPWRK1 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F26
setenv SVPWRK2 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F27
setenv COSCAV /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F26
setenv COSDATA /lustre/orion/scratch/saromleang/chm135/359126/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.cosmo
setenv COSPOT /lustre/orion/scratch/saromleang/chm135/359126/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.pot
setenv MLTPL /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F28
setenv MLTPLT /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F29
setenv DAFL30 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F30
setenv SOINTX /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F31
setenv SOINTY /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F32
setenv SOINTZ /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F33
setenv SORESC /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F34
setenv QOPWRF /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.wrf
setenv GCILIST /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F37
setenv HESSIAN /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F38
setenv QMMMTEI /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F39
setenv SOCCDAT /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F40
setenv AABB41 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F41
setenv BBAA42 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F42
setenv BBBB43 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F43
setenv REMD /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F44
setenv UNV /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F45
setenv UNPV /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F46
setenv MCQD50 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F50
setenv MCQD51 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F51
setenv MCQD52 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F52
setenv MCQD53 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F53
setenv MCQD54 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F54
setenv MCQD55 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F55
setenv MCQD56 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F56
setenv MCQD57 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F57
setenv MCQD58 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F58
setenv MCQD59 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F59
setenv MCQD60 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F60
setenv MCQD61 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F61
setenv MCQD62 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F62
setenv MCQD63 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F63
setenv MCQD64 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F64
setenv NMRINT1 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F61
setenv NMRINT2 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F62
setenv NMRINT3 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F63
setenv NMRINT4 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F64
setenv NMRINT5 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F65
setenv NMRINT6 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F66
setenv DCPHFH2 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F67
setenv DCPHF21 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F68
setenv ELNUINT /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F67
setenv NUNUINT /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F68
setenv GVVPT /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F69
setenv NUMOIN /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F69
setenv NUMOCAS /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F70
setenv NUELMO /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F71
setenv NUELCAS /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F72
setenv EPOVRLP /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F73
setenv RIVMAT /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F51
setenv RIT2A /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F52
setenv RIT3A /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F53
setenv RIT2B /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F54
setenv RIT3B /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F55
setenv KI /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F47
setenv BI /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F48
setenv PRMERI /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F49
setenv TRSERI /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F50
setenv PVP /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F51
setenv TPVPI /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F52
setenv TPVPJ /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F53
setenv PPVPP /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F54
setenv TPPVPP /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F55
setenv DEN2P1 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F70
setenv DEN2P2 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F71
setenv DEN2P3 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F72
setenv DEN2P4 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F73
setenv DEN2NM /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F74
setenv DEN2OPT /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F75
setenv GMCREF /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F70
setenv GMCO2R /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F71
setenv GMCROC /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F72
setenv GMCOOC /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F73
setenv GMCCC0 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F74
setenv GMCHMA /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F75
setenv GMCEI1 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F76
setenv GMCEI2 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F77
setenv GMCEOB /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F78
setenv GMCEDT /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F79
setenv GMCERF /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F80
setenv GMCHCR /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F81
setenv GMCGJK /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F82
setenv GMCGAI /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F83
setenv GMCGEO /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F84
setenv GMCTE1 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F85
setenv GMCTE2 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F86
setenv GMCHEF /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F87
setenv GMCMOL /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F88
setenv GMCMOS /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F89
setenv GMCWGT /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F90
setenv GMCRM2 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F91
setenv GMCRM1 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F92
setenv GMCR00 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F93
setenv GMCRP1 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F94
setenv GMCRP2 /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F95
setenv GMCVEF /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F96
setenv GMCDIN /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F97
setenv GMC2SZ /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F98
setenv GMCCCS /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F99
unset echo
This is a GDDI run, keeping various output files on local disks
setenv OUTPUT /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F06
setenv PUNCH /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F07
unset echo
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/359126/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.casino': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/359126/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.dmn': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/359126/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.cim': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/359126/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.cosmo': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/359126/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.pot': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/359126/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.gamma': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/359126/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.efp': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/359126/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.dip': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/359126/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.hs1': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/359126/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.hs2': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.F07': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/359126/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.qmw': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/359126/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.rst': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/359126/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-gpu.trj': No such file or directory
GDDI has to copy your input to every node ...
Creating /lustre/orion/scratch/saromleang/chm135/359126 on every node
Copying /lustre/orion/scratch/saromleang/chm135/359126/msn_05frag_4600water_efmo_rimp2.rcut1_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.rcut1_0128N-0128-gpu
cpu-bind=MASK - crusher078, task 816 0 [41623]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher037, task 336 0 [117513]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher003, task 0 0 [80094]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher148, task 1392 0 [116168]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher148, task 1393 1 [116169]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher060, task 624 0 [49762]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher078, task 817 1 [41624]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher037, task 337 1 [117514]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher003, task 1 1 [80095]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher148, task 1394 2 [116170]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher060, task 625 1 [49763]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher006, task 48 0 [59845]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher171, task 1744 0 [65353]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher135, task 1216 0 [122173]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher135, task 1217 1 [122174]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher159, task 1552 0 [103032]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher048, task 448 0 [25818]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher048, task 449 1 [25819]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher139, task 1264 0 [122227]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher069, task 704 0 [47623]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher029, task 272 0 [113345]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher140, task 1280 0 [64593]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher140, task 1281 1 [64594]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher015, task 128 0 [86472]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher053, task 512 0 [79888]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher011, task 80 0 [21421]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher011, task 81 1 [21422]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher078, task 818 2 [41625]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher037, task 338 2 [117515]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher003, task 2 2 [80096]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher148, task 1395 3 [116171]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher148, task 1396 4 [116172]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher060, task 626 2 [49764]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher006, task 49 1 [59846]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher167, task 1680 0 [39855]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher167, task 1681 1 [39856]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher098, task 1008 0 [2541]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher016, task 144 0 [115008]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher175, task 1776 0 [121226]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher175, task 1777 1 [121227]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher188, task 1968 0 [17360]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher178, task 1824 0 [23135]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher170, task 1728 0 [19662]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher185, task 1920 0 [97938]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher012, task 96 0 [46833]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher171, task 1745 1 [65354]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher135, task 1218 2 [122175]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher135, task 1219 3 [122176]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher159, task 1553 1 [103033]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher048, task 450 2 [25820]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher048, task 451 3 [25821]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher139, task 1265 1 [122228]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher058, task 592 0 [123296]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher058, task 593 1 [123297]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher082, task 880 0 [1465]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher055, task 544 0 [66357]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher055, task 545 1 [66358]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher186, task 1936 0 [95434]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher031, task 304 0 [90093]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher168, task 1696 0 [44858]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher176, task 1792 0 [106931]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher017, task 160 0 [90938]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher017, task 161 1 [90939]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher038, task 352 0 [29308]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher038, task 353 1 [29309]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher022, task 208 0 [56142]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher022, task 209 1 [56143]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher069, task 705 1 [47624]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher029, task 273 1 [113346]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher140, task 1282 2 [64595]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher015, task 129 1 [86473]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher053, task 513 1 [79889]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher011, task 82 2 [21423]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher039, task 368 0 [51800]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher039, task 369 1 [51801]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher169, task 1712 0 [25005]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher166, task 1664 0 [39155]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher166, task 1665 1 [39156]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher190, task 2000 0 [115183]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher177, task 1808 0 [62909]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher163, task 1616 0 [32589]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher042, task 416 0 [7334]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher056, task 560 0 [85673]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher133, task 1184 0 [128917]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher133, task 1185 1 [128918]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher057, task 576 0 [20552]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher030, task 288 0 [125137]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher158, task 1536 0 [102474]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher119, task 1152 0 [47474]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher119, task 1153 1 [47475]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher050, task 480 0 [9356]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher161, task 1584 0 [116429]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher161, task 1585 1 [116430]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher115, task 1104 0 [22715]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher141, task 1296 0 [20575]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher109, task 1056 0 [18984]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher085, task 912 0 [121996]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher063, task 672 0 [100229]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher073, task 768 0 [85326]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher073, task 769 1 [85327]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher155, task 1488 0 [76711]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher134, task 1200 0 [42512]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher145, task 1344 0 [94361]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher192, task 2032 0 [10546]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher028, task 256 0 [71329]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher179, task 1840 0 [82129]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher061, task 640 0 [116930]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher061, task 641 1 [116931]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher146, task 1360 0 [70934]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher013, task 112 0 [120455]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher092, task 976 0 [22686]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher121, task 1168 0 [63904]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher121, task 1169 1 [63905]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher074, task 784 0 [26974]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher143, task 1312 0 [6242]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher182, task 1888 0 [76867]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher064, task 688 0 [58821]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher008, task 64 0 [41274]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher156, task 1504 0 [120673]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher117, task 1120 0 [130953]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher078, task 819 3 [41626]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher037, task 339 3 [117516]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher003, task 3 3 [80097]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher148, task 1397 5 [116173]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher060, task 627 3 [49765]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher006, task 50 2 [59847]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher167, task 1682 2 [39857]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher167, task 1683 3 [39858]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher098, task 1009 1 [2542]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher016, task 145 1 [115009]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher175, task 1778 2 [121228]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher188, task 1969 1 [17361]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher178, task 1825 1 [23136]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher178, task 1826 2 [23137]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher170, task 1729 1 [19663]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher185, task 1921 1 [97939]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher185, task 1922 2 [97940]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher012, task 97 1 [46834]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher012, task 98 2 [46835]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher171, task 1746 2 [65355]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher135, task 1220 4 [122177]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher159, task 1554 2 [103034]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher048, task 452 4 [25822]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher139, task 1266 2 [122229]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher058, task 594 2 [123298]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher058, task 595 3 [123299]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher082, task 881 1 [1466]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher055, task 546 2 [66359]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher186, task 1937 1 [95435]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher031, task 305 1 [90094]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher168, task 1697 1 [44859]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher176, task 1793 1 [106932]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher017, task 162 2 [90940]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher017, task 163 3 [90941]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher038, task 354 2 [29310]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher038, task 355 3 [29311]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher022, task 210 2 [56144]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher069, task 706 2 [47625]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher029, task 274 2 [113347]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher140, task 1283 3 [64596]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher015, task 130 2 [86474]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher053, task 514 2 [79890]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher011, task 83 3 [21424]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher011, task 84 4 [21425]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher039, task 370 2 [51802]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher169, task 1713 1 [25006]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher166, task 1666 2 [39157]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher190, task 2001 1 [115184]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher177, task 1809 1 [62910]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher163, task 1617 1 [32590]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher163, task 1618 2 [32591]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher042, task 417 1 [7335]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher056, task 561 1 [85674]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher133, task 1186 2 [128919]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher057, task 577 1 [20553]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher030, task 289 1 [125138]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher158, task 1537 1 [102475]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher119, task 1154 2 [47476]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher050, task 481 1 [9357]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher161, task 1586 2 [116431]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher161, task 1587 3 [116432]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher115, task 1105 1 [22716]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher115, task 1106 2 [22717]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher141, task 1297 1 [20576]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher109, task 1057 1 [18985]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher085, task 913 1 [121997]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher063, task 673 1 [100230]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher073, task 770 2 [85328]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher073, task 771 3 [85329]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher155, task 1489 1 [76712]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher134, task 1201 1 [42513]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher145, task 1345 1 [94362]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher145, task 1346 2 [94363]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher192, task 2033 1 [10547]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher028, task 257 1 [71330]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher028, task 258 2 [71331]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher179, task 1841 1 [82130]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher061, task 642 2 [116932]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher146, task 1361 1 [70935]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher013, task 113 1 [120456]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher092, task 977 1 [22687]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher121, task 1170 2 [63906]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher074, task 785 1 [26975]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher143, task 1313 1 [6243]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher143, task 1314 2 [6244]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher182, task 1889 1 [76868]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher064, task 689 1 [58822]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher008, task 65 1 [41275]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher156, task 1505 1 [120674]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher117, task 1121 1 [130954]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher054, task 528 0 [123306]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher054, task 529 1 [123307]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher181, task 1872 0 [96019]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher043, task 432 0 [119873]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher191, task 2016 0 [1013]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher021, task 192 0 [55191]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher070, task 720 0 [59337]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher027, task 240 0 [10432]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher040, task 384 0 [20908]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher151, task 1440 0 [128674]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher081, task 864 0 [30740]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher138, task 1248 0 [10027]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher089, task 960 0 [120644]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher164, task 1632 0 [37663]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher087, task 928 0 [125641]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher079, task 832 0 [29876]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher004, task 16 0 [101630]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher071, task 736 0 [27096]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher041, task 400 0 [126460]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher165, task 1648 0 [43849]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher189, task 1984 0 [88683]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher189, task 1985 1 [88684]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher106, task 1024 0 [68314]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher052, task 496 0 [98014]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher149, task 1408 0 [102461]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher110, task 1072 0 [38136]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher162, task 1600 0 [16838]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher152, task 1456 0 [22023]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher152, task 1457 1 [22024]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher118, task 1136 0 [96306]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher096, task 992 0 [54973]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher096, task 993 1 [54974]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher113, task 1088 0 [41591]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher062, task 656 0 [49559]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher062, task 657 1 [49560]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher153, task 1472 0 [54713]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher032, task 320 0 [104080]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher032, task 321 1 [104081]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher157, task 1520 0 [94051]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher077, task 800 0 [69767]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher088, task 944 0 [111532]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher088, task 945 1 [111533]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher080, task 848 0 [86959]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher005, task 32 0 [4350]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher187, task 1952 0 [20558]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher160, task 1568 0 [4523]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher160, task 1569 1 [4524]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher025, task 224 0 [108426]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher150, task 1424 0 [128168]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher078, task 820 4 [41627]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher037, task 340 4 [117517]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher003, task 4 4 [80098]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher148, task 1398 6 [116174]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher060, task 628 4 [49766]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher006, task 51 3 [59848]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher167, task 1684 4 [39859]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher098, task 1010 2 [2543]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher016, task 146 2 [115010]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher175, task 1779 3 [121229]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher188, task 1970 2 [17362]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher178, task 1827 3 [23138]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher170, task 1730 2 [19664]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher185, task 1923 3 [97941]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher012, task 99 3 [46836]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher171, task 1747 3 [65356]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher135, task 1221 5 [122178]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher159, task 1555 3 [103035]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher048, task 453 5 [25823]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher139, task 1267 3 [122230]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher058, task 596 4 [123300]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher082, task 882 2 [1467]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher055, task 547 3 [66360]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher186, task 1938 2 [95436]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher031, task 306 2 [90095]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher168, task 1698 2 [44860]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher176, task 1794 2 [106933]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher017, task 164 4 [90942]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher038, task 356 4 [29312]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher022, task 211 3 [56145]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher069, task 707 3 [47626]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher029, task 275 3 [113348]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher140, task 1284 4 [64597]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher015, task 131 3 [86475]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher053, task 515 3 [79891]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher011, task 85 5 [21426]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher039, task 371 3 [51803]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher169, task 1714 2 [25007]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher166, task 1667 3 [39158]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher166, task 1668 4 [39159]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher190, task 2002 2 [115185]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher177, task 1810 2 [62911]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher163, task 1619 3 [32592]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher042, task 418 2 [7336]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher056, task 562 2 [85675]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher133, task 1187 3 [128920]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher057, task 578 2 [20554]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher030, task 290 2 [125139]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher158, task 1538 2 [102476]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher119, task 1155 3 [47477]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher050, task 482 2 [9358]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher161, task 1588 4 [116433]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher115, task 1107 3 [22718]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher141, task 1298 2 [20577]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher109, task 1058 2 [18986]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher085, task 914 2 [121998]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher063, task 674 2 [100231]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher073, task 772 4 [85330]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher155, task 1490 2 [76713]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher134, task 1202 2 [42514]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher145, task 1347 3 [94364]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher192, task 2034 2 [10548]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher028, task 259 3 [71332]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher179, task 1842 2 [82131]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher061, task 643 3 [116933]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher146, task 1362 2 [70936]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher013, task 114 2 [120457]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher092, task 978 2 [22688]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher121, task 1171 3 [63907]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher074, task 786 2 [26976]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher143, task 1315 3 [6245]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher182, task 1890 2 [76869]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher064, task 690 2 [58823]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher008, task 66 2 [41276]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher156, task 1506 2 [120675]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher117, task 1122 2 [130955]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher054, task 530 2 [123308]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher181, task 1873 1 [96020]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher043, task 433 1 [119874]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher191, task 2017 1 [1014]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher021, task 193 1 [55192]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher070, task 721 1 [59338]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher027, task 241 1 [10433]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher027, task 242 2 [10434]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher040, task 385 1 [20909]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher151, task 1441 1 [128675]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher081, task 865 1 [30741]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher138, task 1249 1 [10028]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher089, task 961 1 [120645]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher164, task 1633 1 [37664]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher087, task 929 1 [125642]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher087, task 930 2 [125643]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher079, task 833 1 [29877]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher004, task 17 1 [101631]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher071, task 737 1 [27097]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher041, task 401 1 [126461]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher041, task 402 2 [126462]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher165, task 1649 1 [43850]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher189, task 1986 2 [88685]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher106, task 1025 1 [68315]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher052, task 497 1 [98015]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher149, task 1409 1 [102462]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher110, task 1073 1 [38137]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher162, task 1601 1 [16839]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher152, task 1458 2 [22025]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher152, task 1459 3 [22026]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher118, task 1137 1 [96307]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher096, task 994 2 [54975]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher113, task 1089 1 [41592]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher062, task 658 2 [49561]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher062, task 659 3 [49562]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher153, task 1473 1 [54714]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher032, task 322 2 [104082]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher157, task 1521 1 [94052]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher077, task 801 1 [69768]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher088, task 946 2 [111534]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher080, task 849 1 [86960]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher005, task 33 1 [4351]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher187, task 1953 1 [20559]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher160, task 1570 2 [4525]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher160, task 1571 3 [4526]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher025, task 225 1 [108427]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher150, task 1425 1 [128169]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher144, task 1328 0 [40056]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher184, task 1904 0 [26426]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher147, task 1376 0 [61529]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher136, task 1232 0 [47803]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher018, task 176 0 [75375]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher083, task 896 0 [24434]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher049, task 464 0 [40750]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher049, task 465 1 [40751]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher072, task 752 0 [125553]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher059, task 608 0 [112737]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher172, task 1760 0 [85484]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher108, task 1040 0 [3313]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher180, task 1856 0 [16320]: mask 0xe000000000000000e set
cpu-bind=MASK - crusher078, task 821 5 [41628]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher037, task 341 5 [117518]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher003, task 5 5 [80099]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher148, task 1399 7 [116175]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher060, task 629 5 [49767]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher006, task 52 4 [59849]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher167, task 1685 5 [39860]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher098, task 1011 3 [2544]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher016, task 147 3 [115011]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher175, task 1780 4 [121230]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher188, task 1971 3 [17363]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher178, task 1828 4 [23139]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher170, task 1731 3 [19665]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher185, task 1924 4 [97942]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher012, task 100 4 [46837]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher171, task 1748 4 [65357]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher135, task 1222 6 [122179]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher159, task 1556 4 [103036]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher048, task 454 6 [25824]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher139, task 1268 4 [122231]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher058, task 597 5 [123301]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher082, task 883 3 [1468]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher055, task 548 4 [66361]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher186, task 1939 3 [95437]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher031, task 307 3 [90096]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher168, task 1699 3 [44861]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher176, task 1795 3 [106934]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher017, task 165 5 [90943]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher038, task 357 5 [29313]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher022, task 212 4 [56146]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher069, task 708 4 [47627]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher029, task 276 4 [113349]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher140, task 1285 5 [64598]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher015, task 132 4 [86476]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher053, task 516 4 [79892]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher011, task 86 6 [21427]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher039, task 372 4 [51804]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher169, task 1715 3 [25008]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher166, task 1669 5 [39160]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher190, task 2003 3 [115186]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher177, task 1811 3 [62912]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher163, task 1620 4 [32593]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher042, task 419 3 [7337]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher056, task 563 3 [85676]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher133, task 1188 4 [128921]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher057, task 579 3 [20555]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher030, task 291 3 [125140]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher158, task 1539 3 [102477]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher119, task 1156 4 [47478]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher050, task 483 3 [9359]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher161, task 1589 5 [116434]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher115, task 1108 4 [22719]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher141, task 1299 3 [20578]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher109, task 1059 3 [18987]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher085, task 915 3 [121999]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher063, task 675 3 [100232]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher073, task 773 5 [85331]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher155, task 1491 3 [76714]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher134, task 1203 3 [42515]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher145, task 1348 4 [94365]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher192, task 2035 3 [10549]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher028, task 260 4 [71333]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher179, task 1843 3 [82132]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher061, task 644 4 [116934]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher146, task 1363 3 [70937]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher013, task 115 3 [120458]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher092, task 979 3 [22689]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher121, task 1172 4 [63908]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher074, task 787 3 [26977]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher143, task 1316 4 [6246]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher182, task 1891 3 [76870]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher064, task 691 3 [58824]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher008, task 67 3 [41277]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher156, task 1507 3 [120676]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher117, task 1123 3 [130956]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher054, task 531 3 [123309]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher181, task 1874 2 [96021]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher043, task 434 2 [119875]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher191, task 2018 2 [1015]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher021, task 194 2 [55193]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher070, task 722 2 [59339]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher027, task 243 3 [10435]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher040, task 386 2 [20910]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher151, task 1442 2 [128676]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher081, task 866 2 [30742]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher138, task 1250 2 [10029]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher089, task 962 2 [120646]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher164, task 1634 2 [37665]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher087, task 931 3 [125644]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher079, task 834 2 [29878]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher004, task 18 2 [101632]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher071, task 738 2 [27098]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher041, task 403 3 [126463]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher165, task 1650 2 [43851]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher189, task 1987 3 [88686]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher106, task 1026 2 [68316]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher052, task 498 2 [98016]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher149, task 1410 2 [102463]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher110, task 1074 2 [38138]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher162, task 1602 2 [16840]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher152, task 1460 4 [22027]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher118, task 1138 2 [96308]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher096, task 995 3 [54976]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher113, task 1090 2 [41593]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher062, task 660 4 [49563]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher153, task 1474 2 [54715]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher032, task 323 3 [104083]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher157, task 1522 2 [94053]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher077, task 802 2 [69769]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher088, task 947 3 [111535]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher080, task 850 2 [86961]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher005, task 34 2 [4352]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher187, task 1954 2 [20560]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher160, task 1572 4 [4527]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher025, task 226 2 [108428]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher150, task 1426 2 [128170]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher144, task 1329 1 [40057]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher184, task 1905 1 [26427]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher184, task 1906 2 [26428]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher147, task 1377 1 [61530]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher147, task 1378 2 [61531]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher136, task 1233 1 [47804]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher018, task 177 1 [75376]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher083, task 897 1 [24435]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher049, task 466 2 [40752]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher072, task 753 1 [125554]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher072, task 754 2 [125555]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher059, task 609 1 [112738]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher172, task 1761 1 [85485]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher108, task 1041 1 [3314]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher180, task 1857 1 [16321]: mask 0xe000000000000000e00 set
cpu-bind=MASK - crusher078, task 822 6 [41629]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher037, task 342 6 [117519]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher003, task 6 6 [80100]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher148, task 1400 8 [116176]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher060, task 630 6 [49768]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher006, task 53 5 [59850]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher167, task 1686 6 [39861]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher098, task 1012 4 [2545]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher016, task 148 4 [115012]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher175, task 1781 5 [121231]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher188, task 1972 4 [17364]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher178, task 1829 5 [23140]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher170, task 1732 4 [19666]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher185, task 1925 5 [97943]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher012, task 101 5 [46838]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher171, task 1749 5 [65358]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher135, task 1223 7 [122180]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher159, task 1557 5 [103037]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher048, task 455 7 [25825]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher139, task 1269 5 [122232]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher058, task 598 6 [123302]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher082, task 884 4 [1469]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher055, task 549 5 [66362]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher186, task 1940 4 [95438]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher031, task 308 4 [90097]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher168, task 1700 4 [44862]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher176, task 1796 4 [106935]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher017, task 166 6 [90944]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher038, task 358 6 [29314]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher022, task 213 5 [56147]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher069, task 709 5 [47628]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher029, task 277 5 [113350]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher140, task 1286 6 [64599]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher015, task 133 5 [86477]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher053, task 517 5 [79893]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher011, task 87 7 [21428]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher039, task 373 5 [51805]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher169, task 1716 4 [25009]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher166, task 1670 6 [39161]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher190, task 2004 4 [115187]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher177, task 1812 4 [62913]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher163, task 1621 5 [32594]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher042, task 420 4 [7338]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher056, task 564 4 [85677]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher133, task 1189 5 [128922]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher057, task 580 4 [20556]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher030, task 292 4 [125141]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher158, task 1540 4 [102478]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher119, task 1157 5 [47479]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher050, task 484 4 [9360]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher161, task 1590 6 [116435]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher115, task 1109 5 [22720]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher141, task 1300 4 [20579]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher109, task 1060 4 [18988]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher085, task 916 4 [122000]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher063, task 676 4 [100233]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher073, task 774 6 [85332]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher155, task 1492 4 [76715]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher134, task 1204 4 [42516]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher145, task 1349 5 [94366]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher192, task 2036 4 [10550]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher028, task 261 5 [71334]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher179, task 1844 4 [82133]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher061, task 645 5 [116935]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher146, task 1364 4 [70938]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher013, task 116 4 [120459]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher092, task 980 4 [22690]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher121, task 1173 5 [63909]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher074, task 788 4 [26978]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher143, task 1317 5 [6247]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher182, task 1892 4 [76871]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher064, task 692 4 [58825]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher008, task 68 4 [41278]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher156, task 1508 4 [120677]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher117, task 1124 4 [130957]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher054, task 532 4 [123310]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher181, task 1875 3 [96022]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher043, task 435 3 [119876]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher191, task 2019 3 [1016]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher021, task 195 3 [55194]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher070, task 723 3 [59340]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher027, task 244 4 [10436]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher040, task 387 3 [20911]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher151, task 1443 3 [128677]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher081, task 867 3 [30743]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher138, task 1251 3 [10030]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher089, task 963 3 [120647]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher164, task 1635 3 [37666]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher087, task 932 4 [125645]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher087, task 933 5 [125646]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher079, task 835 3 [29879]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher004, task 19 3 [101633]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher071, task 739 3 [27099]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher041, task 404 4 [126464]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher165, task 1651 3 [43852]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher189, task 1988 4 [88687]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher106, task 1027 3 [68317]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher052, task 499 3 [98017]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher149, task 1411 3 [102464]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher110, task 1075 3 [38139]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher162, task 1603 3 [16841]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher152, task 1461 5 [22028]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher118, task 1139 3 [96309]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher096, task 996 4 [54977]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher113, task 1091 3 [41594]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher062, task 661 5 [49564]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher153, task 1475 3 [54716]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher032, task 324 4 [104084]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher157, task 1523 3 [94054]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher077, task 803 3 [69770]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher088, task 948 4 [111536]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher080, task 851 3 [86962]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher005, task 35 3 [4353]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher187, task 1955 3 [20561]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher160, task 1573 5 [4528]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher025, task 227 3 [108429]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher150, task 1427 3 [128171]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher144, task 1330 2 [40058]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher184, task 1907 3 [26429]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher147, task 1379 3 [61532]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher136, task 1234 2 [47805]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher018, task 178 2 [75377]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher083, task 898 2 [24436]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher049, task 467 3 [40753]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher049, task 468 4 [40754]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher072, task 755 3 [125556]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher059, task 610 2 [112739]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher172, task 1762 2 [85486]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher108, task 1042 2 [3315]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher180, task 1858 2 [16322]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - crusher078, task 823 7 [41630]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher037, task 343 7 [117520]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher003, task 7 7 [80101]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher148, task 1401 9 [116177]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher060, task 631 7 [49769]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher006, task 54 6 [59851]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher167, task 1687 7 [39862]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher098, task 1013 5 [2546]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher016, task 149 5 [115013]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher175, task 1782 6 [121232]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher188, task 1973 5 [17365]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher178, task 1830 6 [23141]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher170, task 1733 5 [19667]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher185, task 1926 6 [97944]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher012, task 102 6 [46839]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher171, task 1750 6 [65359]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher135, task 1224 8 [122181]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher159, task 1558 6 [103038]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher048, task 456 8 [25826]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher139, task 1270 6 [122233]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher058, task 599 7 [123303]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher082, task 885 5 [1470]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher055, task 550 6 [66363]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher186, task 1941 5 [95439]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher031, task 309 5 [90098]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher168, task 1701 5 [44863]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher176, task 1797 5 [106936]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher017, task 167 7 [90945]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher038, task 359 7 [29315]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher022, task 214 6 [56148]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher069, task 710 6 [47629]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher029, task 278 6 [113351]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher140, task 1287 7 [64600]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher015, task 134 6 [86478]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher053, task 518 6 [79894]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher011, task 88 8 [21429]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher039, task 374 6 [51806]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher169, task 1717 5 [25010]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher166, task 1671 7 [39162]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher190, task 2005 5 [115188]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher177, task 1813 5 [62914]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher163, task 1622 6 [32595]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher042, task 421 5 [7339]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher056, task 565 5 [85678]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher133, task 1190 6 [128923]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher057, task 581 5 [20557]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher030, task 293 5 [125142]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher158, task 1541 5 [102479]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher119, task 1158 6 [47480]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher050, task 485 5 [9361]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher161, task 1591 7 [116436]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher115, task 1110 6 [22721]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher141, task 1301 5 [20580]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher109, task 1061 5 [18989]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher085, task 917 5 [122001]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher063, task 677 5 [100234]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher073, task 775 7 [85333]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher155, task 1493 5 [76716]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher134, task 1205 5 [42517]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher145, task 1350 6 [94367]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher192, task 2037 5 [10551]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher028, task 262 6 [71335]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher179, task 1845 5 [82134]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher061, task 646 6 [116936]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher146, task 1365 5 [70939]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher013, task 117 5 [120460]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher092, task 981 5 [22691]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher121, task 1174 6 [63910]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher074, task 789 5 [26979]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher143, task 1318 6 [6248]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher182, task 1893 5 [76872]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher064, task 693 5 [58826]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher008, task 69 5 [41279]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher156, task 1509 5 [120678]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher117, task 1125 5 [130958]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher054, task 533 5 [123311]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher181, task 1876 4 [96023]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher043, task 436 4 [119877]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher191, task 2020 4 [1017]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher021, task 196 4 [55195]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher070, task 724 4 [59341]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher027, task 245 5 [10437]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher040, task 388 4 [20912]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher151, task 1444 4 [128678]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher081, task 868 4 [30744]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher138, task 1252 4 [10031]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher089, task 964 4 [120648]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher164, task 1636 4 [37667]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher087, task 934 6 [125647]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher079, task 836 4 [29880]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher004, task 20 4 [101634]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher071, task 740 4 [27100]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher041, task 405 5 [126465]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher165, task 1652 4 [43853]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher189, task 1989 5 [88688]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher106, task 1028 4 [68318]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher052, task 500 4 [98018]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher149, task 1412 4 [102465]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher110, task 1076 4 [38140]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher162, task 1604 4 [16842]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher152, task 1462 6 [22029]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher118, task 1140 4 [96310]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher096, task 997 5 [54978]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher113, task 1092 4 [41595]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher062, task 662 6 [49565]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher153, task 1476 4 [54717]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher032, task 325 5 [104085]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher157, task 1524 4 [94055]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher077, task 804 4 [69771]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher088, task 949 5 [111537]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher080, task 852 4 [86963]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher005, task 36 4 [4354]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher187, task 1956 4 [20562]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher160, task 1574 6 [4529]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher025, task 228 4 [108430]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher150, task 1428 4 [128172]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher144, task 1331 3 [40059]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher184, task 1908 4 [26430]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher147, task 1380 4 [61533]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher136, task 1235 3 [47806]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher018, task 179 3 [75378]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher083, task 899 3 [24437]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher049, task 469 5 [40755]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher072, task 756 4 [125557]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher059, task 611 3 [112740]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher172, task 1763 3 [85487]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher108, task 1043 3 [3316]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher180, task 1859 3 [16323]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - crusher078, task 824 8 [41631]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher037, task 344 8 [117521]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher003, task 8 8 [80102]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher148, task 1402 10 [116178]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher060, task 632 8 [49770]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher006, task 55 7 [59852]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher167, task 1688 8 [39863]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher098, task 1014 6 [2547]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher016, task 150 6 [115014]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher175, task 1783 7 [121233]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher188, task 1974 6 [17366]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher178, task 1831 7 [23142]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher170, task 1734 6 [19668]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher185, task 1927 7 [97945]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher012, task 103 7 [46840]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher171, task 1751 7 [65360]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher135, task 1225 9 [122182]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher159, task 1559 7 [103039]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher048, task 457 9 [25827]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher139, task 1271 7 [122234]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher058, task 600 8 [123304]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher082, task 886 6 [1471]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher055, task 551 7 [66364]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher186, task 1942 6 [95440]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher031, task 310 6 [90099]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher168, task 1702 6 [44864]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher176, task 1798 6 [106937]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher017, task 168 8 [90946]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher038, task 360 8 [29316]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher022, task 215 7 [56149]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher069, task 711 7 [47630]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher029, task 279 7 [113352]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher140, task 1288 8 [64601]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher015, task 135 7 [86479]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher053, task 519 7 [79895]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher011, task 89 9 [21430]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher039, task 375 7 [51807]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher169, task 1718 6 [25011]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher166, task 1672 8 [39163]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher190, task 2006 6 [115189]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher177, task 1814 6 [62915]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher163, task 1623 7 [32596]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher042, task 422 6 [7340]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher056, task 566 6 [85679]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher133, task 1191 7 [128924]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher057, task 582 6 [20558]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher030, task 294 6 [125143]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher158, task 1542 6 [102480]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher119, task 1159 7 [47481]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher050, task 486 6 [9362]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher161, task 1592 8 [116437]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher115, task 1111 7 [22722]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher141, task 1302 6 [20581]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher109, task 1062 6 [18990]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher085, task 918 6 [122002]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher063, task 678 6 [100235]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher073, task 776 8 [85334]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher155, task 1494 6 [76717]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher134, task 1206 6 [42518]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher145, task 1351 7 [94368]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher192, task 2038 6 [10552]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher028, task 263 7 [71336]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher179, task 1846 6 [82135]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher061, task 647 7 [116937]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher146, task 1366 6 [70940]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher013, task 118 6 [120461]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher092, task 982 6 [22692]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher121, task 1175 7 [63911]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher074, task 790 6 [26980]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher143, task 1319 7 [6249]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher182, task 1894 6 [76873]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher064, task 694 6 [58827]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher008, task 70 6 [41280]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher156, task 1510 6 [120679]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher117, task 1126 6 [130959]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher054, task 534 6 [123312]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher181, task 1877 5 [96024]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher043, task 437 5 [119878]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher191, task 2021 5 [1019]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher021, task 197 5 [55196]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher070, task 725 5 [59342]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher027, task 246 6 [10438]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher040, task 389 5 [20913]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher151, task 1445 5 [128679]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher081, task 869 5 [30745]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher138, task 1253 5 [10032]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher089, task 965 5 [120649]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher164, task 1637 5 [37668]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher087, task 935 7 [125648]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher079, task 837 5 [29881]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher004, task 21 5 [101635]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher071, task 741 5 [27101]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher041, task 406 6 [126466]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher165, task 1653 5 [43854]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher189, task 1990 6 [88689]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher106, task 1029 5 [68319]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher052, task 501 5 [98019]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher149, task 1413 5 [102466]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher110, task 1077 5 [38141]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher162, task 1605 5 [16843]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher152, task 1463 7 [22030]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher118, task 1141 5 [96311]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher096, task 998 6 [54979]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher113, task 1093 5 [41596]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher062, task 663 7 [49566]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher153, task 1477 5 [54718]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher032, task 326 6 [104086]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher157, task 1525 5 [94056]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher077, task 805 5 [69772]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher088, task 950 6 [111538]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher080, task 853 5 [86964]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher005, task 37 5 [4355]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher187, task 1957 5 [20563]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher160, task 1575 7 [4530]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher025, task 229 5 [108431]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher150, task 1429 5 [128173]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher144, task 1332 4 [40060]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher184, task 1909 5 [26431]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher147, task 1381 5 [61534]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher136, task 1236 4 [47807]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher018, task 180 4 [75379]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher083, task 900 4 [24438]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher049, task 470 6 [40756]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher072, task 757 5 [125558]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher059, task 612 4 [112741]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher172, task 1764 4 [85488]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher108, task 1044 4 [3317]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher180, task 1860 4 [16324]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - crusher078, task 825 9 [41632]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher037, task 345 9 [117522]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher003, task 9 9 [80103]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher148, task 1403 11 [116179]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher060, task 633 9 [49771]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher006, task 56 8 [59853]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher167, task 1689 9 [39864]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher098, task 1015 7 [2548]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher016, task 151 7 [115015]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher175, task 1784 8 [121234]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher188, task 1975 7 [17367]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher178, task 1832 8 [23143]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher170, task 1735 7 [19669]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher185, task 1928 8 [97946]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher012, task 104 8 [46841]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher171, task 1752 8 [65361]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher135, task 1226 10 [122183]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher159, task 1560 8 [103040]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher048, task 458 10 [25828]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher139, task 1272 8 [122235]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher058, task 601 9 [123305]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher082, task 887 7 [1472]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher055, task 552 8 [66365]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher186, task 1943 7 [95441]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher031, task 311 7 [90100]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher168, task 1703 7 [44865]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher176, task 1799 7 [106938]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher017, task 169 9 [90947]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher038, task 361 9 [29317]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher022, task 216 8 [56150]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher069, task 712 8 [47631]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher029, task 280 8 [113353]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher140, task 1289 9 [64602]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher015, task 136 8 [86480]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher053, task 520 8 [79896]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher011, task 90 10 [21431]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher039, task 376 8 [51808]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher169, task 1719 7 [25012]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher166, task 1673 9 [39164]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher190, task 2007 7 [115190]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher177, task 1815 7 [62916]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher163, task 1624 8 [32597]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher042, task 423 7 [7341]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher056, task 567 7 [85680]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher133, task 1192 8 [128925]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher057, task 583 7 [20559]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher030, task 295 7 [125144]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher158, task 1543 7 [102481]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher119, task 1160 8 [47482]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher050, task 487 7 [9363]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher161, task 1593 9 [116438]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher115, task 1112 8 [22723]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher141, task 1303 7 [20582]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher109, task 1063 7 [18991]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher085, task 919 7 [122003]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher063, task 679 7 [100236]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher073, task 777 9 [85335]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher155, task 1495 7 [76718]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher134, task 1207 7 [42519]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher145, task 1352 8 [94369]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher192, task 2039 7 [10553]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher028, task 264 8 [71337]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher179, task 1847 7 [82136]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher061, task 648 8 [116938]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher146, task 1367 7 [70941]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher013, task 119 7 [120462]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher092, task 983 7 [22693]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher121, task 1176 8 [63912]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher074, task 791 7 [26981]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher143, task 1320 8 [6250]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher182, task 1895 7 [76874]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher064, task 695 7 [58828]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher008, task 71 7 [41281]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher156, task 1511 7 [120680]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher117, task 1127 7 [130960]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher054, task 535 7 [123313]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher181, task 1878 6 [96025]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher043, task 438 6 [119879]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher191, task 2022 6 [1023]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher021, task 198 6 [55197]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher070, task 726 6 [59343]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher027, task 247 7 [10439]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher040, task 390 6 [20914]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher151, task 1446 6 [128680]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher081, task 870 6 [30746]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher138, task 1254 6 [10033]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher089, task 966 6 [120650]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher164, task 1638 6 [37669]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher087, task 936 8 [125649]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher079, task 838 6 [29882]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher004, task 22 6 [101636]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher071, task 742 6 [27102]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher041, task 407 7 [126467]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher165, task 1654 6 [43855]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher189, task 1991 7 [88690]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher106, task 1030 6 [68320]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher052, task 502 6 [98020]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher149, task 1414 6 [102467]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher110, task 1078 6 [38142]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher162, task 1606 6 [16844]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher152, task 1464 8 [22031]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher118, task 1142 6 [96312]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher096, task 999 7 [54980]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher113, task 1094 6 [41597]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher062, task 664 8 [49567]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher153, task 1478 6 [54719]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher032, task 327 7 [104087]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher157, task 1526 6 [94057]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher077, task 806 6 [69773]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher088, task 951 7 [111539]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher080, task 854 6 [86965]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher005, task 38 6 [4356]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher187, task 1958 6 [20564]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher160, task 1576 8 [4531]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher025, task 230 6 [108432]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher150, task 1430 6 [128174]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher144, task 1333 5 [40061]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher184, task 1910 6 [26432]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher147, task 1382 6 [61535]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher136, task 1237 5 [47808]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher018, task 181 5 [75380]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher083, task 901 5 [24439]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher049, task 471 7 [40757]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher072, task 758 6 [125559]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher059, task 613 5 [112742]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher172, task 1765 5 [85489]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher108, task 1045 5 [3318]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher180, task 1861 5 [16325]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - crusher078, task 826 10 [41633]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher037, task 346 10 [117523]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher003, task 10 10 [80104]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher148, task 1404 12 [116180]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher060, task 634 10 [49772]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher006, task 57 9 [59854]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher167, task 1690 10 [39865]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher098, task 1016 8 [2549]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher016, task 152 8 [115016]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher175, task 1785 9 [121235]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher188, task 1976 8 [17368]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher178, task 1833 9 [23144]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher170, task 1736 8 [19670]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher185, task 1929 9 [97947]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher012, task 105 9 [46842]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher171, task 1753 9 [65362]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher135, task 1227 11 [122184]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher159, task 1561 9 [103041]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher048, task 459 11 [25829]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher139, task 1273 9 [122236]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher058, task 602 10 [123306]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher082, task 888 8 [1473]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher055, task 553 9 [66366]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher186, task 1944 8 [95442]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher031, task 312 8 [90101]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher168, task 1704 8 [44866]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher176, task 1800 8 [106939]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher017, task 170 10 [90948]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher038, task 362 10 [29318]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher022, task 217 9 [56151]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher069, task 713 9 [47632]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher029, task 281 9 [113354]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher140, task 1290 10 [64603]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher015, task 137 9 [86481]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher053, task 521 9 [79897]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher011, task 91 11 [21432]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher039, task 377 9 [51809]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher169, task 1720 8 [25013]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher166, task 1674 10 [39165]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher190, task 2008 8 [115191]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher177, task 1816 8 [62917]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher163, task 1625 9 [32598]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher042, task 424 8 [7342]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher056, task 568 8 [85681]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher133, task 1193 9 [128926]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher057, task 584 8 [20560]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher030, task 296 8 [125145]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher158, task 1544 8 [102482]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher119, task 1161 9 [47483]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher050, task 488 8 [9364]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher161, task 1594 10 [116439]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher115, task 1113 9 [22724]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher141, task 1304 8 [20583]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher109, task 1064 8 [18992]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher085, task 920 8 [122004]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher063, task 680 8 [100237]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher073, task 778 10 [85336]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher155, task 1496 8 [76719]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher134, task 1208 8 [42520]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher145, task 1353 9 [94370]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher192, task 2040 8 [10554]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher028, task 265 9 [71338]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher179, task 1848 8 [82137]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher061, task 649 9 [116939]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher146, task 1368 8 [70942]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher013, task 120 8 [120463]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher092, task 984 8 [22694]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher121, task 1177 9 [63913]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher074, task 792 8 [26982]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher143, task 1321 9 [6251]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher182, task 1896 8 [76875]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher064, task 696 8 [58829]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher008, task 72 8 [41282]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher156, task 1512 8 [120681]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher117, task 1128 8 [130961]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher054, task 536 8 [123314]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher181, task 1879 7 [96026]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher043, task 439 7 [119880]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher191, task 2023 7 [1024]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher021, task 199 7 [55198]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher070, task 727 7 [59344]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher027, task 248 8 [10440]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher040, task 391 7 [20915]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher151, task 1447 7 [128681]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher081, task 871 7 [30747]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher138, task 1255 7 [10034]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher089, task 967 7 [120651]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher164, task 1639 7 [37670]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher087, task 937 9 [125650]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher079, task 839 7 [29883]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher004, task 23 7 [101637]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher071, task 743 7 [27103]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher041, task 408 8 [126468]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher165, task 1655 7 [43856]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher189, task 1992 8 [88691]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher106, task 1031 7 [68321]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher052, task 503 7 [98021]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher149, task 1415 7 [102468]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher110, task 1079 7 [38143]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher162, task 1607 7 [16845]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher152, task 1465 9 [22032]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher118, task 1143 7 [96313]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher096, task 1000 8 [54981]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher113, task 1095 7 [41598]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher062, task 665 9 [49568]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher153, task 1479 7 [54720]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher032, task 328 8 [104088]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher157, task 1527 7 [94058]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher077, task 807 7 [69774]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher088, task 952 8 [111540]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher080, task 855 7 [86966]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher005, task 39 7 [4357]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher187, task 1959 7 [20565]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher160, task 1577 9 [4532]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher025, task 231 7 [108433]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher150, task 1431 7 [128175]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher144, task 1334 6 [40062]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher184, task 1911 7 [26433]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher147, task 1383 7 [61536]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher136, task 1238 6 [47809]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher018, task 182 6 [75381]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher083, task 902 6 [24440]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher049, task 472 8 [40758]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher072, task 759 7 [125560]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher059, task 614 6 [112743]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher172, task 1766 6 [85490]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher108, task 1046 6 [3319]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher180, task 1862 6 [16326]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - crusher078, task 827 11 [41634]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher037, task 347 11 [117524]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher003, task 11 11 [80105]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher148, task 1405 13 [116181]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher060, task 635 11 [49773]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher006, task 58 10 [59855]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher167, task 1691 11 [39866]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher098, task 1017 9 [2550]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher016, task 153 9 [115017]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher175, task 1786 10 [121236]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher188, task 1977 9 [17369]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher178, task 1834 10 [23145]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher170, task 1737 9 [19671]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher185, task 1930 10 [97948]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher012, task 106 10 [46843]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher171, task 1754 10 [65363]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher135, task 1228 12 [122185]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher159, task 1562 10 [103042]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher048, task 460 12 [25830]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher139, task 1274 10 [122237]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher058, task 603 11 [123307]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher082, task 889 9 [1474]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher055, task 554 10 [66367]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher186, task 1945 9 [95443]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher031, task 313 9 [90102]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher168, task 1705 9 [44867]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher176, task 1801 9 [106940]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher017, task 171 11 [90949]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher038, task 363 11 [29319]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher022, task 218 10 [56152]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher069, task 714 10 [47633]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher029, task 282 10 [113355]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher140, task 1291 11 [64604]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher015, task 138 10 [86482]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher053, task 522 10 [79898]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher011, task 92 12 [21433]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher039, task 378 10 [51810]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher169, task 1721 9 [25014]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher166, task 1675 11 [39166]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher190, task 2009 9 [115192]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher177, task 1817 9 [62918]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher163, task 1626 10 [32599]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher042, task 425 9 [7343]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher056, task 569 9 [85682]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher133, task 1194 10 [128927]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher057, task 585 9 [20561]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher030, task 297 9 [125146]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher158, task 1545 9 [102483]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher119, task 1162 10 [47484]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher050, task 489 9 [9365]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher161, task 1595 11 [116440]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher115, task 1114 10 [22725]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher141, task 1305 9 [20584]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher109, task 1065 9 [18993]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher085, task 921 9 [122005]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher063, task 681 9 [100238]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher073, task 779 11 [85337]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher155, task 1497 9 [76720]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher134, task 1209 9 [42521]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher145, task 1354 10 [94371]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher192, task 2041 9 [10555]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher028, task 266 10 [71339]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher179, task 1849 9 [82138]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher061, task 650 10 [116940]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher146, task 1369 9 [70943]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher013, task 121 9 [120464]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher092, task 985 9 [22695]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher121, task 1178 10 [63914]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher074, task 793 9 [26983]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher143, task 1322 10 [6252]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher182, task 1897 9 [76876]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher064, task 697 9 [58830]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher008, task 73 9 [41283]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher156, task 1513 9 [120682]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher117, task 1129 9 [130962]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher054, task 537 9 [123315]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher181, task 1880 8 [96027]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher043, task 440 8 [119881]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher191, task 2024 8 [1025]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher021, task 200 8 [55199]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher070, task 728 8 [59345]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher027, task 249 9 [10441]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher040, task 392 8 [20916]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher151, task 1448 8 [128682]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher081, task 872 8 [30748]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher138, task 1256 8 [10035]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher089, task 968 8 [120652]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher164, task 1640 8 [37671]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher087, task 938 10 [125651]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher079, task 840 8 [29884]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher004, task 24 8 [101638]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher071, task 744 8 [27104]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher041, task 409 9 [126469]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher165, task 1656 8 [43857]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher189, task 1993 9 [88692]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher106, task 1032 8 [68322]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher052, task 504 8 [98022]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher149, task 1416 8 [102469]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher110, task 1080 8 [38144]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher162, task 1608 8 [16846]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher152, task 1466 10 [22033]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher118, task 1144 8 [96314]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher096, task 1001 9 [54982]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher113, task 1096 8 [41599]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher062, task 666 10 [49569]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher153, task 1480 8 [54721]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher032, task 329 9 [104089]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher157, task 1528 8 [94059]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher077, task 808 8 [69775]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher088, task 953 9 [111541]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher080, task 856 8 [86967]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher005, task 40 8 [4358]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher187, task 1960 8 [20566]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher160, task 1578 10 [4533]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher025, task 232 8 [108434]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher150, task 1432 8 [128176]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher144, task 1335 7 [40063]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher184, task 1912 8 [26434]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher147, task 1384 8 [61537]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher136, task 1239 7 [47810]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher018, task 183 7 [75382]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher083, task 903 7 [24441]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher049, task 473 9 [40759]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher072, task 760 8 [125561]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher059, task 615 7 [112744]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher172, task 1767 7 [85491]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher108, task 1047 7 [3320]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher180, task 1863 7 [16327]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - crusher078, task 828 12 [41635]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher037, task 348 12 [117525]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher003, task 12 12 [80106]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher148, task 1406 14 [116182]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher060, task 636 12 [49774]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher006, task 59 11 [59856]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher167, task 1692 12 [39867]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher098, task 1018 10 [2551]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher016, task 154 10 [115018]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher175, task 1787 11 [121237]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher188, task 1978 10 [17370]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher178, task 1835 11 [23146]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher170, task 1738 10 [19672]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher185, task 1931 11 [97949]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher012, task 107 11 [46844]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher171, task 1755 11 [65364]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher135, task 1229 13 [122186]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher159, task 1563 11 [103043]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher048, task 461 13 [25831]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher139, task 1275 11 [122238]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher058, task 604 12 [123308]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher082, task 890 10 [1475]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher055, task 555 11 [66368]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher186, task 1946 10 [95444]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher031, task 314 10 [90103]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher168, task 1706 10 [44868]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher176, task 1802 10 [106941]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher017, task 172 12 [90950]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher038, task 364 12 [29320]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher022, task 219 11 [56153]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher069, task 715 11 [47634]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher029, task 283 11 [113356]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher140, task 1292 12 [64605]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher015, task 139 11 [86483]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher053, task 523 11 [79899]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher011, task 93 13 [21434]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher039, task 379 11 [51811]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher169, task 1722 10 [25015]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher166, task 1676 12 [39167]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher190, task 2010 10 [115193]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher177, task 1818 10 [62919]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher163, task 1627 11 [32600]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher042, task 426 10 [7344]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher056, task 570 10 [85683]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher133, task 1195 11 [128928]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher057, task 586 10 [20562]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher030, task 298 10 [125147]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher158, task 1546 10 [102484]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher119, task 1163 11 [47485]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher050, task 490 10 [9366]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher161, task 1596 12 [116441]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher115, task 1115 11 [22726]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher141, task 1306 10 [20585]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher109, task 1066 10 [18994]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher085, task 922 10 [122006]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher063, task 682 10 [100239]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher073, task 780 12 [85338]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher155, task 1498 10 [76721]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher134, task 1210 10 [42522]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher145, task 1355 11 [94372]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher192, task 2042 10 [10556]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher028, task 267 11 [71340]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher179, task 1850 10 [82139]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher061, task 651 11 [116941]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher146, task 1370 10 [70944]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher013, task 122 10 [120465]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher092, task 986 10 [22696]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher121, task 1179 11 [63915]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher074, task 794 10 [26984]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher143, task 1323 11 [6253]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher182, task 1898 10 [76877]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher064, task 698 10 [58831]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher008, task 74 10 [41284]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher156, task 1514 10 [120683]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher117, task 1130 10 [130963]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher054, task 538 10 [123316]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher181, task 1881 9 [96028]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher043, task 441 9 [119882]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher191, task 2025 9 [1026]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher021, task 201 9 [55200]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher070, task 729 9 [59346]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher027, task 250 10 [10442]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher040, task 393 9 [20917]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher151, task 1449 9 [128683]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher081, task 873 9 [30749]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher138, task 1257 9 [10036]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher089, task 969 9 [120653]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher164, task 1641 9 [37672]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher087, task 939 11 [125652]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher079, task 841 9 [29885]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher004, task 25 9 [101639]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher071, task 745 9 [27105]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher041, task 410 10 [126470]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher165, task 1657 9 [43858]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher189, task 1994 10 [88693]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher106, task 1033 9 [68323]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher052, task 505 9 [98023]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher149, task 1417 9 [102470]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher110, task 1081 9 [38145]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher162, task 1609 9 [16847]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher152, task 1467 11 [22034]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher118, task 1145 9 [96315]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher096, task 1002 10 [54983]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher113, task 1097 9 [41600]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher062, task 667 11 [49570]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher153, task 1481 9 [54722]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher032, task 330 10 [104090]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher157, task 1529 9 [94060]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher077, task 809 9 [69776]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher088, task 954 10 [111542]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher080, task 857 9 [86968]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher005, task 41 9 [4359]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher187, task 1961 9 [20567]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher160, task 1579 11 [4534]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher025, task 233 9 [108435]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher150, task 1433 9 [128177]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher144, task 1336 8 [40064]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher184, task 1913 9 [26435]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher147, task 1385 9 [61538]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher136, task 1240 8 [47811]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher018, task 184 8 [75383]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher083, task 904 8 [24442]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher049, task 474 10 [40760]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher072, task 761 9 [125562]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher059, task 616 8 [112745]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher172, task 1768 8 [85492]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher108, task 1048 8 [3321]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher180, task 1864 8 [16328]: mask 0x700000000000000070 set
cpu-bind=MASK - crusher078, task 829 13 [41636]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher037, task 349 13 [117526]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher003, task 13 13 [80107]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher148, task 1407 15 [116183]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher060, task 637 13 [49775]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher006, task 60 12 [59857]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher167, task 1693 13 [39868]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher098, task 1019 11 [2552]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher016, task 155 11 [115019]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher175, task 1788 12 [121238]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher188, task 1979 11 [17371]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher178, task 1836 12 [23147]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher170, task 1739 11 [19673]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher185, task 1932 12 [97950]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher012, task 108 12 [46845]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher171, task 1756 12 [65365]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher135, task 1230 14 [122187]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher159, task 1564 12 [103044]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher048, task 462 14 [25832]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher139, task 1276 12 [122239]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher058, task 605 13 [123309]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher082, task 891 11 [1476]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher055, task 556 12 [66369]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher186, task 1947 11 [95445]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher031, task 315 11 [90104]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher168, task 1707 11 [44869]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher176, task 1803 11 [106942]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher017, task 173 13 [90951]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher038, task 365 13 [29321]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher022, task 220 12 [56154]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher069, task 716 12 [47635]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher029, task 284 12 [113357]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher140, task 1293 13 [64606]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher015, task 140 12 [86484]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher053, task 524 12 [79900]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher011, task 94 14 [21435]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher039, task 380 12 [51812]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher169, task 1723 11 [25016]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher166, task 1677 13 [39168]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher190, task 2011 11 [115194]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher177, task 1819 11 [62920]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher163, task 1628 12 [32601]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher042, task 427 11 [7345]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher056, task 571 11 [85684]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher133, task 1196 12 [128929]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher057, task 587 11 [20563]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher030, task 299 11 [125148]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher158, task 1547 11 [102485]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher119, task 1164 12 [47486]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher050, task 491 11 [9367]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher161, task 1597 13 [116442]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher115, task 1116 12 [22727]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher141, task 1307 11 [20586]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher109, task 1067 11 [18995]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher085, task 923 11 [122007]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher063, task 683 11 [100240]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher073, task 781 13 [85339]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher155, task 1499 11 [76722]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher134, task 1211 11 [42523]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher145, task 1356 12 [94373]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher192, task 2043 11 [10557]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher028, task 268 12 [71341]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher179, task 1851 11 [82140]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher061, task 652 12 [116942]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher146, task 1371 11 [70945]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher013, task 123 11 [120466]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher092, task 987 11 [22697]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher121, task 1180 12 [63916]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher074, task 795 11 [26985]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher143, task 1324 12 [6254]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher182, task 1899 11 [76878]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher064, task 699 11 [58832]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher008, task 75 11 [41285]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher156, task 1515 11 [120684]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher117, task 1131 11 [130964]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher054, task 539 11 [123317]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher181, task 1882 10 [96029]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher043, task 442 10 [119883]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher191, task 2026 10 [1027]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher021, task 202 10 [55201]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher070, task 730 10 [59347]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher027, task 251 11 [10443]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher040, task 394 10 [20918]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher151, task 1450 10 [128684]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher081, task 874 10 [30750]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher138, task 1258 10 [10037]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher089, task 970 10 [120654]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher164, task 1642 10 [37673]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher087, task 940 12 [125653]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher079, task 842 10 [29886]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher004, task 26 10 [101640]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher071, task 746 10 [27106]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher041, task 411 11 [126471]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher165, task 1658 10 [43859]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher189, task 1995 11 [88694]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher106, task 1034 10 [68324]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher052, task 506 10 [98024]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher149, task 1418 10 [102471]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher110, task 1082 10 [38146]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher162, task 1610 10 [16848]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher152, task 1468 12 [22035]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher118, task 1146 10 [96316]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher096, task 1003 11 [54984]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher113, task 1098 10 [41601]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher062, task 668 12 [49571]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher153, task 1482 10 [54723]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher032, task 331 11 [104091]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher157, task 1530 10 [94061]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher077, task 810 10 [69777]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher088, task 955 11 [111543]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher080, task 858 10 [86969]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher005, task 42 10 [4360]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher187, task 1962 10 [20568]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher160, task 1580 12 [4535]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher025, task 234 10 [108436]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher150, task 1434 10 [128178]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher144, task 1337 9 [40065]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher184, task 1914 10 [26436]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher147, task 1386 10 [61539]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher136, task 1241 9 [47812]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher018, task 185 9 [75384]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher083, task 905 9 [24443]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher049, task 475 11 [40761]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher072, task 762 10 [125563]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher059, task 617 9 [112746]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher172, task 1769 9 [85493]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher108, task 1049 9 [3322]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher180, task 1865 9 [16329]: mask 0x70000000000000007000 set
cpu-bind=MASK - crusher078, task 830 14 [41637]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher037, task 350 14 [117527]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher003, task 14 14 [80108]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher060, task 638 14 [49776]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher006, task 61 13 [59858]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher167, task 1694 14 [39869]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher098, task 1020 12 [2553]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher016, task 156 12 [115020]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher175, task 1789 13 [121239]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher188, task 1980 12 [17372]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher178, task 1837 13 [23148]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher170, task 1740 12 [19674]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher185, task 1933 13 [97951]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher012, task 109 13 [46846]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher171, task 1757 13 [65366]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher135, task 1231 15 [122188]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher159, task 1565 13 [103045]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher048, task 463 15 [25833]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher139, task 1277 13 [122240]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher058, task 606 14 [123310]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher082, task 892 12 [1477]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher055, task 557 13 [66370]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher186, task 1948 12 [95446]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher031, task 316 12 [90105]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher168, task 1708 12 [44870]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher176, task 1804 12 [106943]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher017, task 174 14 [90952]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher038, task 366 14 [29322]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher022, task 221 13 [56155]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher069, task 717 13 [47636]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher029, task 285 13 [113358]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher140, task 1294 14 [64607]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher015, task 141 13 [86485]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher053, task 525 13 [79901]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher011, task 95 15 [21436]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher039, task 381 13 [51813]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher169, task 1724 12 [25017]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher166, task 1678 14 [39169]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher190, task 2012 12 [115195]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher177, task 1820 12 [62921]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher163, task 1629 13 [32602]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher042, task 428 12 [7346]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher056, task 572 12 [85685]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher133, task 1197 13 [128930]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher057, task 588 12 [20564]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher030, task 300 12 [125149]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher158, task 1548 12 [102486]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher119, task 1165 13 [47487]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher050, task 492 12 [9368]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher161, task 1598 14 [116443]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher115, task 1117 13 [22728]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher141, task 1308 12 [20587]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher109, task 1068 12 [18996]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher085, task 924 12 [122008]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher063, task 684 12 [100241]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher073, task 782 14 [85340]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher155, task 1500 12 [76723]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher134, task 1212 12 [42524]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher145, task 1357 13 [94374]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher192, task 2044 12 [10558]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher028, task 269 13 [71342]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher179, task 1852 12 [82141]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher061, task 653 13 [116943]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher146, task 1372 12 [70946]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher013, task 124 12 [120467]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher092, task 988 12 [22698]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher121, task 1181 13 [63917]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher074, task 796 12 [26986]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher143, task 1325 13 [6255]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher182, task 1900 12 [76879]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher064, task 700 12 [58833]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher008, task 76 12 [41286]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher156, task 1516 12 [120685]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher117, task 1132 12 [130965]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher054, task 540 12 [123318]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher181, task 1883 11 [96030]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher043, task 443 11 [119884]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher191, task 2027 11 [1028]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher021, task 203 11 [55202]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher070, task 731 11 [59348]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher027, task 252 12 [10444]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher040, task 395 11 [20919]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher151, task 1451 11 [128685]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher081, task 875 11 [30751]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher138, task 1259 11 [10038]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher089, task 971 11 [120655]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher164, task 1643 11 [37674]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher087, task 941 13 [125654]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher079, task 843 11 [29887]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher004, task 27 11 [101641]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher071, task 747 11 [27107]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher041, task 412 12 [126472]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher165, task 1659 11 [43860]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher189, task 1996 12 [88695]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher106, task 1035 11 [68325]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher052, task 507 11 [98025]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher149, task 1419 11 [102472]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher110, task 1083 11 [38147]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher162, task 1611 11 [16849]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher152, task 1469 13 [22036]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher118, task 1147 11 [96317]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher096, task 1004 12 [54985]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher113, task 1099 11 [41602]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher062, task 669 13 [49572]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher153, task 1483 11 [54724]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher032, task 332 12 [104092]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher157, task 1531 11 [94062]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher077, task 811 11 [69778]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher088, task 956 12 [111544]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher080, task 859 11 [86970]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher005, task 43 11 [4361]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher187, task 1963 11 [20569]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher160, task 1581 13 [4536]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher025, task 235 11 [108437]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher150, task 1435 11 [128179]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher144, task 1338 10 [40066]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher184, task 1915 11 [26437]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher147, task 1387 11 [61540]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher136, task 1242 10 [47813]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher018, task 186 10 [75385]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher083, task 906 10 [24444]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher049, task 476 12 [40762]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher072, task 763 11 [125564]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher059, task 618 10 [112747]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher172, task 1770 10 [85494]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher108, task 1050 10 [3323]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher180, task 1866 10 [16330]: mask 0x7000000000000000700000 set
cpu-bind=MASK - crusher078, task 831 15 [41638]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher037, task 351 15 [117528]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher003, task 15 15 [80109]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher060, task 639 15 [49777]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher006, task 62 14 [59859]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher167, task 1695 15 [39870]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher098, task 1021 13 [2554]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher016, task 157 13 [115021]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher175, task 1790 14 [121240]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher188, task 1981 13 [17373]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher178, task 1838 14 [23149]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher170, task 1741 13 [19675]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher185, task 1934 14 [97952]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher012, task 110 14 [46847]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher171, task 1758 14 [65367]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher159, task 1566 14 [103046]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher139, task 1278 14 [122241]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher058, task 607 15 [123311]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher082, task 893 13 [1478]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher055, task 558 14 [66371]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher186, task 1949 13 [95447]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher031, task 317 13 [90106]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher168, task 1709 13 [44871]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher176, task 1805 13 [106944]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher017, task 175 15 [90953]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher038, task 367 15 [29323]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher022, task 222 14 [56156]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher069, task 718 14 [47637]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher029, task 286 14 [113359]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher140, task 1295 15 [64608]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher015, task 142 14 [86486]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher053, task 526 14 [79902]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher039, task 382 14 [51814]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher169, task 1725 13 [25018]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher166, task 1679 15 [39170]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher190, task 2013 13 [115196]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher177, task 1821 13 [62922]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher163, task 1630 14 [32603]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher042, task 429 13 [7347]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher056, task 573 13 [85686]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher133, task 1198 14 [128931]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher057, task 589 13 [20565]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher030, task 301 13 [125150]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher158, task 1549 13 [102487]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher119, task 1166 14 [47488]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher050, task 493 13 [9369]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher161, task 1599 15 [116444]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher115, task 1118 14 [22729]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher141, task 1309 13 [20588]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher109, task 1069 13 [18997]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher085, task 925 13 [122009]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher063, task 685 13 [100242]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher073, task 783 15 [85341]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher155, task 1501 13 [76724]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher134, task 1213 13 [42525]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher145, task 1358 14 [94375]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher192, task 2045 13 [10559]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher028, task 270 14 [71343]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher179, task 1853 13 [82142]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher061, task 654 14 [116944]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher146, task 1373 13 [70947]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher013, task 125 13 [120468]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher092, task 989 13 [22699]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher121, task 1182 14 [63918]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher074, task 797 13 [26987]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher143, task 1326 14 [6256]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher182, task 1901 13 [76880]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher064, task 701 13 [58834]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher008, task 77 13 [41287]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher156, task 1517 13 [120686]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher117, task 1133 13 [130966]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher054, task 541 13 [123319]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher181, task 1884 12 [96031]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher043, task 444 12 [119885]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher191, task 2028 12 [1029]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher021, task 204 12 [55203]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher070, task 732 12 [59349]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher027, task 253 13 [10445]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher040, task 396 12 [20920]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher151, task 1452 12 [128686]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher081, task 876 12 [30752]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher138, task 1260 12 [10039]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher089, task 972 12 [120656]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher164, task 1644 12 [37675]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher087, task 942 14 [125655]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher079, task 844 12 [29888]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher004, task 28 12 [101642]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher071, task 748 12 [27108]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher041, task 413 13 [126473]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher165, task 1660 12 [43861]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher189, task 1997 13 [88696]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher106, task 1036 12 [68326]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher052, task 508 12 [98026]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher149, task 1420 12 [102473]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher110, task 1084 12 [38148]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher162, task 1612 12 [16850]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher152, task 1470 14 [22037]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher118, task 1148 12 [96318]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher096, task 1005 13 [54986]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher113, task 1100 12 [41603]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher062, task 670 14 [49573]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher153, task 1484 12 [54725]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher032, task 333 13 [104093]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher157, task 1532 12 [94063]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher077, task 812 12 [69779]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher088, task 957 13 [111545]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher080, task 860 12 [86971]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher005, task 44 12 [4362]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher187, task 1964 12 [20570]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher160, task 1582 14 [4537]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher025, task 236 12 [108438]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher150, task 1436 12 [128180]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher144, task 1339 11 [40067]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher184, task 1916 12 [26438]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher147, task 1388 12 [61541]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher136, task 1243 11 [47814]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher018, task 187 11 [75386]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher083, task 907 11 [24445]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher049, task 477 13 [40763]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher072, task 764 12 [125565]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher059, task 619 11 [112748]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher172, task 1771 11 [85495]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher108, task 1051 11 [3324]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher180, task 1867 11 [16331]: mask 0x700000000000000070000000 set
cpu-bind=MASK - crusher006, task 63 15 [59860]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher098, task 1022 14 [2555]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher016, task 158 14 [115022]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher175, task 1791 15 [121241]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher188, task 1982 14 [17374]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher178, task 1839 15 [23150]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher170, task 1742 14 [19676]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher185, task 1935 15 [97953]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher012, task 111 15 [46848]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher171, task 1759 15 [65368]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher159, task 1567 15 [103047]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher139, task 1279 15 [122242]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher082, task 894 14 [1479]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher055, task 559 15 [66372]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher186, task 1950 14 [95448]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher031, task 318 14 [90107]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher168, task 1710 14 [44872]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher176, task 1806 14 [106945]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher022, task 223 15 [56157]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher069, task 719 15 [47638]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher029, task 287 15 [113360]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher015, task 143 15 [86487]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher053, task 527 15 [79903]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher039, task 383 15 [51815]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher169, task 1726 14 [25019]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher190, task 2014 14 [115197]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher177, task 1822 14 [62923]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher163, task 1631 15 [32604]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher042, task 430 14 [7348]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher056, task 574 14 [85687]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher133, task 1199 15 [128932]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher057, task 590 14 [20566]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher030, task 302 14 [125151]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher158, task 1550 14 [102488]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher119, task 1167 15 [47489]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher050, task 494 14 [9370]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher115, task 1119 15 [22730]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher141, task 1310 14 [20589]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher109, task 1070 14 [18998]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher085, task 926 14 [122010]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher063, task 686 14 [100243]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher155, task 1502 14 [76725]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher134, task 1214 14 [42526]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher145, task 1359 15 [94376]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher192, task 2046 14 [10560]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher028, task 271 15 [71344]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher179, task 1854 14 [82143]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher061, task 655 15 [116945]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher146, task 1374 14 [70948]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher013, task 126 14 [120469]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher092, task 990 14 [22700]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher121, task 1183 15 [63919]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher074, task 798 14 [26988]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher143, task 1327 15 [6257]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher182, task 1902 14 [76881]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher064, task 702 14 [58835]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher008, task 78 14 [41288]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher156, task 1518 14 [120687]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher117, task 1134 14 [130967]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher054, task 542 14 [123320]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher181, task 1885 13 [96032]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher043, task 445 13 [119886]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher191, task 2029 13 [1030]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher021, task 205 13 [55204]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher070, task 733 13 [59350]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher027, task 254 14 [10446]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher040, task 397 13 [20921]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher151, task 1453 13 [128687]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher081, task 877 13 [30753]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher138, task 1261 13 [10040]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher089, task 973 13 [120657]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher164, task 1645 13 [37676]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher087, task 943 15 [125656]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher079, task 845 13 [29889]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher004, task 29 13 [101643]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher071, task 749 13 [27109]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher041, task 414 14 [126474]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher165, task 1661 13 [43862]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher189, task 1998 14 [88697]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher106, task 1037 13 [68327]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher052, task 509 13 [98027]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher149, task 1421 13 [102474]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher110, task 1085 13 [38149]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher162, task 1613 13 [16851]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher152, task 1471 15 [22038]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher118, task 1149 13 [96319]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher096, task 1006 14 [54987]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher113, task 1101 13 [41604]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher062, task 671 15 [49574]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher153, task 1485 13 [54726]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher032, task 334 14 [104094]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher157, task 1533 13 [94064]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher077, task 813 13 [69780]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher088, task 958 14 [111546]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher080, task 861 13 [86972]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher005, task 45 13 [4363]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher187, task 1965 13 [20571]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher160, task 1583 15 [4538]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher025, task 237 13 [108439]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher150, task 1437 13 [128181]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher144, task 1340 12 [40068]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher184, task 1917 13 [26439]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher147, task 1389 13 [61542]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher136, task 1244 12 [47815]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher018, task 188 12 [75387]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher083, task 908 12 [24446]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher049, task 478 14 [40764]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher072, task 765 13 [125566]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher059, task 620 12 [112749]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher172, task 1772 12 [85496]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher108, task 1052 12 [3325]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher180, task 1868 12 [16332]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - crusher098, task 1023 15 [2556]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher016, task 159 15 [115023]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher188, task 1983 15 [17375]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher170, task 1743 15 [19677]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher082, task 895 15 [1480]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher186, task 1951 15 [95449]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher031, task 319 15 [90108]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher168, task 1711 15 [44873]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher176, task 1807 15 [106946]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher169, task 1727 15 [25020]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher190, task 2015 15 [115198]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher177, task 1823 15 [62924]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher042, task 431 15 [7349]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher056, task 575 15 [85688]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher057, task 591 15 [20567]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher030, task 303 15 [125152]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher158, task 1551 15 [102489]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher050, task 495 15 [9371]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher141, task 1311 15 [20590]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher109, task 1071 15 [18999]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher085, task 927 15 [122011]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher063, task 687 15 [100244]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher155, task 1503 15 [76726]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher134, task 1215 15 [42527]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher192, task 2047 15 [10561]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher179, task 1855 15 [82144]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher146, task 1375 15 [70949]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher013, task 127 15 [120470]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher092, task 991 15 [22701]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher074, task 799 15 [26989]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher182, task 1903 15 [76882]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher064, task 703 15 [58836]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher008, task 79 15 [41289]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher156, task 1519 15 [120688]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher117, task 1135 15 [130968]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher054, task 543 15 [123321]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher181, task 1886 14 [96033]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher043, task 446 14 [119887]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher191, task 2030 14 [1031]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher021, task 206 14 [55205]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher070, task 734 14 [59351]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher027, task 255 15 [10447]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher040, task 398 14 [20922]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher151, task 1454 14 [128688]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher081, task 878 14 [30754]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher138, task 1262 14 [10041]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher089, task 974 14 [120658]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher164, task 1646 14 [37677]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher079, task 846 14 [29890]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher004, task 30 14 [101644]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher071, task 750 14 [27110]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher041, task 415 15 [126475]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher165, task 1662 14 [43863]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher189, task 1999 15 [88698]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher106, task 1038 14 [68328]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher052, task 510 14 [98028]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher149, task 1422 14 [102475]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher110, task 1086 14 [38150]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher162, task 1614 14 [16852]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher118, task 1150 14 [96320]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher096, task 1007 15 [54988]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher113, task 1102 14 [41605]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher153, task 1486 14 [54727]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher032, task 335 15 [104095]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher157, task 1534 14 [94065]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher077, task 814 14 [69781]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher088, task 959 15 [111547]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher080, task 862 14 [86973]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher005, task 46 14 [4364]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher187, task 1966 14 [20572]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher025, task 238 14 [108440]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher150, task 1438 14 [128182]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher144, task 1341 13 [40069]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher184, task 1918 14 [26440]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher147, task 1390 14 [61543]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher136, task 1245 13 [47816]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher018, task 189 13 [75388]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher083, task 909 13 [24447]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher049, task 479 15 [40765]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher072, task 766 14 [125567]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher059, task 621 13 [112750]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher172, task 1773 13 [85497]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher108, task 1053 13 [3326]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher180, task 1869 13 [16333]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - crusher181, task 1887 15 [96034]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher043, task 447 15 [119891]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher191, task 2031 15 [1032]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher021, task 207 15 [55206]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher070, task 735 15 [59352]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher040, task 399 15 [20923]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher151, task 1455 15 [128689]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher081, task 879 15 [30755]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher138, task 1263 15 [10042]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher089, task 975 15 [120659]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher164, task 1647 15 [37678]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher079, task 847 15 [29891]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher004, task 31 15 [101645]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher071, task 751 15 [27111]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher165, task 1663 15 [43864]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher106, task 1039 15 [68329]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher052, task 511 15 [98029]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher149, task 1423 15 [102476]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher110, task 1087 15 [38151]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher162, task 1615 15 [16853]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher118, task 1151 15 [96321]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher113, task 1103 15 [41606]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher153, task 1487 15 [54728]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher157, task 1535 15 [94066]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher077, task 815 15 [69782]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher080, task 863 15 [86974]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher005, task 47 15 [4365]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher187, task 1967 15 [20573]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher025, task 239 15 [108441]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher150, task 1439 15 [128183]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher144, task 1342 14 [40070]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher184, task 1919 15 [26441]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher147, task 1391 15 [61544]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher136, task 1246 14 [47817]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher018, task 190 14 [75389]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher083, task 910 14 [24448]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher072, task 767 15 [125568]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher059, task 622 14 [112751]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher172, task 1774 14 [85498]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher108, task 1054 14 [3327]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher180, task 1870 14 [16334]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - crusher144, task 1343 15 [40071]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher136, task 1247 15 [47818]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher018, task 191 15 [75390]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher083, task 911 15 [24449]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher059, task 623 15 [112752]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher172, task 1775 15 [85499]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher108, task 1055 15 [3328]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - crusher180, task 1871 15 [16335]: 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 23:12:46 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=1
INPUT CARD>! UNCOMMENT THE LINE BELOW FOR POST-HF RUNS
INPUT CARD> RCORSD=1
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= 0.56 TOTAL CPU TIME= 0.6 ( 0.0 MIN)
TOTAL WALL CLOCK TIME= 1.0 SECONDS, CPU UTILIZATION IS 54.31%
CPU 0: STEP CPU TIME= 0.05 TOTAL CPU TIME= 0.6 ( 0.0 MIN)
TOTAL WALL CLOCK TIME= 1.2 SECONDS, CPU UTILIZATION IS 51.17%
----------------------
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= 1.5 SECONDS, CPU UTILIZATION IS 59.20%
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 0.9 ( 0.0 MIN)
TOTAL WALL CLOCK TIME= 1.5 SECONDS, CPU UTILIZATION IS 59.20%
Initialising fragments
CPU 0: STEP CPU TIME= 0.03 TOTAL CPU TIME= 0.9 ( 0.0 MIN)
TOTAL WALL CLOCK TIME= 1.5 SECONDS, CPU UTILIZATION IS 60.08%
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 0.9 ( 0.0 MIN)
TOTAL WALL CLOCK TIME= 1.5 SECONDS, CPU UTILIZATION IS 60.07%
-----------------------------------------------------------------------
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 1.00
No dynamic correlation for dimers with the VdW factor 1.00
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= 2.41 TOTAL CPU TIME= 3.3 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 5.3 SECONDS, CPU UTILIZATION IS 62.34%
There are 3131 separated and 9272 SCF ( 9272 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= 5.8 SECONDS, CPU UTILIZATION IS 60.42%
dmexch needs 1798366 words of memory.
CPU 0: STEP CPU TIME= 2.64 TOTAL CPU TIME= 6.2 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 12.7 SECONDS, CPU UTILIZATION IS 48.76%
Data exchange of 12594342 words took 6.8 s.
call makelmo
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 6.2 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 12.7 SECONDS, CPU UTILIZATION IS 48.76%
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 6.2 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 12.7 SECONDS, CPU UTILIZATION IS 48.76%
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= 6.2 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 14.2 SECONDS, CPU UTILIZATION IS 43.61%
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= 1.57 TOTAL CPU TIME= 7.8 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 16.9 SECONDS, CPU UTILIZATION IS 45.92%
-----------------------------
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= 7.8 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 16.9 SECONDS, CPU UTILIZATION IS 45.98%
---------------------------------------
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= 7.8 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 16.9 SECONDS, CPU UTILIZATION IS 45.98%
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= 0.07 TOTAL CPU TIME= 7.9 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 17.1 SECONDS, CPU UTILIZATION IS 45.92%
Iteration 1: 1 bond AFO construction took 4.5 seconds.
call makelmo done 1.70
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 7.9 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 17.1 SECONDS, CPU UTILIZATION IS 45.92%
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 1877342.9006966166***************** 0.454245709 0.000000000 0.000000000 1.000000000 3169308563 0
---------------START SECOND ORDER SCF---------------
2 1 0 -7047.5609635621***************** 0.074034389 0.046625880 0.000000000 0.000000000 3169308563 0
3 2 0 -7048.0582797524 -0.4973161903 0.039733655 0.008526441 0.000000000 0.000000000 3169210092 0
4 3 0 -7048.1013599681 -0.0430802157 0.015175222 0.003018690 0.000000000 0.000000000 3168726045 0
5 4 0 -7048.1074881937 -0.0061282256 0.002194642 0.000714473 0.000000000 0.000000000 3164676803 0
6 5 0 -7048.1076913374 -0.0002031437 0.000934287 0.000248963 0.000000000 0.000000000 3114058597 0
7 6 0 -7048.1077355362 -0.0000441988 0.000282612 0.000059686 0.000000000 0.000000000 3061102949 0
8 7 0 -7048.1077375266 -0.0000019904 0.000087599 0.000032748 0.000000000 0.000000000 2953018812 0
9 8 0 -7048.1077378785 -0.0000003519 0.000040199 0.000005537 0.000000000 0.000000000 2817769889 0
10 9 0 -7048.1077379058 -0.0000000273 0.000021301 0.000002042 0.000000000 0.000000000 2718931432 0
11 10 0 -7048.1077379112 -0.0000000054 0.000004060 0.000000613 0.000000000 0.000000000 2634172583 0
12 11 0 -7048.1077379100 0.0000000012 0.000001131 0.000000263 0.000000000 0.000000000 2411090806 0
13 12 0 -7048.1077379107 -0.0000000007 0.000000259 0.000000063 0.000000000 0.000000000 2243355317 0
14 13 0 -7048.1077379099 0.0000000009 0.000000147 0.000000025 0.000000000 0.000000000 2054077205 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 -7048.1077379099 AFTER 14 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 70.78 TOTAL CPU TIME= 78.6 ( 1.3 MIN)
TOTAL WALL CLOCK TIME= 88.6 SECONDS, CPU UTILIZATION IS 88.76%
--------------------------------------------------
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= 0.81 TOTAL CPU TIME= 79.5 ( 1.3 MIN)
TOTAL WALL CLOCK TIME= 89.4 SECONDS, CPU UTILIZATION IS 88.86%
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 54.28
.... DONE WITH STATIC POLARIZABILITY ....
CPU 0: STEP CPU TIME= 53.24 TOTAL CPU TIME= 132.7 ( 2.2 MIN)
TOTAL WALL CLOCK TIME= 143.8 SECONDS, CPU UTILIZATION IS 92.26%
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 672.04
...... DONE WITH CPHF CONTRIBUTIONS ......
CPU 0: STEP CPU TIME= 653.36 TOTAL CPU TIME= 786.1 ( 13.1 MIN)
TOTAL WALL CLOCK TIME= 814.6 SECONDS, CPU UTILIZATION IS 96.50%
---------------------
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= -7048.1077379099
E(2)= -5.4336524762
E(MP2)= -7053.5413903860
---------------------
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= -7053.541390386 EFMOu= -7048.107737910
CPU 0: STEP CPU TIME= 7.77 TOTAL CPU TIME= 793.8 ( 13.2 MIN)
TOTAL WALL CLOCK TIME= 820.1 SECONDS, CPU UTILIZATION IS 96.80%
Monomer SCF synchronisation on iteration 1.1 took 0.0 s.
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 793.8 ( 13.2 MIN)
TOTAL WALL CLOCK TIME= 820.1 SECONDS, CPU UTILIZATION IS 96.80%
dmexch needs 1339336 words of memory.
CPU 0: STEP CPU TIME= 0.04 TOTAL CPU TIME= 793.9 ( 13.2 MIN)
TOTAL WALL CLOCK TIME= 820.2 SECONDS, CPU UTILIZATION IS 96.79%
Data exchange of 12594342 words took 0.2 s.
1 AFO iteration(s) took 4.5 s.
------------Monomer SCF for layer 1 converged in 1 iterations!------------
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 793.9 ( 13.2 MIN)
TOTAL WALL CLOCK TIME= 820.2 SECONDS, CPU UTILIZATION IS 96.79%
--------------------------------------
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 = -3.8510183972
--------------------------------------
FINAL EFP ENERGY = -3.8510183972
----------------------------------------
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 -72.621554 160.172608 263.157564
cpu time efpTolpol (s)= 1.54 nproc= 1024
TOTAL POLARIZATION ENERGY = -3.851018397
..... END OF TOTAL POLARIZATION ENERGY .....
CPU 0: STEP CPU TIME= 2.54 TOTAL CPU TIME= 796.4 ( 13.3 MIN)
TOTAL WALL CLOCK TIME= 826.1 SECONDS, CPU UTILIZATION IS 96.41%
--------------------------------------
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 = -0.0003147758
--------------------------------------
FINAL EFP ENERGY = -0.0003147758
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-1.249873 3.545646 -4.689094 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.705574 2.962473 2.931087 5.576629
FRAGMENT 2 MSN4
X Y Z (BOHR) CHARGE
-33.554609 -10.747451 7.226878 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
13.105621 -18.538661 16.079092 27.820432
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-22.644539 -5.920336 3.202574 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
16.811195 -15.576188 19.010178 29.776179
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 80 4 corr= MP2 , LL1= 993 ID= 29
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 134 NBCORE = 134
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 = 134
NUMBER OF CORE -B- ORBITALS = 134
NUMBER OF OCC. -A- ORBITALS = 390
NUMBER OF OCC. -B- ORBITALS = 390
NUMBER OF MOLECULAR ORBITALS = 993
NUMBER OF BASIS FUNCTIONS = 993
AO spaces for 80 4 0 n-mer: L1= 993, L0= 993
Preparing AFOs for this system...
There are 7 occupied and 63 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 -8527.0706512167 -8527.0706512167 0.034869567 0.000000000 0.000000000 1.000000000 2600750129 0
---------------START SECOND ORDER SCF---------------
2 1 0 -8527.2301412711 -0.1594900544 0.007719525 0.001566805 0.000000000 0.000000000 2600177843 0
3 2 0 -8527.2303662487 -0.0002249775 0.004649327 0.001085754 0.000000000 0.000000000 2591620916 0
4 3 0 -8527.2304003112 -0.0000340626 0.000750251 0.000317811 0.000000000 0.000000000 2583365158 0
5 4 0 -8527.2304035801 -0.0000032689 0.000206201 0.000041690 0.000000000 0.000000000 2511659158 0
6 5 0 -8527.2304037041 -0.0000001240 0.000098126 0.000017160 0.000000000 0.000000000 2418939303 0
7 6 0 -8527.2304037194 -0.0000000153 0.000022824 0.000006648 0.000000000 0.000000000 2353724394 0
8 7 0 -8527.2304037212 -0.0000000017 0.000006469 0.000001144 0.000000000 0.000000000 2209662489 0
9 8 0 -8527.2304037188 0.0000000024 0.000002749 0.000000337 0.000000000 0.000000000 2079441362 0
10 9 0 -8527.2304037244 -0.0000000056 0.000000354 0.000000096 0.000000000 0.000000000 1990180616 0
11 10 0 -8527.2304037206 0.0000000038 0.000000122 0.000000046 0.000000000 0.000000000 1779640611 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 46.0 SECONDS ( 4.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 4.5, LAST ITERATION= 3.9
TIME TO SOLVE SCF EQUATIONS= 1.2 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -8527.2304037206 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 48.56 TOTAL CPU TIME= 845.0 ( 14.1 MIN)
TOTAL WALL CLOCK TIME= 880.0 SECONDS, CPU UTILIZATION IS 96.02%
RHF RI MP2 ENERGY
ESCF= -8527.2304037206
E(2)= -8.3228080543
E(MP2)= -8535.5532117750
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
16.925708 -15.673722 19.122681 29.963680
iFrag= 80 jFrag= 4 EFMOc= -8535.553211775
iFrag= 80 jFrag= 4 EFMOu= -8527.230403721 Tr= 0.000314776
--------------------------------------
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 = -0.0003944032
--------------------------------------
FINAL EFP ENERGY = -0.0003944032
----------------------------------------
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)
10.428426 7.258694 -3.686199 13.229844
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
10.577144 -1.867239 -5.914108 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.055531 -1.813040 9.538292 13.276625
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
3.912474 1.303643 -2.249520 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
19.483957 5.445654 5.852093 21.060074
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 144 52 corr= MP2 , LL1= 780 ID= 477
-----------------------
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 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 -4559.0600403821 -4559.0600403821 0.037307070 0.000000000 0.000000000 1.000000000 30091723 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0536676659 0.0063727162 0.010532441 0.003606281 0.000000000 0.000000000 30089558 0
3 2 0 -4559.0540297108 -0.0003620449 0.004532385 0.001209898 0.000000000 0.000000000 30078512 0
4 3 0 -4559.0540701481 -0.0000404373 0.000938885 0.000474964 0.000000000 0.000000000 30045316 0
5 4 0 -4559.0540724268 -0.0000022786 0.000210188 0.000159723 0.000000000 0.000000000 29817895 0
6 5 0 -4559.0540728129 -0.0000003862 0.000081907 0.000035594 0.000000000 0.000000000 29386321 0
7 6 0 -4559.0540728434 -0.0000000305 0.000017734 0.000005136 0.000000000 0.000000000 29145195 0
8 7 0 -4559.0540728445 -0.0000000012 0.000008724 0.000001740 0.000000000 0.000000000 28673596 0
9 8 0 -4559.0540728447 -0.0000000002 0.000001318 0.000000472 0.000000000 0.000000000 28492083 0
10 9 0 -4559.0540728447 -0.0000000000 0.000000318 0.000000216 0.000000000 0.000000000 27948281 0
11 10 0 -4559.0540728447 0.0000000000 0.000000090 0.000000045 0.000000000 0.000000000 27546921 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 -4559.0540728447 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 30.93 TOTAL CPU TIME= 875.9 ( 14.6 MIN)
TOTAL WALL CLOCK TIME= 900.8 SECONDS, CPU UTILIZATION IS 97.23%
RHF RI MP2 ENERGY
ESCF= -4559.0540728447
E(2)= -7.6685465395
E(MP2)= -4566.7226193842
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
19.533953 5.323560 5.791434 21.058402
iFrag= 144 jFrag= 52 EFMOc= -4566.722619384
iFrag= 144 jFrag= 52 EFMOu= -4559.054072845 Tr= 0.000394403
--------------------------------------
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 = -0.0003495941
--------------------------------------
FINAL EFP ENERGY = -0.0003495941
----------------------------------------
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)
-7.051614 -6.879493 -8.958304 13.315551
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-5.358172 5.089957 -4.721797 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
16.752625 -4.812766 4.837704 18.089127
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-2.045616 -2.559583 1.021003 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.701011 -11.692259 -4.120601 15.741597
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 70 33 corr= MP2 , LL1= 780 ID= 590
-----------------------
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 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 -4559.0917281032 -4559.0917281032 0.063278165 0.000000000 0.000000000 1.000000000 22798980 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0569719825 0.0347561207 0.006818760 0.003148864 0.000000000 0.000000000 22798589 0
3 2 0 -4559.0571868796 -0.0002148970 0.003317317 0.001152117 0.000000000 0.000000000 22789680 0
4 3 0 -4559.0572136467 -0.0000267671 0.000683954 0.000420945 0.000000000 0.000000000 22776116 0
5 4 0 -4559.0572159035 -0.0000022567 0.000173350 0.000097767 0.000000000 0.000000000 22673755 0
6 5 0 -4559.0572160769 -0.0000001735 0.000093815 0.000022241 0.000000000 0.000000000 22532229 0
7 6 0 -4559.0572160962 -0.0000000193 0.000026832 0.000005634 0.000000000 0.000000000 22466427 0
8 7 0 -4559.0572160973 -0.0000000011 0.000007363 0.000002293 0.000000000 0.000000000 22287119 0
9 8 0 -4559.0572160974 -0.0000000001 0.000000812 0.000000533 0.000000000 0.000000000 22088850 0
10 9 0 -4559.0572160975 -0.0000000000 0.000000407 0.000000176 0.000000000 0.000000000 21671448 0
11 10 0 -4559.0572160974 0.0000000000 0.000000095 0.000000039 0.000000000 0.000000000 21584953 0
12 11 0 -4559.0572160974 0.0000000000 0.000000041 0.000000011 0.000000000 0.000000000 21384450 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 -4559.0572160974 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.82 TOTAL CPU TIME= 893.7 ( 14.9 MIN)
TOTAL WALL CLOCK TIME= 912.9 SECONDS, CPU UTILIZATION IS 97.89%
RHF RI MP2 ENERGY
ESCF= -4559.0572160974
E(2)= -7.6671891154
E(MP2)= -4566.7244052129
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.698617 -11.689584 -4.128534 15.740215
iFrag= 70 jFrag= 33 EFMOc= -4566.724405213
iFrag= 70 jFrag= 33 EFMOu= -4559.057216097 Tr= 0.000349594
--------------------------------------
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 = -0.0003679577
--------------------------------------
FINAL EFP ENERGY = -0.0003679577
----------------------------------------
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)
10.044269 5.614115 15.510345 19.312598
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.656552 6.208680 -1.339720 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.105665 3.272147 -20.633611 21.506294
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.462938 4.041282 -1.221487 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
15.149934 8.886262 -5.123266 18.295737
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 151 63 corr= MP2 , LL1= 780 ID= 700
-----------------------
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 63 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 -4559.0386839097 -4559.0386839097 0.049164139 0.000000000 0.000000000 1.000000000 26996637 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0328719016 0.0058120082 0.014136703 0.004432134 0.000000000 0.000000000 26995705 0
3 2 0 -4559.0332404257 -0.0003685242 0.007213186 0.001381875 0.000000000 0.000000000 26990958 0
4 3 0 -4559.0332944570 -0.0000540312 0.000830739 0.000537406 0.000000000 0.000000000 26981592 0
5 4 0 -4559.0332990518 -0.0000045948 0.000339951 0.000109386 0.000000000 0.000000000 26817855 0
6 5 0 -4559.0332993134 -0.0000002616 0.000102239 0.000022677 0.000000000 0.000000000 26699549 0
7 6 0 -4559.0332993411 -0.0000000277 0.000018722 0.000006565 0.000000000 0.000000000 26488358 0
8 7 0 -4559.0332993423 -0.0000000012 0.000007172 0.000002040 0.000000000 0.000000000 26098251 0
9 8 0 -4559.0332993424 -0.0000000002 0.000001726 0.000000995 0.000000000 0.000000000 25884565 0
10 9 0 -4559.0332993424 0.0000000000 0.000000350 0.000000273 0.000000000 0.000000000 25575721 0
11 10 0 -4559.0332993425 -0.0000000000 0.000000105 0.000000048 0.000000000 0.000000000 25257449 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 -4559.0332993425 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.53 TOTAL CPU TIME= 911.2 ( 15.2 MIN)
TOTAL WALL CLOCK TIME= 924.6 SECONDS, CPU UTILIZATION IS 98.55%
RHF RI MP2 ENERGY
ESCF= -4559.0332993425
E(2)= -7.6685261929
E(MP2)= -4566.7018255354
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
15.064509 8.820237 -5.001226 18.158972
iFrag= 151 jFrag= 63 EFMOc= -4566.701825535
iFrag= 151 jFrag= 63 EFMOu= -4559.033299342 Tr= 0.000367958
--------------------------------------
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 = -0.0005151719
--------------------------------------
FINAL EFP ENERGY = -0.0005151719
----------------------------------------
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)
-13.860909 2.639417 -1.078718 14.151147
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
6.061710 5.964785 0.883819 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-9.078448 -0.656776 18.199860 20.349066
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
3.434879 8.078304 -0.378656 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-22.939357 1.982641 17.121142 28.692829
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 147 37 corr= MP2 , LL1= 780 ID= 823
-----------------------
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 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 -4559.1020521032 -4559.1020521032 0.100295686 0.000000000 0.000000000 1.000000000 29465887 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0374460412 0.0646060620 0.014999706 0.003350562 0.000000000 0.000000000 29465622 0
3 2 0 -4559.0379860309 -0.0005399898 0.006668045 0.000928308 0.000000000 0.000000000 29456979 0
4 3 0 -4559.0380385926 -0.0000525617 0.001149363 0.000647186 0.000000000 0.000000000 29441977 0
5 4 0 -4559.0380456004 -0.0000070078 0.000213318 0.000078464 0.000000000 0.000000000 29265922 0
6 5 0 -4559.0380459574 -0.0000003569 0.000127472 0.000032043 0.000000000 0.000000000 28947564 0
7 6 0 -4559.0380460095 -0.0000000521 0.000013748 0.000007190 0.000000000 0.000000000 28748958 0
8 7 0 -4559.0380460108 -0.0000000013 0.000009327 0.000003018 0.000000000 0.000000000 28264030 0
9 8 0 -4559.0380460111 -0.0000000003 0.000001860 0.000000927 0.000000000 0.000000000 28166281 0
10 9 0 -4559.0380460111 -0.0000000000 0.000000508 0.000000200 0.000000000 0.000000000 27752357 0
11 10 0 -4559.0380460111 0.0000000000 0.000000156 0.000000036 0.000000000 0.000000000 27410807 0
12 11 0 -4559.0380460111 -0.0000000000 0.000000037 0.000000018 0.000000000 0.000000000 27044239 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 -4559.0380460111 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 18.00 TOTAL CPU TIME= 929.3 ( 15.5 MIN)
TOTAL WALL CLOCK TIME= 936.8 SECONDS, CPU UTILIZATION IS 99.20%
RHF RI MP2 ENERGY
ESCF= -4559.0380460111
E(2)= -7.6696112386
E(MP2)= -4566.7076572497
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-22.874693 1.756587 17.006518 28.557991
iFrag= 147 jFrag= 37 EFMOc= -4566.707657250
iFrag= 147 jFrag= 37 EFMOu= -4559.038046011 Tr= 0.000515172
--------------------------------------
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 = -0.0004853901
--------------------------------------
FINAL EFP ENERGY = -0.0004853901
----------------------------------------
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)
10.479220 7.250636 -3.684002 13.264902
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
0.475555 -1.852263 -0.316523 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.336549 3.254658 -4.658594 5.692852
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.138320 1.311131 0.549273 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.142670 10.505293 -8.342596 16.817665
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 144 71 corr= MP2 , LL1= 780 ID= 948
-----------------------
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 71 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 -4559.0779634658 -4559.0779634658 0.058199548 0.000000000 0.000000000 1.000000000 28004571 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0513434898 0.0266199761 0.007744227 0.002917576 0.000000000 0.000000000 28003634 0
3 2 0 -4559.0517468700 -0.0004033802 0.004285612 0.001103903 0.000000000 0.000000000 27986376 0
4 3 0 -4559.0518030191 -0.0000561491 0.000914663 0.000643241 0.000000000 0.000000000 27958998 0
5 4 0 -4559.0518088172 -0.0000057980 0.000239859 0.000123795 0.000000000 0.000000000 27745358 0
6 5 0 -4559.0518092547 -0.0000004375 0.000136303 0.000041695 0.000000000 0.000000000 27451104 0
7 6 0 -4559.0518093032 -0.0000000485 0.000022287 0.000007057 0.000000000 0.000000000 27315820 0
8 7 0 -4559.0518093048 -0.0000000016 0.000008615 0.000002705 0.000000000 0.000000000 26867151 0
9 8 0 -4559.0518093050 -0.0000000002 0.000001988 0.000001192 0.000000000 0.000000000 26584771 0
10 9 0 -4559.0518093050 -0.0000000000 0.000000297 0.000000123 0.000000000 0.000000000 26258291 0
11 10 0 -4559.0518093050 -0.0000000000 0.000000149 0.000000050 0.000000000 0.000000000 25765467 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 -4559.0518093050 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.70 TOTAL CPU TIME= 946.9 ( 15.8 MIN)
TOTAL WALL CLOCK TIME= 948.5 SECONDS, CPU UTILIZATION IS 99.83%
RHF RI MP2 ENERGY
ESCF= -4559.0518093050
E(2)= -7.6668114686
E(MP2)= -4566.7186207736
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.985093 10.529675 -8.331631 16.732968
iFrag= 144 jFrag= 71 EFMOc= -4566.718620774
iFrag= 144 jFrag= 71 EFMOu= -4559.051809305 Tr= 0.000485390
--------------------------------------
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 = -0.0003595853
--------------------------------------
FINAL EFP ENERGY = -0.0003595853
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
0.355702 7.901425 2.242069 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-11.917287 -3.937023 -9.260689 15.597507
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
3.912630 3.313886 2.522592 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.085625 6.997770 5.282384 9.672885
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.134166 5.607655 2.382331 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-7.831662 3.060747 -3.978304 9.302151
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 156 18 corr= MP2 , LL1= 780 ID= 1069
-----------------------
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 156 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 -4559.0610135804 -4559.0610135804 0.045146512 0.000000000 0.000000000 1.000000000 27310918 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0529439504 0.0080696300 0.010340858 0.002815071 0.000000000 0.000000000 27309437 0
3 2 0 -4559.0532147405 -0.0002707900 0.004180858 0.000952371 0.000000000 0.000000000 27301047 0
4 3 0 -4559.0532417872 -0.0000270467 0.000493055 0.000313327 0.000000000 0.000000000 27270699 0
5 4 0 -4559.0532441552 -0.0000023680 0.000219129 0.000089821 0.000000000 0.000000000 27024670 0
6 5 0 -4559.0532443777 -0.0000002225 0.000086646 0.000018903 0.000000000 0.000000000 26886551 0
7 6 0 -4559.0532444019 -0.0000000242 0.000016878 0.000004435 0.000000000 0.000000000 26658179 0
8 7 0 -4559.0532444030 -0.0000000011 0.000005946 0.000001930 0.000000000 0.000000000 26310149 0
9 8 0 -4559.0532444031 -0.0000000001 0.000001569 0.000000676 0.000000000 0.000000000 26070496 0
10 9 0 -4559.0532444031 -0.0000000000 0.000000380 0.000000235 0.000000000 0.000000000 25738048 0
11 10 0 -4559.0532444031 -0.0000000000 0.000000165 0.000000052 0.000000000 0.000000000 25415056 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 -4559.0532444031 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.64 TOTAL CPU TIME= 964.6 ( 16.1 MIN)
TOTAL WALL CLOCK TIME= 960.2 SECONDS, CPU UTILIZATION IS 100.45%
RHF RI MP2 ENERGY
ESCF= -4559.0532444031
E(2)= -7.6663673038
E(MP2)= -4566.7196117069
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-7.859176 2.926770 -3.972228 9.279613
iFrag= 156 jFrag= 18 EFMOc= -4566.719611707
iFrag= 156 jFrag= 18 EFMOu= -4559.053244403 Tr= 0.000359585
--------------------------------------
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 = -0.0004875824
--------------------------------------
FINAL EFP ENERGY = -0.0004875824
----------------------------------------
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)
0.667596 -3.471350 -6.154087 7.097094
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
-4.185838 0.889706 5.495300 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.750350 -0.078755 5.893412 6.504070
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.733465 4.858143 0.119681 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.082754 -3.550105 -0.260675 4.124204
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 155 115 corr= MP2 , LL1= 780 ID= 1190
-----------------------
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 155 115 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 -4559.0376844315 -4559.0376844315 0.044231130 0.000000000 0.000000000 1.000000000 27007300 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0236654025 0.0140190291 0.012446835 0.003923463 0.000000000 0.000000000 27006011 0
3 2 0 -4559.0241800784 -0.0005146759 0.006471074 0.001324998 0.000000000 0.000000000 26998167 0
4 3 0 -4559.0242583427 -0.0000782643 0.001572693 0.000595102 0.000000000 0.000000000 26984416 0
5 4 0 -4559.0242641421 -0.0000057994 0.000311018 0.000163111 0.000000000 0.000000000 26898581 0
6 5 0 -4559.0242646571 -0.0000005150 0.000079385 0.000037170 0.000000000 0.000000000 26620795 0
7 6 0 -4559.0242646987 -0.0000000417 0.000029504 0.000006304 0.000000000 0.000000000 26318121 0
8 7 0 -4559.0242647005 -0.0000000017 0.000012707 0.000003541 0.000000000 0.000000000 26061403 0
9 8 0 -4559.0242647007 -0.0000000003 0.000001842 0.000000839 0.000000000 0.000000000 25920644 0
10 9 0 -4559.0242647007 -0.0000000000 0.000000589 0.000000169 0.000000000 0.000000000 25531283 0
11 10 0 -4559.0242647008 -0.0000000000 0.000000257 0.000000060 0.000000000 0.000000000 25258327 0
12 11 0 -4559.0242647008 -0.0000000000 0.000000049 0.000000018 0.000000000 0.000000000 25045020 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 -4559.0242647008 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.84 TOTAL CPU TIME= 982.4 ( 16.4 MIN)
TOTAL WALL CLOCK TIME= 972.3 SECONDS, CPU UTILIZATION IS 101.05%
RHF RI MP2 ENERGY
ESCF= -4559.0242647008
E(2)= -7.6696243006
E(MP2)= -4566.6938890013
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.116378 -3.753248 -0.275665 4.317629
iFrag= 155 jFrag= 115 EFMOc= -4566.693889001
iFrag= 155 jFrag= 115 EFMOu= -4559.024264701 Tr= 0.000487582
--------------------------------------
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 = -0.0003200816
--------------------------------------
FINAL EFP ENERGY = -0.0003200816
----------------------------------------
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)
7.602253 3.428791 10.464648 13.381320
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.184722 6.185355 -0.082507 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.510991 -5.714739 2.785755 7.262626
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
3.504065 1.712608 -1.007006 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.091261 -2.285948 13.250404 14.054792
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 141 9 corr= MP2 , LL1= 780 ID= 1313
-----------------------
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 9 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 -4559.0383959235 -4559.0383959235 0.024979771 0.000000000 0.000000000 1.000000000 32001866 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0380087278 0.0003871956 0.007095934 0.002339967 0.000000000 0.000000000 31997901 0
3 2 0 -4559.0381302088 -0.0001214809 0.003372355 0.000663739 0.000000000 0.000000000 31977484 0
4 3 0 -4559.0381438755 -0.0000136667 0.000381467 0.000286295 0.000000000 0.000000000 31933366 0
5 4 0 -4559.0381453946 -0.0000015192 0.000145518 0.000048265 0.000000000 0.000000000 31538883 0
6 5 0 -4559.0381454778 -0.0000000831 0.000044660 0.000012868 0.000000000 0.000000000 31306856 0
7 6 0 -4559.0381454875 -0.0000000098 0.000006597 0.000002594 0.000000000 0.000000000 31009808 0
8 7 0 -4559.0381454879 -0.0000000004 0.000003269 0.000001398 0.000000000 0.000000000 30416020 0
9 8 0 -4559.0381454880 -0.0000000001 0.000000760 0.000000385 0.000000000 0.000000000 30185410 0
10 9 0 -4559.0381454879 0.0000000000 0.000000174 0.000000083 0.000000000 0.000000000 29716433 0
11 10 0 -4559.0381454880 -0.0000000000 0.000000089 0.000000027 0.000000000 0.000000000 29265695 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 -4559.0381454880 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.75 TOTAL CPU TIME= 1000.2 ( 16.7 MIN)
TOTAL WALL CLOCK TIME= 984.4 SECONDS, CPU UTILIZATION IS 101.60%
RHF RI MP2 ENERGY
ESCF= -4559.0381454880
E(2)= -7.6710952006
E(MP2)= -4566.7092406886
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.026861 -2.250476 13.335719 14.111047
iFrag= 141 jFrag= 9 EFMOc= -4566.709240689
iFrag= 141 jFrag= 9 EFMOu= -4559.038145488 Tr= 0.000320082
--------------------------------------
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 = -0.0005232609
--------------------------------------
FINAL EFP ENERGY = -0.0005232609
----------------------------------------
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)
-2.461323 17.958272 3.994377 18.561053
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
3.367530 -6.267035 2.634233 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.176997 -2.545377 -17.815538 18.274727
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-0.522474 -1.384182 2.686655 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.715674 15.412896 -13.821162 20.714586
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 150 94 corr= MP2 , LL1= 780 ID= 1441
-----------------------
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 94 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 -4559.0628298740 -4559.0628298740 0.060398390 0.000000000 0.000000000 1.000000000 24673894 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0306528477 0.0321770262 0.013092201 0.004410021 0.000000000 0.000000000 24673494 0
3 2 0 -4559.0312423072 -0.0005894595 0.007183702 0.001586576 0.000000000 0.000000000 24668081 0
4 3 0 -4559.0313346057 -0.0000922985 0.001429626 0.000796110 0.000000000 0.000000000 24660940 0
5 4 0 -4559.0313434288 -0.0000088230 0.000463450 0.000146276 0.000000000 0.000000000 24565473 0
6 5 0 -4559.0313441147 -0.0000006860 0.000136682 0.000044633 0.000000000 0.000000000 24427950 0
7 6 0 -4559.0313441812 -0.0000000665 0.000025541 0.000008897 0.000000000 0.000000000 24264219 0
8 7 0 -4559.0313441833 -0.0000000021 0.000010015 0.000006729 0.000000000 0.000000000 23978018 0
9 8 0 -4559.0313441838 -0.0000000004 0.000001538 0.000000892 0.000000000 0.000000000 23832901 0
10 9 0 -4559.0313441838 -0.0000000000 0.000000466 0.000000150 0.000000000 0.000000000 23466431 0
11 10 0 -4559.0313441838 -0.0000000000 0.000000132 0.000000049 0.000000000 0.000000000 23176104 0
12 11 0 -4559.0313441838 -0.0000000000 0.000000048 0.000000025 0.000000000 0.000000000 22990884 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 -4559.0313441838 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.86 TOTAL CPU TIME= 1018.0 ( 17.0 MIN)
TOTAL WALL CLOCK TIME= 997.4 SECONDS, CPU UTILIZATION IS 102.07%
RHF RI MP2 ENERGY
ESCF= -4559.0313441838
E(2)= -7.6682479311
E(MP2)= -4566.6995921149
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.688409 15.413559 -13.829827 20.719938
iFrag= 150 jFrag= 94 EFMOc= -4566.699592115
iFrag= 150 jFrag= 94 EFMOu= -4559.031344184 Tr= 0.000523261
--------------------------------------
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 = -0.0003286309
--------------------------------------
FINAL EFP ENERGY = -0.0003286309
----------------------------------------
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)
4.536844 -8.466350 -13.166578 16.297877
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
3.287386 4.604838 7.368245 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.607490 -9.573246 -0.052043 11.094760
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-2.002842 -3.746205 5.559067 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.144334 -18.039596 -13.218621 24.557412
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 148 24 corr= MP2 , LL1= 780 ID= 1569
-----------------------
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 24 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 -4559.0830835109 -4559.0830835109 0.050995812 0.000000000 0.000000000 1.000000000 23900196 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0594732258 0.0236102851 0.011947760 0.005596479 0.000000000 0.000000000 23899737 0
3 2 0 -4559.0599011238 -0.0004278980 0.006773307 0.001846387 0.000000000 0.000000000 23894385 0
4 3 0 -4559.0599693154 -0.0000681916 0.000962946 0.000826299 0.000000000 0.000000000 23886896 0
5 4 0 -4559.0599758637 -0.0000065483 0.000366728 0.000139019 0.000000000 0.000000000 23750316 0
6 5 0 -4559.0599763402 -0.0000004766 0.000128048 0.000042294 0.000000000 0.000000000 23676430 0
7 6 0 -4559.0599763844 -0.0000000442 0.000024391 0.000005701 0.000000000 0.000000000 23513506 0
8 7 0 -4559.0599763858 -0.0000000015 0.000009800 0.000002655 0.000000000 0.000000000 23173632 0
9 8 0 -4559.0599763861 -0.0000000002 0.000001845 0.000001040 0.000000000 0.000000000 23064299 0
10 9 0 -4559.0599763861 -0.0000000000 0.000000443 0.000000153 0.000000000 0.000000000 22837509 0
11 10 0 -4559.0599763861 0.0000000000 0.000000132 0.000000051 0.000000000 0.000000000 22629418 0
12 11 0 -4559.0599763861 0.0000000000 0.000000041 0.000000024 0.000000000 0.000000000 22417053 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 -4559.0599763861 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 18.17 TOTAL CPU TIME= 1036.2 ( 17.3 MIN)
TOTAL WALL CLOCK TIME= 1009.1 SECONDS, CPU UTILIZATION IS 102.68%
RHF RI MP2 ENERGY
ESCF= -4559.0599763861
E(2)= -7.6672837572
E(MP2)= -4566.7272601433
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.136208 -17.984314 -13.172981 24.488889
iFrag= 148 jFrag= 24 EFMOc= -4566.727260143
iFrag= 148 jFrag= 24 EFMOu= -4559.059976386 Tr= 0.000328631
--------------------------------------
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 = -0.0005966827
--------------------------------------
FINAL EFP ENERGY = -0.0005966827
----------------------------------------
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)
0.384705 -6.424009 -2.730451 6.990798
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
2.759721 1.438060 -0.690742 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.339143 1.789140 -8.752264 8.939696
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-3.132516 2.429265 -0.885093 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.723848 -4.634869 -11.482715 12.403980
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 146 112 corr= MP2 , LL1= 780 ID= 1693
-----------------------
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 146 112 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 -4559.0440531081 -4559.0440531081 0.046555190 0.000000000 0.000000000 1.000000000 27092273 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0291226388 0.0149304692 0.009450523 0.002743988 0.000000000 0.000000000 27091422 0
3 2 0 -4559.0295722861 -0.0004496473 0.004897845 0.000927319 0.000000000 0.000000000 27082962 0
4 3 0 -4559.0296279963 -0.0000557102 0.000809277 0.000538182 0.000000000 0.000000000 27066040 0
5 4 0 -4559.0296338896 -0.0000058933 0.000299324 0.000104240 0.000000000 0.000000000 26909974 0
6 5 0 -4559.0296343168 -0.0000004272 0.000161356 0.000033151 0.000000000 0.000000000 26795401 0
7 6 0 -4559.0296343686 -0.0000000519 0.000028192 0.000005886 0.000000000 0.000000000 26712799 0
8 7 0 -4559.0296343704 -0.0000000018 0.000012146 0.000002327 0.000000000 0.000000000 26429674 0
9 8 0 -4559.0296343707 -0.0000000003 0.000002189 0.000000897 0.000000000 0.000000000 26244056 0
10 9 0 -4559.0296343707 -0.0000000000 0.000000447 0.000000144 0.000000000 0.000000000 25903205 0
11 10 0 -4559.0296343707 -0.0000000000 0.000000186 0.000000051 0.000000000 0.000000000 25589887 0
12 11 0 -4559.0296343707 -0.0000000000 0.000000000 0.000000009 0.000000000 0.000000000 25440174 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 ( 0.0 SEC/ITER)
FINAL RHF ENERGY IS -4559.0296343707 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.81 TOTAL CPU TIME= 1054.0 ( 17.6 MIN)
TOTAL WALL CLOCK TIME= 1021.0 SECONDS, CPU UTILIZATION IS 103.23%
RHF RI MP2 ENERGY
ESCF= -4559.0296343707
E(2)= -7.6717009473
E(MP2)= -4566.7013353180
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.983159 -4.636309 -11.679380 12.604360
iFrag= 146 jFrag= 112 EFMOc= -4566.701335318
iFrag= 146 jFrag= 112 EFMOu= -4559.029634371 Tr= 0.000596683
--------------------------------------
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 = -0.0002450181
--------------------------------------
FINAL EFP ENERGY = -0.0002450181
----------------------------------------
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)
-14.907301 3.826394 4.284995 15.975922
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
3.287386 4.604838 7.368245 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.505805 -9.630959 -0.092954 11.094048
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.480006 2.746833 5.470620 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-9.401496 -5.804565 4.192041 11.817542
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 103 24 corr= MP2 , LL1= 780 ID= 1816
-----------------------
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 24 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 -4559.0429729239 -4559.0429729239 0.047729056 0.000000000 0.000000000 1.000000000 24413608 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0444311510 -0.0014582271 0.010273812 0.002945190 0.000000000 0.000000000 24412864 0
3 2 0 -4559.0447048133 -0.0002736623 0.003783845 0.000816759 0.000000000 0.000000000 24405420 0
4 3 0 -4559.0447275586 -0.0000227453 0.000608989 0.000396585 0.000000000 0.000000000 24382726 0
5 4 0 -4559.0447299354 -0.0000023768 0.000207088 0.000089200 0.000000000 0.000000000 24236296 0
6 5 0 -4559.0447301609 -0.0000002255 0.000090152 0.000020572 0.000000000 0.000000000 24088526 0
7 6 0 -4559.0447301917 -0.0000000309 0.000009567 0.000004056 0.000000000 0.000000000 23901170 0
8 7 0 -4559.0447301925 -0.0000000008 0.000004610 0.000001427 0.000000000 0.000000000 23524454 0
9 8 0 -4559.0447301927 -0.0000000001 0.000001301 0.000000687 0.000000000 0.000000000 23437342 0
10 9 0 -4559.0447301927 -0.0000000000 0.000000314 0.000000243 0.000000000 0.000000000 23204718 0
11 10 0 -4559.0447301927 -0.0000000000 0.000000100 0.000000038 0.000000000 0.000000000 22858522 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 -4559.0447301927 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.56 TOTAL CPU TIME= 1071.6 ( 17.9 MIN)
TOTAL WALL CLOCK TIME= 1032.7 SECONDS, CPU UTILIZATION IS 103.77%
RHF RI MP2 ENERGY
ESCF= -4559.0447301927
E(2)= -7.6671215419
E(MP2)= -4566.7118517346
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-9.510721 -5.811953 4.178951 11.903623
iFrag= 103 jFrag= 24 EFMOc= -4566.711851735
iFrag= 103 jFrag= 24 EFMOu= -4559.044730193 Tr= 0.000245018
--------------------------------------
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 = -0.0004860261
--------------------------------------
FINAL EFP ENERGY = -0.0004860261
----------------------------------------
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)
0.420130 -3.367619 5.571958 6.524115
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
2.030975 -0.997623 4.857671 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
14.765301 10.097523 11.955874 21.515506
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
1.233208 2.117645 2.524315 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
15.185430 6.729905 17.527831 24.147749
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 143 88 corr= MP2 , LL1= 780 ID= 1937
-----------------------
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 88 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 -4559.0615525208 -4559.0615525208 0.053668114 0.000000000 0.000000000 1.000000000 25151632 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0332820018 0.0282705190 0.013114176 0.004557327 0.000000000 0.000000000 25150837 0
3 2 0 -4559.0337584919 -0.0004764901 0.005941378 0.001514874 0.000000000 0.000000000 25145686 0
4 3 0 -4559.0338156716 -0.0000571797 0.000819819 0.000381968 0.000000000 0.000000000 25131900 0
5 4 0 -4559.0338190270 -0.0000033554 0.000282218 0.000139983 0.000000000 0.000000000 24959155 0
6 5 0 -4559.0338196635 -0.0000006365 0.000121467 0.000028455 0.000000000 0.000000000 24791749 0
7 6 0 -4559.0338197170 -0.0000000535 0.000019012 0.000006597 0.000000000 0.000000000 24687630 0
8 7 0 -4559.0338197189 -0.0000000019 0.000009021 0.000002442 0.000000000 0.000000000 24381942 0
9 8 0 -4559.0338197192 -0.0000000003 0.000002230 0.000000986 0.000000000 0.000000000 24274696 0
10 9 0 -4559.0338197192 -0.0000000000 0.000000352 0.000000230 0.000000000 0.000000000 23939223 0
11 10 0 -4559.0338197192 0.0000000000 0.000000159 0.000000050 0.000000000 0.000000000 23622410 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 -4559.0338197192 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.59 TOTAL CPU TIME= 1089.2 ( 18.2 MIN)
TOTAL WALL CLOCK TIME= 1044.4 SECONDS, CPU UTILIZATION IS 104.29%
RHF RI MP2 ENERGY
ESCF= -4559.0338197192
E(2)= -7.6695841135
E(MP2)= -4566.7034038327
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
15.268100 6.641085 17.521774 24.170880
iFrag= 143 jFrag= 88 EFMOc= -4566.703403833
iFrag= 143 jFrag= 88 EFMOu= -4559.033819719 Tr= 0.000486026
--------------------------------------
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 = -0.0001692703
--------------------------------------
FINAL EFP ENERGY = -0.0001692703
----------------------------------------
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)
-1.134013 -1.039493 -5.988016 6.182465
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
5.150544 -1.454896 2.087464 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.820718 -3.472363 -11.899214 12.712398
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
3.386118 -1.341213 -0.791490 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.954731 -4.511856 -17.887230 18.866631
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 142 101 corr= MP2 , LL1= 780 ID= 2055
-----------------------
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 142 101 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 -4559.0930970570 -4559.0930970570 0.085134977 0.000000000 0.000000000 1.000000000 25816361 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0421929544 0.0509041026 0.009767018 0.004339881 0.000000000 0.000000000 25816036 0
3 2 0 -4559.0424477539 -0.0002547995 0.005554919 0.001548368 0.000000000 0.000000000 25807089 0
4 3 0 -4559.0424916811 -0.0000439271 0.001087194 0.000554089 0.000000000 0.000000000 25793604 0
5 4 0 -4559.0424961424 -0.0000044613 0.000510025 0.000158084 0.000000000 0.000000000 25631631 0
6 5 0 -4559.0424966855 -0.0000005431 0.000081046 0.000030761 0.000000000 0.000000000 25489319 0
7 6 0 -4559.0424967030 -0.0000000175 0.000018112 0.000009180 0.000000000 0.000000000 25141240 0
8 7 0 -4559.0424967042 -0.0000000012 0.000003613 0.000001413 0.000000000 0.000000000 24841893 0
9 8 0 -4559.0424967043 -0.0000000001 0.000000987 0.000000562 0.000000000 0.000000000 24444992 0
10 9 0 -4559.0424967043 0.0000000000 0.000000322 0.000000151 0.000000000 0.000000000 24219853 0
11 10 0 -4559.0424967043 -0.0000000000 0.000000148 0.000000040 0.000000000 0.000000000 23864867 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 -4559.0424967043 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.62 TOTAL CPU TIME= 1106.8 ( 18.4 MIN)
TOTAL WALL CLOCK TIME= 1055.9 SECONDS, CPU UTILIZATION IS 104.81%
RHF RI MP2 ENERGY
ESCF= -4559.0424967043
E(2)= -7.6635251196
E(MP2)= -4566.7060218239
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.990090 -4.463376 -17.831023 18.809251
iFrag= 142 jFrag= 101 EFMOc= -4566.706021824
iFrag= 142 jFrag= 101 EFMOu= -4559.042496704 Tr= 0.000169270
--------------------------------------
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 = -0.0003141865
--------------------------------------
FINAL EFP ENERGY = -0.0003141865
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
2.105441 2.081255 3.046020 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.357853 9.697558 8.000189 14.566525
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
3.470318 0.296228 -2.137017 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.701388 9.973132 -1.428019 10.099235
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.787880 1.188741 0.454502 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
8.059240 19.670690 6.572170 22.250412
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 48 8 corr= MP2 , LL1= 780 ID= 2177
-----------------------
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 48 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 -4559.0363083181 -4559.0363083181 0.045289142 0.000000000 0.000000000 1.000000000 29092557 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0282230113 0.0080853069 0.011846237 0.003233712 0.000000000 0.000000000 29091104 0
3 2 0 -4559.0284509069 -0.0002278956 0.005481967 0.001162729 0.000000000 0.000000000 29083361 0
4 3 0 -4559.0284764309 -0.0000255240 0.000624437 0.000423692 0.000000000 0.000000000 29066538 0
5 4 0 -4559.0284793496 -0.0000029187 0.000272939 0.000070649 0.000000000 0.000000000 28831040 0
6 5 0 -4559.0284796219 -0.0000002724 0.000165010 0.000023847 0.000000000 0.000000000 28672099 0
7 6 0 -4559.0284796558 -0.0000000338 0.000024418 0.000006075 0.000000000 0.000000000 28569541 0
8 7 0 -4559.0284796568 -0.0000000011 0.000008083 0.000002631 0.000000000 0.000000000 28020752 0
9 8 0 -4559.0284796570 -0.0000000002 0.000002279 0.000000694 0.000000000 0.000000000 27711428 0
10 9 0 -4559.0284796571 -0.0000000000 0.000000368 0.000000085 0.000000000 0.000000000 27475313 0
11 10 0 -4559.0284796570 0.0000000001 0.000000177 0.000000027 0.000000000 0.000000000 26993684 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 -4559.0284796570 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.65 TOTAL CPU TIME= 1124.4 ( 18.7 MIN)
TOTAL WALL CLOCK TIME= 1067.9 SECONDS, CPU UTILIZATION IS 105.30%
RHF RI MP2 ENERGY
ESCF= -4559.0284796570
E(2)= -7.6713050781
E(MP2)= -4566.6997847351
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.899157 19.749185 6.633882 22.280830
iFrag= 48 jFrag= 8 EFMOc= -4566.699784735
iFrag= 48 jFrag= 8 EFMOu= -4559.028479657 Tr= 0.000314187
--------------------------------------
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 = -0.0003951300
--------------------------------------
FINAL EFP ENERGY = -0.0003951300
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
4.227568 -3.127243 -6.925006 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.593714 -8.440169 5.931465 10.923988
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.440057 0.242677 -4.615149 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.440280 15.935398 -13.254127 20.731682
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.833812 -1.442283 -5.770077 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-4.033994 7.495230 -7.322661 11.228221
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 35 15 corr= MP2 , LL1= 780 ID= 2304
-----------------------
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 35 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 -4559.1230151581 -4559.1230151581 0.119633479 0.000000000 0.000000000 1.000000000 29978868 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0299297694 0.0930853887 0.009009152 0.005224164 0.000000000 0.000000000 29978788 0
3 2 0 -4559.0304770614 -0.0005472920 0.004076536 0.001582492 0.000000000 0.000000000 29966983 0
4 3 0 -4559.0305498427 -0.0000727813 0.001213526 0.000654991 0.000000000 0.000000000 29942971 0
5 4 0 -4559.0305576955 -0.0000078527 0.000319801 0.000221063 0.000000000 0.000000000 29849527 0
6 5 0 -4559.0305583867 -0.0000006912 0.000236471 0.000045113 0.000000000 0.000000000 29650723 0
7 6 0 -4559.0305584685 -0.0000000818 0.000037100 0.000011298 0.000000000 0.000000000 29579003 0
8 7 0 -4559.0305584715 -0.0000000030 0.000012869 0.000004260 0.000000000 0.000000000 29172684 0
9 8 0 -4559.0305584720 -0.0000000004 0.000002234 0.000001207 0.000000000 0.000000000 28953147 0
10 9 0 -4559.0305584720 -0.0000000001 0.000000786 0.000000295 0.000000000 0.000000000 28477988 0
11 10 0 -4559.0305584720 0.0000000000 0.000000325 0.000000083 0.000000000 0.000000000 28212294 0
12 11 0 -4559.0305584720 0.0000000000 0.000000051 0.000000022 0.000000000 0.000000000 27964283 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 -4559.0305584720 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.63 TOTAL CPU TIME= 1142.1 ( 19.0 MIN)
TOTAL WALL CLOCK TIME= 1080.1 SECONDS, CPU UTILIZATION IS 105.73%
RHF RI MP2 ENERGY
ESCF= -4559.0305584720
E(2)= -7.6689386022
E(MP2)= -4566.6994970742
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-4.017262 7.485318 -7.313632 11.209710
iFrag= 35 jFrag= 15 EFMOc= -4566.699497074
iFrag= 35 jFrag= 15 EFMOu= -4559.030558472 Tr= 0.000395130
--------------------------------------
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 = -0.0001797566
--------------------------------------
FINAL EFP ENERGY = -0.0001797566
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
0.475555 -1.852263 -0.316523 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.148142 3.183419 -4.740851 5.712423
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.693019 12.693012 -0.101654 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.983693 5.031866 -3.900299 10.211335
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
1.084287 5.420374 -0.209088 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.835551 8.215284 -8.641150 14.267314
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 71 20 corr= MP2 , LL1= 780 ID= 2434
-----------------------
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 71 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 -4559.0138719798 -4559.0138719798 0.063986441 0.000000000 0.000000000 1.000000000 24164272 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0156781064 -0.0018061265 0.015258581 0.003988924 0.000000000 0.000000000 24163656 0
3 2 0 -4559.0158989315 -0.0002208251 0.006733627 0.001132488 0.000000000 0.000000000 24159289 0
4 3 0 -4559.0159210544 -0.0000221229 0.000683114 0.000440327 0.000000000 0.000000000 24150553 0
5 4 0 -4559.0159236132 -0.0000025588 0.000275695 0.000138569 0.000000000 0.000000000 23960713 0
6 5 0 -4559.0159237987 -0.0000001855 0.000115531 0.000039703 0.000000000 0.000000000 23848806 0
7 6 0 -4559.0159238247 -0.0000000260 0.000015775 0.000005970 0.000000000 0.000000000 23725865 0
8 7 0 -4559.0159238255 -0.0000000008 0.000008275 0.000003247 0.000000000 0.000000000 23275794 0
9 8 0 -4559.0159238257 -0.0000000002 0.000001285 0.000000827 0.000000000 0.000000000 23140397 0
10 9 0 -4559.0159238257 -0.0000000000 0.000000191 0.000000104 0.000000000 0.000000000 22735947 0
11 10 0 -4559.0159238258 -0.0000000000 0.000000103 0.000000030 0.000000000 0.000000000 22454361 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 -4559.0159238258 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.54 TOTAL CPU TIME= 1159.6 ( 19.3 MIN)
TOTAL WALL CLOCK TIME= 1091.8 SECONDS, CPU UTILIZATION IS 106.21%
RHF RI MP2 ENERGY
ESCF= -4559.0159238258
E(2)= -7.6688479167
E(MP2)= -4566.6847717425
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.725661 8.246486 -8.719474 14.273037
iFrag= 71 jFrag= 20 EFMOc= -4566.684771742
iFrag= 71 jFrag= 20 EFMOu= -4559.015923826 Tr= 0.000179757
--------------------------------------
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 = -0.0006180194
--------------------------------------
FINAL EFP ENERGY = -0.0006180194
----------------------------------------
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)
7.503381 3.558194 10.395791 13.305411
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
3.287386 4.604838 7.368245 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.535738 -9.598582 -0.088015 11.080836
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
5.240119 0.922349 2.718369 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
13.039119 -6.040388 10.307777 17.684885
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 141 24 corr= MP2 , LL1= 780 ID= 2558
-----------------------
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 24 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 -4559.1236296850 -4559.1236296850 0.077397184 0.000000000 0.000000000 1.000000000 29481051 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0250078129 0.0986218721 0.015330785 0.005243333 0.000000000 0.000000000 29480748 0
3 2 0 -4559.0259231975 -0.0009153846 0.007447322 0.001596030 0.000000000 0.000000000 29474045 0
4 3 0 -4559.0260417053 -0.0001185078 0.001597606 0.000653313 0.000000000 0.000000000 29461949 0
5 4 0 -4559.0260509918 -0.0000092865 0.000352064 0.000229720 0.000000000 0.000000000 29360430 0
6 5 0 -4559.0260520735 -0.0000010817 0.000170151 0.000051704 0.000000000 0.000000000 29133116 0
7 6 0 -4559.0260521803 -0.0000001068 0.000043817 0.000011831 0.000000000 0.000000000 29004175 0
8 7 0 -4559.0260521847 -0.0000000044 0.000019637 0.000004351 0.000000000 0.000000000 28696932 0
9 8 0 -4559.0260521854 -0.0000000007 0.000003866 0.000002794 0.000000000 0.000000000 28541689 0
10 9 0 -4559.0260521854 -0.0000000001 0.000000521 0.000000369 0.000000000 0.000000000 28090186 0
11 10 0 -4559.0260521854 0.0000000000 0.000000384 0.000000129 0.000000000 0.000000000 27588890 0
12 11 0 -4559.0260521854 0.0000000000 0.000000082 0.000000029 0.000000000 0.000000000 27485061 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 -4559.0260521854 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 18.01 TOTAL CPU TIME= 1177.6 ( 19.6 MIN)
TOTAL WALL CLOCK TIME= 1104.2 SECONDS, CPU UTILIZATION IS 106.64%
RHF RI MP2 ENERGY
ESCF= -4559.0260521854
E(2)= -7.6693559298
E(MP2)= -4566.6954081152
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
12.806117 -5.866959 10.031289 17.292906
iFrag= 141 jFrag= 24 EFMOc= -4566.695408115
iFrag= 141 jFrag= 24 EFMOu= -4559.026052185 Tr= 0.000618019
--------------------------------------
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 = -0.0003198927
--------------------------------------
FINAL EFP ENERGY = -0.0003198927
----------------------------------------
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)
1.234274 -1.146612 12.515237 12.628116
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
5.263374 4.332527 -1.040724 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
8.499441 2.670771 2.103965 9.154244
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
5.449308 3.699255 -3.183397 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.733715 1.524159 14.619202 17.629218
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 152 114 corr= MP2 , LL1= 780 ID= 2685
-----------------------
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 152 114 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 -4559.0902456313 -4559.0902456313 0.103156837 0.000000000 0.000000000 1.000000000 24647303 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0288815857 0.0613640455 0.015321870 0.004637890 0.000000000 0.000000000 24647146 0
3 2 0 -4559.0293046025 -0.0004230168 0.007242376 0.001329611 0.000000000 0.000000000 24642475 0
4 3 0 -4559.0293566575 -0.0000520550 0.000894629 0.000464455 0.000000000 0.000000000 24633994 0
5 4 0 -4559.0293605779 -0.0000039204 0.000331168 0.000159831 0.000000000 0.000000000 24463749 0
6 5 0 -4559.0293611115 -0.0000005336 0.000176438 0.000037807 0.000000000 0.000000000 24289975 0
7 6 0 -4559.0293611673 -0.0000000558 0.000032918 0.000009883 0.000000000 0.000000000 24163808 0
8 7 0 -4559.0293611698 -0.0000000026 0.000013679 0.000003448 0.000000000 0.000000000 23808907 0
9 8 0 -4559.0293611701 -0.0000000003 0.000003474 0.000002212 0.000000000 0.000000000 23614035 0
10 9 0 -4559.0293611702 -0.0000000000 0.000000579 0.000000285 0.000000000 0.000000000 23373829 0
11 10 0 -4559.0293611702 -0.0000000000 0.000000465 0.000000072 0.000000000 0.000000000 22987679 0
12 11 0 -4559.0293611702 0.0000000000 0.000000102 0.000000017 0.000000000 0.000000000 22949969 0
13 12 0 -4559.0293611702 -0.0000000000 0.000000000 0.000000006 0.000000000 0.000000000 22627162 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= 0.7 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0293611702 AFTER 13 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 18.08 TOTAL CPU TIME= 1195.7 ( 19.9 MIN)
TOTAL WALL CLOCK TIME= 1116.3 SECONDS, CPU UTILIZATION IS 107.11%
RHF RI MP2 ENERGY
ESCF= -4559.0293611702
E(2)= -7.6661924186
E(MP2)= -4566.6955535888
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.596462 1.402455 14.631280 17.553727
iFrag= 152 jFrag= 114 EFMOc= -4566.695553589
iFrag= 152 jFrag= 114 EFMOu= -4559.029361170 Tr= 0.000319893
--------------------------------------
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 = -0.0007570160
--------------------------------------
FINAL EFP ENERGY = -0.0007570160
----------------------------------------
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)
1.703569 3.590668 2.175075 4.530563
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.308744 4.843723 -9.490749 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.504056 -12.545828 -5.013126 14.994399
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.912110 3.549431 -5.365317 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
8.207625 -8.955160 -2.838051 12.474555
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 107 40 corr= MP2 , LL1= 780 ID= 2815
-----------------------
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 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 -4559.0744659959 -4559.0744659959 0.104133487 0.000000000 0.000000000 1.000000000 31137785 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4558.9994150744 0.0750509215 0.008251910 0.005301774 0.000000000 0.000000000 31137582 0
3 2 0 -4559.0000003438 -0.0005852694 0.003885741 0.001480337 0.000000000 0.000000000 31118864 0
4 3 0 -4559.0000623994 -0.0000620556 0.001138577 0.000832201 0.000000000 0.000000000 31081487 0
5 4 0 -4559.0000702186 -0.0000078192 0.000219355 0.000168748 0.000000000 0.000000000 30921374 0
6 5 0 -4559.0000706020 -0.0000003834 0.000124718 0.000051594 0.000000000 0.000000000 30510199 0
7 6 0 -4559.0000706562 -0.0000000542 0.000016334 0.000008038 0.000000000 0.000000000 30321919 0
8 7 0 -4559.0000706576 -0.0000000014 0.000008081 0.000002853 0.000000000 0.000000000 29760396 0
9 8 0 -4559.0000706579 -0.0000000002 0.000001756 0.000001072 0.000000000 0.000000000 29619031 0
10 9 0 -4559.0000706580 -0.0000000001 0.000000455 0.000000251 0.000000000 0.000000000 29071187 0
11 10 0 -4559.0000706579 0.0000000000 0.000000224 0.000000056 0.000000000 0.000000000 28536984 0
12 11 0 -4559.0000706579 -0.0000000000 0.000000058 0.000000021 0.000000000 0.000000000 28269624 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 -4559.0000706579 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.97 TOTAL CPU TIME= 1213.7 ( 20.2 MIN)
TOTAL WALL CLOCK TIME= 1128.5 SECONDS, CPU UTILIZATION IS 107.54%
RHF RI MP2 ENERGY
ESCF= -4559.0000706579
E(2)= -7.6697316106
E(MP2)= -4566.6698022685
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.945771 -8.769180 -2.854790 12.173070
iFrag= 107 jFrag= 40 EFMOc= -4566.669802269
iFrag= 107 jFrag= 40 EFMOu= -4559.000070658 Tr= 0.000757016
--------------------------------------
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 = -0.0003130874
--------------------------------------
FINAL EFP ENERGY = -0.0003130874
----------------------------------------
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)
2.778779 -7.534590 13.467070 15.679720
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
5.512111 3.331625 -7.121855 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
18.914618 -5.821706 4.107965 20.212135
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
4.197035 -1.054596 -4.554806 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
21.693397 -13.356296 17.575034 30.949571
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 149 139 corr= MP2 , LL1= 780 ID= 2942
-----------------------
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 149 139 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 -4559.0599261768 -4559.0599261768 0.047416837 0.000000000 0.000000000 1.000000000 24500529 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0547491902 0.0051769866 0.012277730 0.003431039 0.000000000 0.000000000 24499799 0
3 2 0 -4559.0551028106 -0.0003536205 0.005230392 0.001181490 0.000000000 0.000000000 24494972 0
4 3 0 -4559.0551450565 -0.0000422459 0.000893437 0.000436905 0.000000000 0.000000000 24482127 0
5 4 0 -4559.0551486997 -0.0000036432 0.000306878 0.000114307 0.000000000 0.000000000 24332060 0
6 5 0 -4559.0551490104 -0.0000003107 0.000089170 0.000027900 0.000000000 0.000000000 24169284 0
7 6 0 -4559.0551490399 -0.0000000295 0.000018772 0.000007832 0.000000000 0.000000000 23861456 0
8 7 0 -4559.0551490412 -0.0000000013 0.000008556 0.000002654 0.000000000 0.000000000 23536914 0
9 8 0 -4559.0551490415 -0.0000000002 0.000002056 0.000001086 0.000000000 0.000000000 23423759 0
10 9 0 -4559.0551490415 -0.0000000000 0.000000527 0.000000214 0.000000000 0.000000000 23123723 0
11 10 0 -4559.0551490415 -0.0000000000 0.000000153 0.000000057 0.000000000 0.000000000 22877610 0
12 11 0 -4559.0551490415 -0.0000000000 0.000000027 0.000000012 0.000000000 0.000000000 22629481 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 -4559.0551490415 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.80 TOTAL CPU TIME= 1231.5 ( 20.5 MIN)
TOTAL WALL CLOCK TIME= 1140.4 SECONDS, CPU UTILIZATION IS 107.98%
RHF RI MP2 ENERGY
ESCF= -4559.0551490415
E(2)= -7.6657993921
E(MP2)= -4566.7209484337
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
21.602693 -13.346587 17.414373 30.790715
iFrag= 149 jFrag= 139 EFMOc= -4566.720948434
iFrag= 149 jFrag= 139 EFMOu= -4559.055149042 Tr= 0.000313087
--------------------------------------
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 = -0.0002365631
--------------------------------------
FINAL EFP ENERGY = -0.0002365631
----------------------------------------
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)
2.402377 1.357808 7.653827 8.136100
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-2.056000 5.312591 -1.397214 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.808830 3.092081 11.551368 12.283509
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.626381 -0.524966 3.562957 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.406453 4.449889 19.205195 19.718170
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 56 50 corr= MP2 , LL1= 780 ID= 3069
-----------------------
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 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 -4559.0630610519 -4559.0630610519 0.033524171 0.000000000 0.000000000 1.000000000 23196471 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0587495272 0.0043115247 0.009279974 0.003439871 0.000000000 0.000000000 23194760 0
3 2 0 -4559.0589294682 -0.0001799411 0.004714686 0.001202909 0.000000000 0.000000000 23188047 0
4 3 0 -4559.0589553618 -0.0000258936 0.000726995 0.000455629 0.000000000 0.000000000 23172846 0
5 4 0 -4559.0589576069 -0.0000022451 0.000210234 0.000083398 0.000000000 0.000000000 23005292 0
6 5 0 -4559.0589576958 -0.0000000889 0.000068499 0.000017668 0.000000000 0.000000000 22827565 0
7 6 0 -4559.0589577044 -0.0000000086 0.000010084 0.000004245 0.000000000 0.000000000 22652193 0
8 7 0 -4559.0589577048 -0.0000000004 0.000006038 0.000001532 0.000000000 0.000000000 22260492 0
9 8 0 -4559.0589577049 -0.0000000001 0.000001074 0.000000557 0.000000000 0.000000000 22149717 0
10 9 0 -4559.0589577049 -0.0000000000 0.000000320 0.000000207 0.000000000 0.000000000 21840842 0
11 10 0 -4559.0589577049 0.0000000000 0.000000087 0.000000042 0.000000000 0.000000000 21539175 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 -4559.0589577049 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.50 TOTAL CPU TIME= 1249.0 ( 20.8 MIN)
TOTAL WALL CLOCK TIME= 1152.1 SECONDS, CPU UTILIZATION IS 108.41%
RHF RI MP2 ENERGY
ESCF= -4559.0589577049
E(2)= -7.6647193417
E(MP2)= -4566.7236770466
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.547607 4.361353 19.110835 19.609826
iFrag= 56 jFrag= 50 EFMOc= -4566.723677047
iFrag= 56 jFrag= 50 EFMOu= -4559.058957705 Tr= 0.000236563
--------------------------------------
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 = -0.0003436880
--------------------------------------
FINAL EFP ENERGY = -0.0003436880
----------------------------------------
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)
1.964458 3.752985 -0.606917 4.279292
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
4.227568 -3.127243 -6.925006 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.562538 -8.569499 5.755030 10.920090
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
6.176706 -4.502074 -6.931640 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.598080 -4.816515 5.148113 7.228813
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 81 35 corr= MP2 , LL1= 780 ID= 3194
-----------------------
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 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 -4559.1008971177 -4559.1008971177 0.102690769 0.000000000 0.000000000 1.000000000 26461975 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0331807156 0.0677164021 0.009334057 0.004076362 0.000000000 0.000000000 26461807 0
3 2 0 -4559.0335222714 -0.0003415558 0.003805802 0.001124038 0.000000000 0.000000000 26448173 0
4 3 0 -4559.0335543529 -0.0000320815 0.000888401 0.000687406 0.000000000 0.000000000 26412555 0
5 4 0 -4559.0335587558 -0.0000044029 0.000210437 0.000096975 0.000000000 0.000000000 26231060 0
6 5 0 -4559.0335590123 -0.0000002565 0.000147338 0.000036824 0.000000000 0.000000000 25914185 0
7 6 0 -4559.0335590523 -0.0000000400 0.000015036 0.000008792 0.000000000 0.000000000 25831415 0
8 7 0 -4559.0335590530 -0.0000000007 0.000008158 0.000002477 0.000000000 0.000000000 25330331 0
9 8 0 -4559.0335590531 -0.0000000001 0.000001586 0.000000878 0.000000000 0.000000000 25207113 0
10 9 0 -4559.0335590532 -0.0000000000 0.000000456 0.000000271 0.000000000 0.000000000 24763648 0
11 10 0 -4559.0335590532 -0.0000000000 0.000000149 0.000000050 0.000000000 0.000000000 24496038 0
12 11 0 -4559.0335590531 0.0000000000 0.000000034 0.000000015 0.000000000 0.000000000 24269305 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 -4559.0335590531 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.83 TOTAL CPU TIME= 1266.8 ( 21.1 MIN)
TOTAL WALL CLOCK TIME= 1164.1 SECONDS, CPU UTILIZATION IS 108.82%
RHF RI MP2 ENERGY
ESCF= -4559.0335590531
E(2)= -7.6674197910
E(MP2)= -4566.7009788441
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.584146 -4.797476 4.983600 7.096588
iFrag= 81 jFrag= 35 EFMOc= -4566.700978844
iFrag= 81 jFrag= 35 EFMOu= -4559.033559053 Tr= 0.000343688
--------------------------------------
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 = -0.0006072750
--------------------------------------
FINAL EFP ENERGY = -0.0006072750
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-3.588109 -2.358332 -4.703904 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-4.311760 -0.408085 0.299599 4.341379
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
5.322898 10.514235 -4.794131 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.311286 1.427998 -4.170618 5.513424
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.867394 4.077952 -4.749017 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-7.623046 1.019913 -3.871019 8.610217
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 42 10 corr= MP2 , LL1= 780 ID= 3322
-----------------------
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 42 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 -4559.1053509275 -4559.1053509275 0.106891772 0.000000000 0.000000000 1.000000000 29193300 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4558.9923437085 0.1130072191 0.010566911 0.007231036 0.000000000 0.000000000 29193136 0
3 2 0 -4558.9929189636 -0.0005752552 0.003607976 0.001825718 0.000000000 0.000000000 29185088 0
4 3 0 -4558.9929841827 -0.0000652190 0.001122028 0.000904515 0.000000000 0.000000000 29159643 0
5 4 0 -4558.9929925738 -0.0000083911 0.000319241 0.000160352 0.000000000 0.000000000 29050551 0
6 5 0 -4558.9929931630 -0.0000005892 0.000192332 0.000052791 0.000000000 0.000000000 28865236 0
7 6 0 -4558.9929932481 -0.0000000851 0.000026434 0.000014621 0.000000000 0.000000000 28788423 0
8 7 0 -4558.9929932505 -0.0000000024 0.000008430 0.000003049 0.000000000 0.000000000 28416632 0
9 8 0 -4558.9929932507 -0.0000000003 0.000002278 0.000001275 0.000000000 0.000000000 28153275 0
10 9 0 -4558.9929932508 -0.0000000001 0.000000671 0.000000439 0.000000000 0.000000000 27877883 0
11 10 0 -4558.9929932508 -0.0000000000 0.000000251 0.000000104 0.000000000 0.000000000 27620303 0
12 11 0 -4558.9929932508 0.0000000000 0.000000039 0.000000024 0.000000000 0.000000000 27403322 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 -4558.9929932508 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.47 TOTAL CPU TIME= 1284.3 ( 21.4 MIN)
TOTAL WALL CLOCK TIME= 1176.0 SECONDS, CPU UTILIZATION IS 109.21%
RHF RI MP2 ENERGY
ESCF= -4558.9929932508
E(2)= -7.6708932938
E(MP2)= -4566.6638865446
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-7.599710 1.028596 -4.024973 8.661063
iFrag= 42 jFrag= 10 EFMOc= -4566.663886545
iFrag= 42 jFrag= 10 EFMOu= -4558.992993251 Tr= 0.000607275
--------------------------------------
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 = -0.0001229201
--------------------------------------
FINAL EFP ENERGY = -0.0001229201
----------------------------------------
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)
-1.085473 -1.153517 -5.988011 6.193959
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
5.322898 10.514235 -4.794131 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.393121 1.476768 -4.250234 5.635477
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
3.472295 4.643352 -4.232287 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-4.478595 0.323251 -10.238245 11.179623
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 142 10 corr= MP2 , LL1= 780 ID= 3452
-----------------------
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 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 -4559.0588840760 -4559.0588840760 0.046281570 0.000000000 0.000000000 1.000000000 28977072 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0598696135 -0.0009855374 0.009873789 0.001879072 0.000000000 0.000000000 28975972 0
3 2 0 -4559.0599523369 -0.0000827234 0.003759646 0.000554098 0.000000000 0.000000000 28969198 0
4 3 0 -4559.0599597846 -0.0000074477 0.000432797 0.000241259 0.000000000 0.000000000 28949285 0
5 4 0 -4559.0599607378 -0.0000009532 0.000219773 0.000062701 0.000000000 0.000000000 28723724 0
6 5 0 -4559.0599608191 -0.0000000813 0.000106516 0.000018599 0.000000000 0.000000000 28619528 0
7 6 0 -4559.0599608314 -0.0000000123 0.000005908 0.000002558 0.000000000 0.000000000 28516080 0
8 7 0 -4559.0599608316 -0.0000000003 0.000003333 0.000001311 0.000000000 0.000000000 27929530 0
9 8 0 -4559.0599608317 -0.0000000001 0.000000685 0.000000511 0.000000000 0.000000000 27812872 0
10 9 0 -4559.0599608317 0.0000000000 0.000000162 0.000000097 0.000000000 0.000000000 27484507 0
11 10 0 -4559.0599608317 -0.0000000000 0.000000080 0.000000024 0.000000000 0.000000000 27093678 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 -4559.0599608317 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.66 TOTAL CPU TIME= 1301.9 ( 21.7 MIN)
TOTAL WALL CLOCK TIME= 1188.0 SECONDS, CPU UTILIZATION IS 109.59%
RHF RI MP2 ENERGY
ESCF= -4559.0599608317
E(2)= -7.6680164405
E(MP2)= -4566.7279772722
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-4.464200 0.274279 -10.291271 11.221166
iFrag= 142 jFrag= 10 EFMOc= -4566.727977272
iFrag= 142 jFrag= 10 EFMOu= -4559.059960832 Tr= 0.000122920
--------------------------------------
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 = -0.0010651327
--------------------------------------
FINAL EFP ENERGY = -0.0010651327
----------------------------------------
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)
-7.408272 7.142764 12.628432 16.290453
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.697055 -0.959175 -2.153788 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.062378 -1.588863 16.202649 17.746197
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-0.056238 2.932166 -3.322116 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.345894 5.553901 28.831081 29.363186
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 73 45 corr= MP2 , LL1= 780 ID= 3577
-----------------------
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 73 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 -4559.1343571811 -4559.1343571811 0.072554999 0.000000000 0.000000000 1.000000000 30789343 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0304990952 0.1038580859 0.010833046 0.004044257 0.000000000 0.000000000 30788680 0
3 2 0 -4559.0314508800 -0.0009517848 0.006504215 0.001189854 0.000000000 0.000000000 30772890 0
4 3 0 -4559.0315856137 -0.0001347337 0.001308222 0.000669744 0.000000000 0.000000000 30753807 0
5 4 0 -4559.0315998205 -0.0000142067 0.000379918 0.000141685 0.000000000 0.000000000 30572548 0
6 5 0 -4559.0316008782 -0.0000010578 0.000191042 0.000038285 0.000000000 0.000000000 30296424 0
7 6 0 -4559.0316009952 -0.0000001170 0.000032130 0.000009777 0.000000000 0.000000000 30114935 0
8 7 0 -4559.0316010001 -0.0000000049 0.000009576 0.000004712 0.000000000 0.000000000 29627980 0
9 8 0 -4559.0316010010 -0.0000000009 0.000002647 0.000001073 0.000000000 0.000000000 29285247 0
10 9 0 -4559.0316010011 -0.0000000001 0.000000767 0.000000196 0.000000000 0.000000000 28907700 0
11 10 0 -4559.0316010011 0.0000000000 0.000000254 0.000000061 0.000000000 0.000000000 28489849 0
12 11 0 -4559.0316010011 -0.0000000000 0.000000059 0.000000028 0.000000000 0.000000000 28187993 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 -4559.0316010011 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.78 TOTAL CPU TIME= 1319.7 ( 22.0 MIN)
TOTAL WALL CLOCK TIME= 1199.8 SECONDS, CPU UTILIZATION IS 109.99%
RHF RI MP2 ENERGY
ESCF= -4559.0316010011
E(2)= -7.6684735455
E(MP2)= -4566.7000745466
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.219861 5.820020 28.814747 29.397459
iFrag= 73 jFrag= 45 EFMOc= -4566.700074547
iFrag= 73 jFrag= 45 EFMOu= -4559.031601001 Tr= 0.001065133
--------------------------------------
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 = -0.0002661388
--------------------------------------
FINAL EFP ENERGY = -0.0002661388
----------------------------------------
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)
9.702019 -2.945584 8.076476 12.962835
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
3.287386 4.604838 7.368245 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.588267 -9.634803 0.027140 11.138173
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
6.938441 5.704690 1.823511 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
15.290286 -12.580387 8.103616 21.394568
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 62 24 corr= MP2 , LL1= 780 ID= 3707
-----------------------
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 24 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 -4559.0191178752 -4559.0191178752 0.049949966 0.000000000 0.000000000 1.000000000 31938485 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0088682545 0.0102496207 0.012090141 0.003424279 0.000000000 0.000000000 31937352 0
3 2 0 -4559.0090723071 -0.0002040525 0.005027797 0.000978852 0.000000000 0.000000000 31926333 0
4 3 0 -4559.0090966375 -0.0000243305 0.000433918 0.000277634 0.000000000 0.000000000 31899999 0
5 4 0 -4559.0090978920 -0.0000012544 0.000263944 0.000113987 0.000000000 0.000000000 31508423 0
6 5 0 -4559.0090981569 -0.0000002650 0.000085083 0.000022406 0.000000000 0.000000000 31361582 0
7 6 0 -4559.0090981767 -0.0000000198 0.000021125 0.000005372 0.000000000 0.000000000 31065814 0
8 7 0 -4559.0090981776 -0.0000000009 0.000008204 0.000003259 0.000000000 0.000000000 30657520 0
9 8 0 -4559.0090981778 -0.0000000001 0.000000777 0.000000509 0.000000000 0.000000000 30286478 0
10 9 0 -4559.0090981777 0.0000000000 0.000000241 0.000000208 0.000000000 0.000000000 29555316 0
11 10 0 -4559.0090981778 -0.0000000000 0.000000124 0.000000033 0.000000000 0.000000000 29181502 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 -4559.0090981778 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.74 TOTAL CPU TIME= 1337.4 ( 22.3 MIN)
TOTAL WALL CLOCK TIME= 1211.8 SECONDS, CPU UTILIZATION IS 110.37%
RHF RI MP2 ENERGY
ESCF= -4559.0090981778
E(2)= -7.6682406384
E(MP2)= -4566.6773388162
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
15.388292 -12.516108 8.230343 21.475359
iFrag= 62 jFrag= 24 EFMOc= -4566.677338816
iFrag= 62 jFrag= 24 EFMOu= -4559.009098178 Tr= 0.000266139
--------------------------------------
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 = -0.0002217603
--------------------------------------
FINAL EFP ENERGY = -0.0002217603
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
1.656552 6.208680 -1.339720 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.221728 3.250990 -20.720156 21.613890
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
5.879857 -4.388378 -3.818193 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.536011 -1.773431 -5.811110 7.029753
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
3.768205 0.910151 -2.578957 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.685716 1.477559 -26.531266 26.625794
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 63 26 corr= MP2 , LL1= 780 ID= 3834
-----------------------
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 63 26 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 -4559.0681602730 -4559.0681602730 0.071289802 0.000000000 0.000000000 1.000000000 26249096 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4558.9890237796 0.0791364934 0.007500350 0.004731709 0.000000000 0.000000000 26248711 0
3 2 0 -4558.9893343669 -0.0003105874 0.002503110 0.001275722 0.000000000 0.000000000 26236612 0
4 3 0 -4558.9893673484 -0.0000329814 0.000533656 0.000266494 0.000000000 0.000000000 26189127 0
5 4 0 -4558.9893686268 -0.0000012784 0.000264995 0.000139713 0.000000000 0.000000000 26021075 0
6 5 0 -4558.9893689372 -0.0000003105 0.000102938 0.000036929 0.000000000 0.000000000 25937016 0
7 6 0 -4558.9893689612 -0.0000000240 0.000021242 0.000008886 0.000000000 0.000000000 25704291 0
8 7 0 -4558.9893689626 -0.0000000014 0.000004611 0.000001573 0.000000000 0.000000000 25330813 0
9 8 0 -4558.9893689627 -0.0000000001 0.000001190 0.000000473 0.000000000 0.000000000 24937727 0
10 9 0 -4558.9893689627 0.0000000000 0.000000367 0.000000272 0.000000000 0.000000000 24683585 0
11 10 0 -4558.9893689627 -0.0000000000 0.000000184 0.000000066 0.000000000 0.000000000 24459625 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 -4558.9893689627 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.63 TOTAL CPU TIME= 1355.1 ( 22.6 MIN)
TOTAL WALL CLOCK TIME= 1223.6 SECONDS, CPU UTILIZATION IS 110.74%
RHF RI MP2 ENERGY
ESCF= -4558.9893689627
E(2)= -7.6664989131
E(MP2)= -4566.6558678759
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.699389 1.496817 -26.554246 26.650635
iFrag= 63 jFrag= 26 EFMOc= -4566.655867876
iFrag= 63 jFrag= 26 EFMOu= -4558.989368963 Tr= 0.000221760
--------------------------------------
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 = -0.0004852917
--------------------------------------
FINAL EFP ENERGY = -0.0004852917
----------------------------------------
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)
-10.819773 -1.986313 15.618098 19.103348
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
3.340083 2.366448 -0.459878 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.210634 0.310313 6.167901 6.179293
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.947118 2.230732 -0.859971 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-10.609139 -1.676000 21.785998 24.289762
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 90 46 corr= MP2 , LL1= 780 ID= 3961
-----------------------
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 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 -4559.0584045475 -4559.0584045475 0.061741038 0.000000000 0.000000000 1.000000000 28201315 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0373464615 0.0210580859 0.010546685 0.003000178 0.000000000 0.000000000 28200776 0
3 2 0 -4559.0376840075 -0.0003375459 0.004357176 0.001188256 0.000000000 0.000000000 28193086 0
4 3 0 -4559.0377253098 -0.0000413023 0.000631478 0.000379330 0.000000000 0.000000000 28175731 0
5 4 0 -4559.0377294028 -0.0000040930 0.000341488 0.000121916 0.000000000 0.000000000 28011546 0
6 5 0 -4559.0377298367 -0.0000004338 0.000153864 0.000036217 0.000000000 0.000000000 27880401 0
7 6 0 -4559.0377298866 -0.0000000499 0.000024449 0.000007076 0.000000000 0.000000000 27705249 0
8 7 0 -4559.0377298880 -0.0000000015 0.000009919 0.000002374 0.000000000 0.000000000 27276490 0
9 8 0 -4559.0377298883 -0.0000000002 0.000001708 0.000001096 0.000000000 0.000000000 27012122 0
10 9 0 -4559.0377298883 -0.0000000000 0.000000446 0.000000140 0.000000000 0.000000000 26605374 0
11 10 0 -4559.0377298883 0.0000000000 0.000000291 0.000000053 0.000000000 0.000000000 26165367 0
12 11 0 -4559.0377298883 -0.0000000000 0.000000036 0.000000011 0.000000000 0.000000000 26097716 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 -4559.0377298883 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.81 TOTAL CPU TIME= 1372.9 ( 22.9 MIN)
TOTAL WALL CLOCK TIME= 1235.6 SECONDS, CPU UTILIZATION IS 111.11%
RHF RI MP2 ENERGY
ESCF= -4559.0377298883
E(2)= -7.6673923505
E(MP2)= -4566.7051222388
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-10.676901 -1.744275 22.016489 24.530888
iFrag= 90 jFrag= 46 EFMOc= -4566.705122239
iFrag= 90 jFrag= 46 EFMOu= -4559.037729888 Tr= 0.000485292
--------------------------------------
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 = -0.0003986254
--------------------------------------
FINAL EFP ENERGY = -0.0003986254
----------------------------------------
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)
3.539682 -7.727946 -1.058194 8.565645
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
2.030975 -0.997623 4.857671 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
14.644928 10.153676 11.887396 21.421514
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
1.040885 2.002869 5.593829 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
18.184611 2.425730 10.829203 21.303424
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 91 88 corr= MP2 , LL1= 780 ID= 4092
-----------------------
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 88 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 -4559.0614852986 -4559.0614852986 0.032704127 0.000000000 0.000000000 1.000000000 23843349 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0549950792 0.0064902195 0.007671573 0.002392658 0.000000000 0.000000000 23842260 0
3 2 0 -4559.0552224788 -0.0002273996 0.003474074 0.000776055 0.000000000 0.000000000 23835382 0
4 3 0 -4559.0552519501 -0.0000294713 0.000739416 0.000385123 0.000000000 0.000000000 23813754 0
5 4 0 -4559.0552542767 -0.0000023266 0.000195022 0.000116926 0.000000000 0.000000000 23709107 0
6 5 0 -4559.0552544785 -0.0000002018 0.000059854 0.000026941 0.000000000 0.000000000 23531710 0
7 6 0 -4559.0552544981 -0.0000000196 0.000018014 0.000005583 0.000000000 0.000000000 23318579 0
8 7 0 -4559.0552544990 -0.0000000009 0.000006118 0.000001898 0.000000000 0.000000000 23146263 0
9 8 0 -4559.0552544992 -0.0000000001 0.000001220 0.000000525 0.000000000 0.000000000 23002638 0
10 9 0 -4559.0552544992 0.0000000000 0.000000454 0.000000415 0.000000000 0.000000000 22752578 0
11 10 0 -4559.0552544991 0.0000000000 0.000000090 0.000000043 0.000000000 0.000000000 22526739 0
12 11 0 -4559.0552544992 -0.0000000000 0.000000034 0.000000013 0.000000000 0.000000000 22260323 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 -4559.0552544992 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.80 TOTAL CPU TIME= 1390.7 ( 23.2 MIN)
TOTAL WALL CLOCK TIME= 1247.7 SECONDS, CPU UTILIZATION IS 111.46%
RHF RI MP2 ENERGY
ESCF= -4559.0552544992
E(2)= -7.6662180771
E(MP2)= -4566.7214725762
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
18.208533 2.371832 10.999448 21.404769
iFrag= 91 jFrag= 88 EFMOc= -4566.721472576
iFrag= 91 jFrag= 88 EFMOu= -4559.055254499 Tr= 0.000398625
--------------------------------------
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 = -0.0004095017
--------------------------------------
FINAL EFP ENERGY = -0.0004095017
----------------------------------------
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)
1.069698 -10.954197 -6.081364 12.574644
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
0.749846 3.382504 -4.425236 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.836434 -2.434188 -15.215364 17.287055
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
3.123596 -0.106054 -5.357624 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
8.906133 -13.388385 -21.296727 26.685551
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 131 61 corr= MP2 , LL1= 780 ID= 4222
-----------------------
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 61 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 -4559.0529232491 -4559.0529232491 0.055778430 0.000000000 0.000000000 1.000000000 24540843 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0282506523 0.0246725968 0.006147527 0.002460753 0.000000000 0.000000000 24540184 0
3 2 0 -4559.0284594598 -0.0002088075 0.003285197 0.001098766 0.000000000 0.000000000 24519563 0
4 3 0 -4559.0284857549 -0.0000262951 0.000649107 0.000459278 0.000000000 0.000000000 24491288 0
5 4 0 -4559.0284886347 -0.0000028798 0.000148625 0.000106504 0.000000000 0.000000000 24242720 0
6 5 0 -4559.0284887896 -0.0000001548 0.000072593 0.000027347 0.000000000 0.000000000 23970998 0
7 6 0 -4559.0284888070 -0.0000000174 0.000009146 0.000004432 0.000000000 0.000000000 23838212 0
8 7 0 -4559.0284888075 -0.0000000005 0.000003815 0.000001261 0.000000000 0.000000000 23335543 0
9 8 0 -4559.0284888075 -0.0000000001 0.000000622 0.000000364 0.000000000 0.000000000 23162392 0
10 9 0 -4559.0284888075 0.0000000000 0.000000236 0.000000156 0.000000000 0.000000000 22737190 0
11 10 0 -4559.0284888075 0.0000000000 0.000000102 0.000000029 0.000000000 0.000000000 22513357 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 -4559.0284888075 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.14 TOTAL CPU TIME= 1407.8 ( 23.5 MIN)
TOTAL WALL CLOCK TIME= 1259.4 SECONDS, CPU UTILIZATION IS 111.79%
RHF RI MP2 ENERGY
ESCF= -4559.0284888075
E(2)= -7.6656645214
E(MP2)= -4566.6941533289
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
8.943953 -13.495037 -21.480774 26.898587
iFrag= 131 jFrag= 61 EFMOc= -4566.694153329
iFrag= 131 jFrag= 61 EFMOu= -4559.028488808 Tr= 0.000409502
--------------------------------------
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 = -0.0002293292
--------------------------------------
FINAL EFP ENERGY = -0.0002293292
----------------------------------------
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)
0.393547 -7.700972 0.393658 7.721064
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
5.705433 2.746563 -0.835380 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
17.310563 -5.131080 14.836790 23.369080
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.212090 1.250580 -1.971493 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
17.704110 -12.832053 15.230448 26.647019
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 157 122 corr= MP2 , LL1= 780 ID= 4350
-----------------------
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 157 122 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 -4559.0560611855 -4559.0560611855 0.048618858 0.000000000 0.000000000 1.000000000 23710384 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0562173480 -0.0001561624 0.011200791 0.002914134 0.000000000 0.000000000 23709652 0
3 2 0 -4559.0564279258 -0.0002105779 0.004554312 0.000737501 0.000000000 0.000000000 23703574 0
4 3 0 -4559.0564512920 -0.0000233662 0.000649224 0.000416698 0.000000000 0.000000000 23685349 0
5 4 0 -4559.0564531376 -0.0000018456 0.000250222 0.000092496 0.000000000 0.000000000 23516709 0
6 5 0 -4559.0564532948 -0.0000001572 0.000061025 0.000018876 0.000000000 0.000000000 23365558 0
7 6 0 -4559.0564533094 -0.0000000146 0.000016531 0.000005226 0.000000000 0.000000000 23132775 0
8 7 0 -4559.0564533102 -0.0000000008 0.000005587 0.000001856 0.000000000 0.000000000 22962482 0
9 8 0 -4559.0564533103 -0.0000000001 0.000001377 0.000000794 0.000000000 0.000000000 22748394 0
10 9 0 -4559.0564533103 -0.0000000000 0.000000356 0.000000293 0.000000000 0.000000000 22428683 0
11 10 0 -4559.0564533103 0.0000000000 0.000000081 0.000000042 0.000000000 0.000000000 22110625 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 -4559.0564533103 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.58 TOTAL CPU TIME= 1425.4 ( 23.8 MIN)
TOTAL WALL CLOCK TIME= 1271.2 SECONDS, CPU UTILIZATION IS 112.13%
RHF RI MP2 ENERGY
ESCF= -4559.0564533103
E(2)= -7.6646469320
E(MP2)= -4566.7211002423
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
17.736236 -12.716186 15.286457 26.644910
iFrag= 157 jFrag= 122 EFMOc= -4566.721100242
iFrag= 157 jFrag= 122 EFMOu= -4559.056453310 Tr= 0.000229329
--------------------------------------
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 = -0.0006944977
--------------------------------------
FINAL EFP ENERGY = -0.0006944977
----------------------------------------
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)
0.377789 -7.726669 0.400857 7.746278
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
5.879857 -4.388378 -3.818193 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.579934 -1.668115 -5.899374 7.099377
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.299302 -2.316890 -3.462899 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.202145 -9.394784 -5.498518 11.346779
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 157 26 corr= MP2 , LL1= 780 ID= 4478
-----------------------
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 26 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 -4559.0775295730 -4559.0775295730 0.063937650 0.000000000 0.000000000 1.000000000 28509981 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0334424462 0.0440871268 0.016550574 0.004899020 0.000000000 0.000000000 28509497 0
3 2 0 -4559.0342438763 -0.0008014301 0.007851576 0.001767992 0.000000000 0.000000000 28505478 0
4 3 0 -4559.0343367816 -0.0000929053 0.000943264 0.000499171 0.000000000 0.000000000 28497591 0
5 4 0 -4559.0343440274 -0.0000072458 0.000336071 0.000177619 0.000000000 0.000000000 28369984 0
6 5 0 -4559.0343450050 -0.0000009776 0.000177185 0.000043799 0.000000000 0.000000000 28222999 0
7 6 0 -4559.0343451029 -0.0000000979 0.000036147 0.000008929 0.000000000 0.000000000 28120289 0
8 7 0 -4559.0343451066 -0.0000000037 0.000018867 0.000006966 0.000000000 0.000000000 27830843 0
9 8 0 -4559.0343451072 -0.0000000007 0.000002774 0.000001650 0.000000000 0.000000000 27684472 0
10 9 0 -4559.0343451073 -0.0000000000 0.000000443 0.000000236 0.000000000 0.000000000 27147977 0
11 10 0 -4559.0343451073 0.0000000000 0.000000289 0.000000067 0.000000000 0.000000000 26723386 0
12 11 0 -4559.0343451073 -0.0000000000 0.000000052 0.000000017 0.000000000 0.000000000 26629856 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 -4559.0343451073 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.93 TOTAL CPU TIME= 1443.3 ( 24.1 MIN)
TOTAL WALL CLOCK TIME= 1283.3 SECONDS, CPU UTILIZATION IS 112.47%
RHF RI MP2 ENERGY
ESCF= -4559.0343451073
E(2)= -7.6718564428
E(MP2)= -4566.7062015501
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.305852 -9.192854 -5.976842 11.452504
iFrag= 157 jFrag= 26 EFMOc= -4566.706201550
iFrag= 157 jFrag= 26 EFMOu= -4559.034345107 Tr= 0.000694498
--------------------------------------
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 = -0.0004287376
--------------------------------------
FINAL EFP ENERGY = -0.0004287376
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
0.355702 7.901425 2.242069 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-11.910108 -3.940026 -9.211162 15.563418
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.363860 -4.120802 -4.947462 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.498297 2.001096 -4.074473 5.730951
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-0.004079 1.890311 -1.352696 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-8.411811 -1.938930 -13.285635 15.843803
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 156 83 corr= MP2 , LL1= 780 ID= 4606
-----------------------
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 156 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 -4559.1048404436 -4559.1048404436 0.047893012 0.000000000 0.000000000 1.000000000 27442518 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0621192432 0.0427212004 0.006759950 0.003901892 0.000000000 0.000000000 27441515 0
3 2 0 -4559.0625532166 -0.0004339734 0.004417923 0.001553816 0.000000000 0.000000000 27427875 0
4 3 0 -4559.0626344181 -0.0000812016 0.000768621 0.000486695 0.000000000 0.000000000 27416867 0
5 4 0 -4559.0626396400 -0.0000052219 0.000283678 0.000098074 0.000000000 0.000000000 27233067 0
6 5 0 -4559.0626400841 -0.0000004441 0.000056314 0.000023887 0.000000000 0.000000000 27063701 0
7 6 0 -4559.0626400991 -0.0000000150 0.000021924 0.000006766 0.000000000 0.000000000 26777699 0
8 7 0 -4559.0626401006 -0.0000000016 0.000006224 0.000003422 0.000000000 0.000000000 26566813 0
9 8 0 -4559.0626401008 -0.0000000002 0.000001006 0.000000768 0.000000000 0.000000000 26269165 0
10 9 0 -4559.0626401008 0.0000000000 0.000000528 0.000000152 0.000000000 0.000000000 25806036 0
11 10 0 -4559.0626401008 0.0000000000 0.000000143 0.000000050 0.000000000 0.000000000 25685446 0
12 11 0 -4559.0626401008 -0.0000000000 0.000000032 0.000000019 0.000000000 0.000000000 25346420 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 -4559.0626401008 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.79 TOTAL CPU TIME= 1461.1 ( 24.4 MIN)
TOTAL WALL CLOCK TIME= 1295.3 SECONDS, CPU UTILIZATION IS 112.80%
RHF RI MP2 ENERGY
ESCF= -4559.0626401008
E(2)= -7.6649990742
E(MP2)= -4566.7276391750
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-8.285742 -2.084872 -13.641939 16.096668
iFrag= 156 jFrag= 83 EFMOc= -4566.727639175
iFrag= 156 jFrag= 83 EFMOu= -4559.062640101 Tr= 0.000428738
--------------------------------------
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 = -0.0002334204
--------------------------------------
FINAL EFP ENERGY = -0.0002334204
----------------------------------------
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)
0.524003 0.368763 -0.279341 0.698997
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-4.770428 0.085482 6.856826 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.654680 10.042142 -0.428450 11.532718
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-6.747486 0.369076 6.152932 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.178683 10.410904 -0.707791 12.126996
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 98 84 corr= MP2 , LL1= 780 ID= 4739
-----------------------
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 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 -4559.0343776604 -4559.0343776604 0.026529133 0.000000000 0.000000000 1.000000000 24231569 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0346950405 -0.0003173801 0.007370068 0.002745614 0.000000000 0.000000000 24229658 0
3 2 0 -4559.0348223337 -0.0001272932 0.003483845 0.000735447 0.000000000 0.000000000 24215678 0
4 3 0 -4559.0348385018 -0.0000161681 0.000545036 0.000379183 0.000000000 0.000000000 24183245 0
5 4 0 -4559.0348397946 -0.0000012928 0.000170824 0.000078805 0.000000000 0.000000000 23976061 0
6 5 0 -4559.0348398891 -0.0000000945 0.000053190 0.000013005 0.000000000 0.000000000 23779259 0
7 6 0 -4559.0348398977 -0.0000000085 0.000014816 0.000004043 0.000000000 0.000000000 23610814 0
8 7 0 -4559.0348398981 -0.0000000005 0.000005100 0.000001497 0.000000000 0.000000000 23374469 0
9 8 0 -4559.0348398983 -0.0000000001 0.000001273 0.000000666 0.000000000 0.000000000 23097787 0
10 9 0 -4559.0348398982 0.0000000000 0.000000363 0.000000356 0.000000000 0.000000000 22835483 0
11 10 0 -4559.0348398983 -0.0000000001 0.000000066 0.000000032 0.000000000 0.000000000 22516133 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 -4559.0348398983 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.76 TOTAL CPU TIME= 1478.9 ( 24.6 MIN)
TOTAL WALL CLOCK TIME= 1307.4 SECONDS, CPU UTILIZATION IS 113.11%
RHF RI MP2 ENERGY
ESCF= -4559.0348398983
E(2)= -7.6643907226
E(MP2)= -4566.6992306209
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.192415 10.564950 -0.660473 12.263784
iFrag= 98 jFrag= 84 EFMOc= -4566.699230621
iFrag= 98 jFrag= 84 EFMOu= -4559.034839898 Tr= 0.000233420
--------------------------------------
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 = -0.0003316061
--------------------------------------
FINAL EFP ENERGY = -0.0003316061
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
0.475555 -1.852263 -0.316523 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.211009 3.196108 -4.760412 5.737696
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-9.419876 -5.282664 -0.949563 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.156446 8.469483 3.915383 11.178739
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-4.472160 -3.567463 -0.633043 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.945438 11.665591 -0.845029 13.120531
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 71 19 corr= MP2 , LL1= 780 ID= 4867
-----------------------
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 71 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 -4559.0740400678 -4559.0740400678 0.081957442 0.000000000 0.000000000 1.000000000 22260854 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0293187134 0.0447213544 0.011374440 0.005134544 0.000000000 0.000000000 22260522 0
3 2 0 -4559.0295856558 -0.0002669424 0.004689862 0.001666879 0.000000000 0.000000000 22252412 0
4 3 0 -4559.0296178623 -0.0000322065 0.000910004 0.000373931 0.000000000 0.000000000 22227258 0
5 4 0 -4559.0296201985 -0.0000023362 0.000368401 0.000147236 0.000000000 0.000000000 22049507 0
6 5 0 -4559.0296205650 -0.0000003665 0.000132712 0.000039772 0.000000000 0.000000000 21941874 0
7 6 0 -4559.0296205988 -0.0000000339 0.000025256 0.000004266 0.000000000 0.000000000 21775896 0
8 7 0 -4559.0296205999 -0.0000000011 0.000008390 0.000002093 0.000000000 0.000000000 21405007 0
9 8 0 -4559.0296206001 -0.0000000001 0.000001624 0.000000930 0.000000000 0.000000000 21192816 0
10 9 0 -4559.0296206001 -0.0000000000 0.000000351 0.000000210 0.000000000 0.000000000 20884140 0
11 10 0 -4559.0296206001 -0.0000000000 0.000000138 0.000000056 0.000000000 0.000000000 20586258 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 -4559.0296206001 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.51 TOTAL CPU TIME= 1496.4 ( 24.9 MIN)
TOTAL WALL CLOCK TIME= 1319.2 SECONDS, CPU UTILIZATION IS 113.43%
RHF RI MP2 ENERGY
ESCF= -4559.0296206001
E(2)= -7.6653306298
E(MP2)= -4566.6949512299
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.874792 11.670121 -0.952628 13.100092
iFrag= 71 jFrag= 19 EFMOc= -4566.694951230
iFrag= 71 jFrag= 19 EFMOu= -4559.029620600 Tr= 0.000331606
--------------------------------------
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 = -0.0002693421
--------------------------------------
FINAL EFP ENERGY = -0.0002693421
----------------------------------------
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)
4.086837 3.409451 10.833779 12.070516
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-3.729403 0.642106 -2.671233 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-14.642102 4.251648 4.481338 15.891823
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.855570 -1.048812 -3.624424 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-10.555265 7.661099 15.315117 20.116134
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 51 23 corr= MP2 , LL1= 780 ID= 4994
-----------------------
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 23 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 -4559.0444420150 -4559.0444420150 0.064159599 0.000000000 0.000000000 1.000000000 28614800 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0453947865 -0.0009527715 0.013588828 0.002736662 0.000000000 0.000000000 28614156 0
3 2 0 -4559.0456203517 -0.0002255652 0.005058556 0.000932068 0.000000000 0.000000000 28608034 0
4 3 0 -4559.0456404760 -0.0000201243 0.000631634 0.000357795 0.000000000 0.000000000 28585060 0
5 4 0 -4559.0456424547 -0.0000019786 0.000277254 0.000110892 0.000000000 0.000000000 28365112 0
6 5 0 -4559.0456426484 -0.0000001938 0.000104056 0.000023962 0.000000000 0.000000000 28246433 0
7 6 0 -4559.0456426747 -0.0000000263 0.000012513 0.000005543 0.000000000 0.000000000 28034837 0
8 7 0 -4559.0456426755 -0.0000000008 0.000006015 0.000002238 0.000000000 0.000000000 27497058 0
9 8 0 -4559.0456426756 -0.0000000001 0.000001745 0.000000923 0.000000000 0.000000000 27308727 0
10 9 0 -4559.0456426757 -0.0000000000 0.000000190 0.000000134 0.000000000 0.000000000 26833756 0
11 10 0 -4559.0456426756 0.0000000000 0.000000111 0.000000041 0.000000000 0.000000000 26364742 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 -4559.0456426756 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.64 TOTAL CPU TIME= 1514.0 ( 25.2 MIN)
TOTAL WALL CLOCK TIME= 1331.2 SECONDS, CPU UTILIZATION IS 113.73%
RHF RI MP2 ENERGY
ESCF= -4559.0456426756
E(2)= -7.6665145013
E(MP2)= -4566.7121571769
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-10.549413 7.761555 15.385795 20.205310
iFrag= 51 jFrag= 23 EFMOc= -4566.712157177
iFrag= 51 jFrag= 23 EFMOu= -4559.045642676 Tr= 0.000269342
--------------------------------------
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 = -0.0005609497
--------------------------------------
FINAL EFP ENERGY = -0.0005609497
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-1.223932 2.507197 3.773578 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-9.303617 -4.117815 2.315622 10.434357
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-6.012497 3.193300 -1.951300 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.865079 -1.704882 1.030251 4.348203
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-3.618214 2.850248 0.911139 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-5.438538 -5.822697 3.345872 8.641549
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 102 74 corr= MP2 , LL1= 780 ID= 5123
-----------------------
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 102 74 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 -4559.0547522373 -4559.0547522373 0.075805876 0.000000000 0.000000000 1.000000000 34335636 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0164840263 0.0382682109 0.010171665 0.003665546 0.000000000 0.000000000 34335151 0
3 2 0 -4559.0169619154 -0.0004778891 0.005900927 0.001547450 0.000000000 0.000000000 34316987 0
4 3 0 -4559.0170213837 -0.0000594683 0.001302755 0.000565131 0.000000000 0.000000000 34298823 0
5 4 0 -4559.0170275176 -0.0000061339 0.000277935 0.000087490 0.000000000 0.000000000 34153642 0
6 5 0 -4559.0170278210 -0.0000003034 0.000102275 0.000023283 0.000000000 0.000000000 33818658 0
7 6 0 -4559.0170278516 -0.0000000306 0.000018659 0.000007348 0.000000000 0.000000000 33560442 0
8 7 0 -4559.0170278528 -0.0000000012 0.000006151 0.000002878 0.000000000 0.000000000 32954960 0
9 8 0 -4559.0170278531 -0.0000000003 0.000001535 0.000000685 0.000000000 0.000000000 32613336 0
10 9 0 -4559.0170278531 0.0000000000 0.000000486 0.000000137 0.000000000 0.000000000 32206960 0
11 10 0 -4559.0170278530 0.0000000000 0.000000116 0.000000041 0.000000000 0.000000000 31783905 0
12 11 0 -4559.0170278530 0.0000000000 0.000000026 0.000000010 0.000000000 0.000000000 31262003 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 -4559.0170278530 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.59 TOTAL CPU TIME= 1531.6 ( 25.5 MIN)
TOTAL WALL CLOCK TIME= 1343.5 SECONDS, CPU UTILIZATION IS 114.00%
RHF RI MP2 ENERGY
ESCF= -4559.0170278530
E(2)= -7.6726749270
E(MP2)= -4566.6897027800
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-5.628804 -5.729120 3.272953 8.672859
iFrag= 102 jFrag= 74 EFMOc= -4566.689702780
iFrag= 102 jFrag= 74 EFMOu= -4559.017027853 Tr= 0.000560950
--------------------------------------
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 = -0.0000764835
--------------------------------------
FINAL EFP ENERGY = -0.0000764835
----------------------------------------
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)
-7.336984 7.104252 12.544303 16.175947
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.266940 -10.209123 6.763802 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.966734 -6.860827 -9.069812 13.336710
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.925759 -1.692808 1.136679 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-14.303719 0.243426 3.474491 14.721675
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 73 70 corr= MP2 , LL1= 780 ID= 5251
-----------------------
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 73 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 -4559.0651354662 -4559.0651354662 0.076349845 0.000000000 0.000000000 1.000000000 22856053 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0617044215 0.0034310447 0.019859492 0.005833618 0.000000000 0.000000000 22855905 0
3 2 0 -4559.0619331251 -0.0002287036 0.010199839 0.002147228 0.000000000 0.000000000 22853882 0
4 3 0 -4559.0619646062 -0.0000314811 0.000923480 0.000487538 0.000000000 0.000000000 22849036 0
5 4 0 -4559.0619673160 -0.0000027099 0.000445200 0.000126736 0.000000000 0.000000000 22724841 0
6 5 0 -4559.0619675276 -0.0000002116 0.000092594 0.000029730 0.000000000 0.000000000 22661140 0
7 6 0 -4559.0619675454 -0.0000000178 0.000021871 0.000005767 0.000000000 0.000000000 22477203 0
8 7 0 -4559.0619675463 -0.0000000009 0.000011412 0.000004248 0.000000000 0.000000000 22217485 0
9 8 0 -4559.0619675465 -0.0000000002 0.000002587 0.000001139 0.000000000 0.000000000 22122746 0
10 9 0 -4559.0619675465 0.0000000000 0.000000292 0.000000142 0.000000000 0.000000000 21911354 0
11 10 0 -4559.0619675465 0.0000000000 0.000000117 0.000000033 0.000000000 0.000000000 21582423 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 -4559.0619675465 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.54 TOTAL CPU TIME= 1549.2 ( 25.8 MIN)
TOTAL WALL CLOCK TIME= 1355.2 SECONDS, CPU UTILIZATION IS 114.31%
RHF RI MP2 ENERGY
ESCF= -4559.0619675465
E(2)= -7.6676546316
E(MP2)= -4566.7296221781
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-14.302800 -0.006348 3.351256 14.690169
iFrag= 73 jFrag= 70 EFMOc= -4566.729622178
iFrag= 73 jFrag= 70 EFMOu= -4559.061967546 Tr= 0.000076484
--------------------------------------
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 = -0.0006470003
--------------------------------------
FINAL EFP ENERGY = -0.0006470003
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-6.012497 3.193300 -1.951300 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.122226 -1.669507 0.832205 4.524663
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
10.589497 6.804542 -3.721222 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.643170 -2.880762 8.060235 12.894065
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.288500 4.998921 -2.836261 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
13.765397 -4.550269 8.892440 17.007839
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 74 62 corr= MP2 , LL1= 780 ID= 5379
-----------------------
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 74 62 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 -4559.0265226446 -4559.0265226446 0.062197493 0.000000000 0.000000000 1.000000000 41517117 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0107004967 0.0158221479 0.017362715 0.005980119 0.000000000 0.000000000 41516025 0
3 2 0 -4559.0113573876 -0.0006568908 0.009284447 0.002157807 0.000000000 0.000000000 41507253 0
4 3 0 -4559.0114509138 -0.0000935263 0.001096656 0.000976727 0.000000000 0.000000000 41493392 0
5 4 0 -4559.0114596928 -0.0000087790 0.000356268 0.000105070 0.000000000 0.000000000 41217126 0
6 5 0 -4559.0114601580 -0.0000004652 0.000100138 0.000027723 0.000000000 0.000000000 40877821 0
7 6 0 -4559.0114602072 -0.0000000492 0.000022487 0.000012288 0.000000000 0.000000000 40423824 0
8 7 0 -4559.0114602093 -0.0000000021 0.000010722 0.000005729 0.000000000 0.000000000 39684002 0
9 8 0 -4559.0114602098 -0.0000000005 0.000001976 0.000000563 0.000000000 0.000000000 39360025 0
10 9 0 -4559.0114602098 -0.0000000000 0.000000312 0.000000146 0.000000000 0.000000000 38562580 0
11 10 0 -4559.0114602098 0.0000000000 0.000000113 0.000000042 0.000000000 0.000000000 37753473 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 -4559.0114602098 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.82 TOTAL CPU TIME= 1567.0 ( 26.1 MIN)
TOTAL WALL CLOCK TIME= 1367.3 SECONDS, CPU UTILIZATION IS 114.61%
RHF RI MP2 ENERGY
ESCF= -4559.0114602098
E(2)= -7.6742496103
E(MP2)= -4566.6857098201
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
14.125856 -4.191856 8.669351 17.095880
iFrag= 74 jFrag= 62 EFMOc= -4566.685709820
iFrag= 74 jFrag= 62 EFMOu= -4559.011460210 Tr= 0.000647000
--------------------------------------
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 = -0.0001847066
--------------------------------------
FINAL EFP ENERGY = -0.0001847066
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
3.617409 -2.585455 5.704954 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.513968 -2.032741 -2.710932 11.046480
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
9.440542 -2.739730 -4.577614 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.126059 3.430972 10.894928 12.144768
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
6.528976 -2.662592 0.563670 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
14.640028 1.398231 8.183996 16.830426
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 53 51 corr= MP2 , LL1= 780 ID= 5510
-----------------------
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 53 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 -4559.0229711595 -4559.0229711595 0.051413379 0.000000000 0.000000000 1.000000000 25251880 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0228908332 0.0000803263 0.011617336 0.002897683 0.000000000 0.000000000 25250873 0
3 2 0 -4559.0230678043 -0.0001769711 0.004493061 0.000893417 0.000000000 0.000000000 25243254 0
4 3 0 -4559.0230835677 -0.0000157634 0.000624211 0.000352225 0.000000000 0.000000000 25218546 0
5 4 0 -4559.0230852691 -0.0000017014 0.000233334 0.000083477 0.000000000 0.000000000 24988084 0
6 5 0 -4559.0230854467 -0.0000001775 0.000102703 0.000029704 0.000000000 0.000000000 24811055 0
7 6 0 -4559.0230854748 -0.0000000281 0.000010603 0.000004665 0.000000000 0.000000000 24671910 0
8 7 0 -4559.0230854753 -0.0000000005 0.000005075 0.000001770 0.000000000 0.000000000 24212775 0
9 8 0 -4559.0230854755 -0.0000000001 0.000000865 0.000000559 0.000000000 0.000000000 24048796 0
10 9 0 -4559.0230854755 -0.0000000000 0.000000201 0.000000106 0.000000000 0.000000000 23670943 0
11 10 0 -4559.0230854755 -0.0000000000 0.000000115 0.000000027 0.000000000 0.000000000 23373734 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 -4559.0230854755 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.63 TOTAL CPU TIME= 1584.6 ( 26.4 MIN)
TOTAL WALL CLOCK TIME= 1379.1 SECONDS, CPU UTILIZATION IS 114.90%
RHF RI MP2 ENERGY
ESCF= -4559.0230854755
E(2)= -7.6675412230
E(MP2)= -4566.6906266985
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
14.638612 1.393195 8.274504 16.872977
iFrag= 53 jFrag= 51 EFMOc= -4566.690626699
iFrag= 53 jFrag= 51 EFMOu= -4559.023085475 Tr= 0.000184707
--------------------------------------
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 = -0.0002138601
--------------------------------------
FINAL EFP ENERGY = -0.0002138601
----------------------------------------
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)
10.058669 5.641663 15.490986 19.312582
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.551611 -2.597648 0.668213 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
17.886278 -2.896968 18.098057 25.609589
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-0.641144 -0.361882 -0.217520 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
27.944947 2.744694 33.589043 43.779872
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 151 39 corr= MP2 , LL1= 780 ID= 5636
-----------------------
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 39 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 -4559.0648501672 -4559.0648501672 0.027394913 0.000000000 0.000000000 1.000000000 23428201 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0613444739 0.0035056934 0.008221339 0.002516392 0.000000000 0.000000000 23426339 0
3 2 0 -4559.0614901729 -0.0001456990 0.004875614 0.000944911 0.000000000 0.000000000 23418136 0
4 3 0 -4559.0615137213 -0.0000235484 0.000715589 0.000494898 0.000000000 0.000000000 23406192 0
5 4 0 -4559.0615157553 -0.0000020340 0.000213578 0.000080327 0.000000000 0.000000000 23241014 0
6 5 0 -4559.0615158357 -0.0000000804 0.000078703 0.000019722 0.000000000 0.000000000 23096791 0
7 6 0 -4559.0615158452 -0.0000000095 0.000014592 0.000005560 0.000000000 0.000000000 22893062 0
8 7 0 -4559.0615158456 -0.0000000004 0.000006386 0.000002345 0.000000000 0.000000000 22588295 0
9 8 0 -4559.0615158457 -0.0000000000 0.000001096 0.000000480 0.000000000 0.000000000 22453654 0
10 9 0 -4559.0615158457 -0.0000000000 0.000000298 0.000000114 0.000000000 0.000000000 22174047 0
11 10 0 -4559.0615158457 -0.0000000000 0.000000072 0.000000031 0.000000000 0.000000000 21899288 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 -4559.0615158457 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.43 TOTAL CPU TIME= 1602.0 ( 26.7 MIN)
TOTAL WALL CLOCK TIME= 1390.8 SECONDS, CPU UTILIZATION IS 115.19%
RHF RI MP2 ENERGY
ESCF= -4559.0615158457
E(2)= -7.6634916211
E(MP2)= -4566.7250074668
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
28.058358 2.744167 33.776758 43.996264
iFrag= 151 jFrag= 39 EFMOc= -4566.725007467
iFrag= 151 jFrag= 39 EFMOu= -4559.061515846 Tr= 0.000213860
--------------------------------------
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 = -0.0006180267
--------------------------------------
FINAL EFP ENERGY = -0.0006180267
----------------------------------------
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)
-0.049992 7.310393 0.859096 7.360869
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-1.771597 0.897440 -5.416300 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.972984 -3.350306 -3.934849 5.258734
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.528107 -0.621932 -0.808776 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.022976 3.960087 -3.075753 5.117521
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 108 95 corr= MP2 , LL1= 780 ID= 5765
-----------------------
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 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 -4559.0450618797 -4559.0450618797 0.049540311 0.000000000 0.000000000 1.000000000 43607552 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0323391334 0.0127227463 0.013253285 0.005258108 0.000000000 0.000000000 43605086 0
3 2 0 -4559.0329681081 -0.0006289747 0.005994516 0.001761177 0.000000000 0.000000000 43586087 0
4 3 0 -4559.0330404283 -0.0000723202 0.000973888 0.000548956 0.000000000 0.000000000 43545687 0
5 4 0 -4559.0330454730 -0.0000050447 0.000322576 0.000137809 0.000000000 0.000000000 43192148 0
6 5 0 -4559.0330461575 -0.0000006845 0.000100227 0.000025752 0.000000000 0.000000000 42734436 0
7 6 0 -4559.0330462165 -0.0000000590 0.000026403 0.000006020 0.000000000 0.000000000 42267094 0
8 7 0 -4559.0330462190 -0.0000000025 0.000010959 0.000003013 0.000000000 0.000000000 41437103 0
9 8 0 -4559.0330462194 -0.0000000004 0.000002388 0.000001361 0.000000000 0.000000000 40921677 0
10 9 0 -4559.0330462195 -0.0000000000 0.000000480 0.000000191 0.000000000 0.000000000 40226385 0
11 10 0 -4559.0330462195 0.0000000000 0.000000153 0.000000052 0.000000000 0.000000000 39290786 0
12 11 0 -4559.0330462195 -0.0000000000 0.000000050 0.000000015 0.000000000 0.000000000 38550220 0
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 2.5 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 -4559.0330462195 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 18.14 TOTAL CPU TIME= 1620.2 ( 27.0 MIN)
TOTAL WALL CLOCK TIME= 1403.3 SECONDS, CPU UTILIZATION IS 115.46%
RHF RI MP2 ENERGY
ESCF= -4559.0330462195
E(2)= -7.6750760300
E(MP2)= -4566.7081222495
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.012232 3.676340 -3.084692 4.904632
iFrag= 108 jFrag= 95 EFMOc= -4566.708122249
iFrag= 108 jFrag= 95 EFMOu= -4559.033046219 Tr= 0.000618027
--------------------------------------
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 = -0.0003018427
--------------------------------------
FINAL EFP ENERGY = -0.0003018427
----------------------------------------
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)
2.992708 -7.453964 13.517182 15.723615
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
-5.474747 -0.063029 5.667076 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.016543 0.955753 -10.129874 10.612603
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.296394 -2.751923 1.839660 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.009251 -6.498211 3.387308 9.476904
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 149 132 corr= MP2 , LL1= 780 ID= 5893
-----------------------
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 149 132 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 -4559.0944612290 -4559.0944612290 0.094301443 0.000000000 0.000000000 1.000000000 22228164 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0286284542 0.0658327748 0.006601962 0.005730676 0.000000000 0.000000000 22228041 0
3 2 0 -4559.0289504869 -0.0003220327 0.003290800 0.001770143 0.000000000 0.000000000 22215511 0
4 3 0 -4559.0289881433 -0.0000376565 0.000664376 0.000792153 0.000000000 0.000000000 22190587 0
5 4 0 -4559.0289917356 -0.0000035923 0.000174383 0.000121682 0.000000000 0.000000000 22071958 0
6 5 0 -4559.0289919476 -0.0000002119 0.000120142 0.000039231 0.000000000 0.000000000 21857761 0
7 6 0 -4559.0289919737 -0.0000000261 0.000021175 0.000013367 0.000000000 0.000000000 21796281 0
8 7 0 -4559.0289919745 -0.0000000008 0.000004650 0.000002110 0.000000000 0.000000000 21552414 0
9 8 0 -4559.0289919745 -0.0000000001 0.000001564 0.000000797 0.000000000 0.000000000 21314606 0
10 9 0 -4559.0289919745 -0.0000000000 0.000000246 0.000000215 0.000000000 0.000000000 21129986 0
11 10 0 -4559.0289919745 0.0000000000 0.000000134 0.000000041 0.000000000 0.000000000 20792325 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 -4559.0289919745 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.55 TOTAL CPU TIME= 1637.7 ( 27.3 MIN)
TOTAL WALL CLOCK TIME= 1415.2 SECONDS, CPU UTILIZATION IS 115.73%
RHF RI MP2 ENERGY
ESCF= -4559.0289919745
E(2)= -7.6654027017
E(MP2)= -4566.6943946763
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.088405 -6.388771 3.334217 9.434091
iFrag= 149 jFrag= 132 EFMOc= -4566.694394676
iFrag= 149 jFrag= 132 EFMOu= -4559.028991975 Tr= 0.000301843
--------------------------------------
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 = -0.0004528818
--------------------------------------
FINAL EFP ENERGY = -0.0004528818
----------------------------------------
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)
1.862793 -10.266361 -0.063027 10.434181
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
3.470318 0.296228 -2.137017 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.641496 10.047790 -1.402899 10.165516
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
1.077558 -5.432191 1.242297 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.504289 -0.218571 -1.465926 2.910013
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 79 8 corr= MP2 , LL1= 780 ID= 6022
-----------------------
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 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 -4559.0529197663 -4559.0529197663 0.046094526 0.000000000 0.000000000 1.000000000 30282986 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0370289207 0.0158908456 0.010745383 0.004543640 0.000000000 0.000000000 30281634 0
3 2 0 -4559.0374510163 -0.0004220956 0.005179712 0.001275463 0.000000000 0.000000000 30271446 0
4 3 0 -4559.0375015281 -0.0000505119 0.000917532 0.000461059 0.000000000 0.000000000 30254480 0
5 4 0 -4559.0375061079 -0.0000045797 0.000312871 0.000138209 0.000000000 0.000000000 30066140 0
6 5 0 -4559.0375066623 -0.0000005544 0.000163977 0.000039902 0.000000000 0.000000000 29815360 0
7 6 0 -4559.0375067200 -0.0000000576 0.000017544 0.000006084 0.000000000 0.000000000 29675308 0
8 7 0 -4559.0375067216 -0.0000000016 0.000009252 0.000004228 0.000000000 0.000000000 29075797 0
9 8 0 -4559.0375067219 -0.0000000003 0.000002035 0.000000973 0.000000000 0.000000000 28878679 0
10 9 0 -4559.0375067219 0.0000000000 0.000000355 0.000000232 0.000000000 0.000000000 28454149 0
11 10 0 -4559.0375067219 -0.0000000000 0.000000164 0.000000052 0.000000000 0.000000000 27967725 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 -4559.0375067219 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.61 TOTAL CPU TIME= 1655.3 ( 27.6 MIN)
TOTAL WALL CLOCK TIME= 1427.0 SECONDS, CPU UTILIZATION IS 116.00%
RHF RI MP2 ENERGY
ESCF= -4559.0375067219
E(2)= -7.6715520346
E(MP2)= -4566.7090587564
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.485537 -0.359762 -1.640357 2.999683
iFrag= 79 jFrag= 8 EFMOc= -4566.709058756
iFrag= 79 jFrag= 8 EFMOu= -4559.037506722 Tr= 0.000452882
--------------------------------------
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 = -0.0001310607
--------------------------------------
FINAL EFP ENERGY = -0.0001310607
----------------------------------------
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)
2.524996 1.415360 7.654943 8.183948
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
10.577144 -1.867239 -5.914108 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.008467 -1.754811 9.582302 13.268472
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
4.690192 -4.114881 1.304510 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
11.533463 -0.339451 17.237245 20.742676
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 56 52 corr= MP2 , LL1= 780 ID= 6150
-----------------------
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 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 -4559.0461543035 -4559.0461543035 0.030915462 0.000000000 0.000000000 1.000000000 26911640 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0458539546 0.0003003489 0.007103374 0.001771425 0.000000000 0.000000000 26909301 0
3 2 0 -4559.0459122118 -0.0000582572 0.002624475 0.000425425 0.000000000 0.000000000 26893102 0
4 3 0 -4559.0459169603 -0.0000047486 0.000351947 0.000202790 0.000000000 0.000000000 26848739 0
5 4 0 -4559.0459175876 -0.0000006273 0.000119715 0.000033510 0.000000000 0.000000000 26528204 0
6 5 0 -4559.0459176162 -0.0000000286 0.000029437 0.000007375 0.000000000 0.000000000 26267152 0
7 6 0 -4559.0459176205 -0.0000000043 0.000002762 0.000001684 0.000000000 0.000000000 25925925 0
8 7 0 -4559.0459176205 -0.0000000001 0.000002998 0.000000731 0.000000000 0.000000000 25406085 0
9 8 0 -4559.0459176206 -0.0000000000 0.000000496 0.000000258 0.000000000 0.000000000 25424416 0
10 9 0 -4559.0459176206 0.0000000000 0.000000126 0.000000054 0.000000000 0.000000000 24854976 0
11 10 0 -4559.0459176205 0.0000000000 0.000000053 0.000000012 0.000000000 0.000000000 24359848 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 -4559.0459176205 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.59 TOTAL CPU TIME= 1672.9 ( 27.9 MIN)
TOTAL WALL CLOCK TIME= 1438.9 SECONDS, CPU UTILIZATION IS 116.27%
RHF RI MP2 ENERGY
ESCF= -4559.0459176205
E(2)= -7.6662668843
E(MP2)= -4566.7121845048
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
11.577840 -0.383236 17.228729 20.761078
iFrag= 56 jFrag= 52 EFMOc= -4566.712184505
iFrag= 56 jFrag= 52 EFMOu= -4559.045917621 Tr= 0.000131061
--------------------------------------
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 = -0.0002878229
--------------------------------------
FINAL EFP ENERGY = -0.0002878229
----------------------------------------
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)
8.474801 -16.251865 26.840908 32.501996
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.656552 6.208680 -1.339720 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.224157 3.292140 -20.691699 21.593435
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-4.983925 1.167472 0.210719 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
13.698957 -12.959725 6.149209 19.835036
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 113 63 corr= MP2 , LL1= 780 ID= 6278
-----------------------
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 63 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 -4559.0075807015 -4559.0075807015 0.024495560 0.000000000 0.000000000 1.000000000 30925194 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0064683838 0.0011123178 0.006610488 0.001963718 0.000000000 0.000000000 30921176 0
3 2 0 -4559.0065679526 -0.0000995688 0.002673836 0.000587756 0.000000000 0.000000000 30900390 0
4 3 0 -4559.0065773852 -0.0000094326 0.000332268 0.000248764 0.000000000 0.000000000 30833787 0
5 4 0 -4559.0065784079 -0.0000010228 0.000163476 0.000064886 0.000000000 0.000000000 30506827 0
6 5 0 -4559.0065785018 -0.0000000938 0.000077475 0.000014423 0.000000000 0.000000000 30354183 0
7 6 0 -4559.0065785129 -0.0000000111 0.000014675 0.000002616 0.000000000 0.000000000 30169165 0
8 7 0 -4559.0065785133 -0.0000000004 0.000006618 0.000001056 0.000000000 0.000000000 29676238 0
9 8 0 -4559.0065785133 -0.0000000000 0.000000666 0.000000283 0.000000000 0.000000000 29422085 0
10 9 0 -4559.0065785133 -0.0000000000 0.000000180 0.000000105 0.000000000 0.000000000 28747184 0
11 10 0 -4559.0065785133 0.0000000000 0.000000059 0.000000024 0.000000000 0.000000000 28336651 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 -4559.0065785133 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.65 TOTAL CPU TIME= 1690.6 ( 28.2 MIN)
TOTAL WALL CLOCK TIME= 1450.8 SECONDS, CPU UTILIZATION IS 116.53%
RHF RI MP2 ENERGY
ESCF= -4559.0065785133
E(2)= -7.6698343424
E(MP2)= -4566.6764128557
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
13.730907 -12.955625 6.212256 19.874057
iFrag= 113 jFrag= 63 EFMOc= -4566.676412856
iFrag= 113 jFrag= 63 EFMOu= -4559.006578513 Tr= 0.000287823
--------------------------------------
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 = -0.0005864928
--------------------------------------
FINAL EFP ENERGY = -0.0005864928
----------------------------------------
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)
8.456801 2.763989 2.187793 9.162072
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-1.249873 3.545646 -4.689094 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.596729 2.838905 2.952081 5.450745
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.006750 3.939086 -2.864909 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
12.053530 5.602894 5.139874 14.251257
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 114 80 corr= MP2 , LL1= 780 ID= 6407
-----------------------
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 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 -4559.1055133923 -4559.1055133923 0.086467416 0.000000000 0.000000000 1.000000000 26056891 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0151641131 0.0903492792 0.009472547 0.006526406 0.000000000 0.000000000 26056688 0
3 2 0 -4559.0157344953 -0.0005703822 0.003470825 0.001391222 0.000000000 0.000000000 26049759 0
4 3 0 -4559.0157989949 -0.0000644996 0.000911220 0.000481070 0.000000000 0.000000000 26026517 0
5 4 0 -4559.0158042530 -0.0000052581 0.000285844 0.000253033 0.000000000 0.000000000 25907142 0
6 5 0 -4559.0158049910 -0.0000007380 0.000204363 0.000056290 0.000000000 0.000000000 25742196 0
7 6 0 -4559.0158050759 -0.0000000849 0.000035161 0.000010564 0.000000000 0.000000000 25688015 0
8 7 0 -4559.0158050790 -0.0000000031 0.000010574 0.000004675 0.000000000 0.000000000 25435231 0
9 8 0 -4559.0158050794 -0.0000000004 0.000002504 0.000001264 0.000000000 0.000000000 25261337 0
10 9 0 -4559.0158050794 -0.0000000000 0.000000472 0.000000393 0.000000000 0.000000000 24997669 0
11 10 0 -4559.0158050794 0.0000000000 0.000000420 0.000000098 0.000000000 0.000000000 24601436 0
12 11 0 -4559.0158050794 -0.0000000000 0.000000109 0.000000021 0.000000000 0.000000000 24567561 0
13 12 0 -4559.0158050794 0.0000000000 0.000000000 0.000000006 0.000000000 0.000000000 24266506 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= 0.7 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0158050794 AFTER 13 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.97 TOTAL CPU TIME= 1708.6 ( 28.5 MIN)
TOTAL WALL CLOCK TIME= 1463.0 SECONDS, CPU UTILIZATION IS 116.79%
RHF RI MP2 ENERGY
ESCF= -4559.0158050794
E(2)= -7.6689094869
E(MP2)= -4566.6847145664
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
11.952890 5.667431 5.252780 14.233167
iFrag= 114 jFrag= 80 EFMOc= -4566.684714566
iFrag= 114 jFrag= 80 EFMOu= -4559.015805079 Tr= 0.000586493
--------------------------------------
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 = -0.0002128870
--------------------------------------
FINAL EFP ENERGY = -0.0002128870
----------------------------------------
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)
-2.537576 -0.067152 5.849453 6.376512
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-1.771597 0.897440 -5.416300 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.983804 -3.190789 -3.929791 5.156768
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-2.978717 0.893573 0.039500 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.521379 -3.257940 1.919662 5.167145
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 115 95 corr= MP2 , LL1= 780 ID= 6535
-----------------------
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 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 -4559.0537348254 -4559.0537348254 0.028533162 0.000000000 0.000000000 1.000000000 27655532 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0497069513 0.0040278741 0.006017788 0.001587552 0.000000000 0.000000000 27652910 0
3 2 0 -4559.0497994376 -0.0000924862 0.002325241 0.000416299 0.000000000 0.000000000 27629162 0
4 3 0 -4559.0498086598 -0.0000092222 0.000271498 0.000127934 0.000000000 0.000000000 27562534 0
5 4 0 -4559.0498092843 -0.0000006245 0.000143222 0.000067023 0.000000000 0.000000000 27147966 0
6 5 0 -4559.0498094012 -0.0000001168 0.000060629 0.000017749 0.000000000 0.000000000 27000683 0
7 6 0 -4559.0498094118 -0.0000000107 0.000011306 0.000002947 0.000000000 0.000000000 26852539 0
8 7 0 -4559.0498094122 -0.0000000004 0.000003916 0.000001006 0.000000000 0.000000000 26418815 0
9 8 0 -4559.0498094123 -0.0000000000 0.000000438 0.000000250 0.000000000 0.000000000 26152553 0
10 9 0 -4559.0498094123 -0.0000000000 0.000000229 0.000000116 0.000000000 0.000000000 25537839 0
11 10 0 -4559.0498094123 -0.0000000000 0.000000065 0.000000024 0.000000000 0.000000000 25413252 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 -4559.0498094123 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.63 TOTAL CPU TIME= 1726.2 ( 28.8 MIN)
TOTAL WALL CLOCK TIME= 1474.7 SECONDS, CPU UTILIZATION IS 117.05%
RHF RI MP2 ENERGY
ESCF= -4559.0498094123
E(2)= -7.6666708012
E(MP2)= -4566.7164802135
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.472003 -3.316681 1.923050 5.172359
iFrag= 115 jFrag= 95 EFMOc= -4566.716480214
iFrag= 115 jFrag= 95 EFMOu= -4559.049809412 Tr= 0.000212887
--------------------------------------
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 = -0.0005163176
--------------------------------------
FINAL EFP ENERGY = -0.0005163176
----------------------------------------
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)
20.579086 9.695091 -8.750062 24.373288
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
5.373501 -13.296790 2.522950 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-11.584107 5.136915 10.887188 16.706594
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
1.056365 -7.434264 1.567542 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
8.994979 14.832006 2.137126 17.477568
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 116 109 corr= MP2 , LL1= 780 ID= 6663
-----------------------
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 116 109 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 -4559.0875470573 -4559.0875470573 0.068575267 0.000000000 0.000000000 1.000000000 28413334 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0430816599 0.0444653973 0.009462159 0.003464096 0.000000000 0.000000000 28412720 0
3 2 0 -4559.0433971278 -0.0003154678 0.004529859 0.001214227 0.000000000 0.000000000 28401053 0
4 3 0 -4559.0434378358 -0.0000407080 0.000848783 0.000416526 0.000000000 0.000000000 28379308 0
5 4 0 -4559.0434407846 -0.0000029489 0.000357751 0.000128006 0.000000000 0.000000000 28175462 0
6 5 0 -4559.0434412843 -0.0000004997 0.000099827 0.000032427 0.000000000 0.000000000 28010387 0
7 6 0 -4559.0434413256 -0.0000000413 0.000015529 0.000006633 0.000000000 0.000000000 27721708 0
8 7 0 -4559.0434413271 -0.0000000015 0.000008269 0.000002254 0.000000000 0.000000000 27275455 0
9 8 0 -4559.0434413273 -0.0000000002 0.000002178 0.000001113 0.000000000 0.000000000 27062336 0
10 9 0 -4559.0434413273 -0.0000000000 0.000000555 0.000000397 0.000000000 0.000000000 26618585 0
11 10 0 -4559.0434413274 -0.0000000000 0.000000202 0.000000081 0.000000000 0.000000000 26237360 0
12 11 0 -4559.0434413274 -0.0000000000 0.000000074 0.000000017 0.000000000 0.000000000 25934150 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 -4559.0434413274 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.79 TOTAL CPU TIME= 1744.0 ( 29.1 MIN)
TOTAL WALL CLOCK TIME= 1486.9 SECONDS, CPU UTILIZATION IS 117.29%
RHF RI MP2 ENERGY
ESCF= -4559.0434413274
E(2)= -7.6658981512
E(MP2)= -4566.7093394786
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.062425 14.728894 2.017870 17.410907
iFrag= 116 jFrag= 109 EFMOc= -4566.709339479
iFrag= 116 jFrag= 109 EFMOu= -4559.043441327 Tr= 0.000516318
--------------------------------------
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 = -0.0004738464
--------------------------------------
FINAL EFP ENERGY = -0.0004738464
----------------------------------------
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)
-1.355826 -6.634224 -5.153660 8.509489
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.184722 6.185355 -0.082507 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.617429 -5.719919 2.799193 7.323848
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.254969 -0.258478 0.665575 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-4.973255 -12.354143 -2.354467 13.524113
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 118 9 corr= MP2 , LL1= 780 ID= 6794
-----------------------
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 118 9 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 -4559.0894503443 -4559.0894503443 0.070881880 0.000000000 0.000000000 1.000000000 30867451 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0396585979 0.0497917464 0.016738423 0.006913240 0.000000000 0.000000000 30867065 0
3 2 0 -4559.0405431968 -0.0008845989 0.008229878 0.002398893 0.000000000 0.000000000 30861232 0
4 3 0 -4559.0406717957 -0.0001285990 0.001518087 0.001030234 0.000000000 0.000000000 30851824 0
5 4 0 -4559.0406850601 -0.0000132644 0.000518693 0.000172001 0.000000000 0.000000000 30719810 0
6 5 0 -4559.0406863255 -0.0000012654 0.000183482 0.000063667 0.000000000 0.000000000 30580559 0
7 6 0 -4559.0406864169 -0.0000000914 0.000026253 0.000015813 0.000000000 0.000000000 30386560 0
8 7 0 -4559.0406864210 -0.0000000041 0.000010041 0.000007682 0.000000000 0.000000000 29883601 0
9 8 0 -4559.0406864218 -0.0000000008 0.000002437 0.000001232 0.000000000 0.000000000 29646496 0
10 9 0 -4559.0406864218 -0.0000000000 0.000000612 0.000000279 0.000000000 0.000000000 29292932 0
11 10 0 -4559.0406864218 -0.0000000000 0.000000304 0.000000097 0.000000000 0.000000000 28896136 0
12 11 0 -4559.0406864218 0.0000000000 0.000000062 0.000000038 0.000000000 0.000000000 28757048 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 -4559.0406864218 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 18.01 TOTAL CPU TIME= 1762.0 ( 29.4 MIN)
TOTAL WALL CLOCK TIME= 1499.3 SECONDS, CPU UTILIZATION IS 117.52%
RHF RI MP2 ENERGY
ESCF= -4559.0406864218
E(2)= -7.6730238859
E(MP2)= -4566.7137103077
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-4.998527 -12.285579 -2.463243 13.490304
iFrag= 118 jFrag= 9 EFMOc= -4566.713710308
iFrag= 118 jFrag= 9 EFMOu= -4559.040686422 Tr= 0.000473846
--------------------------------------
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 = -0.0003415513
--------------------------------------
FINAL EFP ENERGY = -0.0003415513
----------------------------------------
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)
2.687244 -9.472576 8.130300 12.769211
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
3.287386 4.604838 7.368245 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.637722 -9.729016 -0.016805 11.244463
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
3.639901 2.969368 5.033337 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
8.324965 -19.201592 8.113495 22.446268
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 119 24 corr= MP2 , LL1= 780 ID= 6926
-----------------------
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 24 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 -4559.0758846619 -4559.0758846619 0.046303850 0.000000000 0.000000000 1.000000000 24431524 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0560324637 0.0198521982 0.012501575 0.007046590 0.000000000 0.000000000 24430783 0
3 2 0 -4559.0564578390 -0.0004253752 0.006506405 0.002272555 0.000000000 0.000000000 24424164 0
4 3 0 -4559.0565205179 -0.0000626789 0.001211497 0.000721841 0.000000000 0.000000000 24413808 0
5 4 0 -4559.0565263142 -0.0000057963 0.000344292 0.000143541 0.000000000 0.000000000 24300748 0
6 5 0 -4559.0565266790 -0.0000003648 0.000094162 0.000044267 0.000000000 0.000000000 24091509 0
7 6 0 -4559.0565267131 -0.0000000340 0.000020860 0.000009262 0.000000000 0.000000000 23791654 0
8 7 0 -4559.0565267141 -0.0000000010 0.000008890 0.000004265 0.000000000 0.000000000 23511686 0
9 8 0 -4559.0565267143 -0.0000000002 0.000001123 0.000000540 0.000000000 0.000000000 23352357 0
10 9 0 -4559.0565267143 0.0000000000 0.000000280 0.000000111 0.000000000 0.000000000 23055984 0
11 10 0 -4559.0565267144 -0.0000000000 0.000000099 0.000000050 0.000000000 0.000000000 22780877 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 -4559.0565267144 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.53 TOTAL CPU TIME= 1779.5 ( 29.7 MIN)
TOTAL WALL CLOCK TIME= 1511.2 SECONDS, CPU UTILIZATION IS 117.76%
RHF RI MP2 ENERGY
ESCF= -4559.0565267144
E(2)= -7.6676936096
E(MP2)= -4566.7242203240
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
8.401739 -19.083373 8.138761 22.383114
iFrag= 119 jFrag= 24 EFMOc= -4566.724220324
iFrag= 119 jFrag= 24 EFMOu= -4559.056526714 Tr= 0.000341551
--------------------------------------
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 = -0.0002360218
--------------------------------------
FINAL EFP ENERGY = -0.0002360218
----------------------------------------
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)
0.809128 9.032626 18.765264 20.841740
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-5.358172 5.089957 -4.721797 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
16.610421 -4.822893 4.763026 17.940256
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-0.770773 2.632510 -4.630113 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
17.419549 4.209733 23.528290 29.576054
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 120 33 corr= MP2 , LL1= 780 ID= 7053
-----------------------
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 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 -4558.9977957372 -4558.9977957372 0.027963769 0.000000000 0.000000000 1.000000000 23816359 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4558.9969665770 0.0008291602 0.007892313 0.002640642 0.000000000 0.000000000 23814541 0
3 2 0 -4558.9970954101 -0.0001288330 0.004190328 0.000920924 0.000000000 0.000000000 23803680 0
4 3 0 -4558.9971152330 -0.0000198229 0.000695456 0.000481957 0.000000000 0.000000000 23785359 0
5 4 0 -4558.9971169792 -0.0000017462 0.000194905 0.000075781 0.000000000 0.000000000 23643866 0
6 5 0 -4558.9971170397 -0.0000000605 0.000061130 0.000017959 0.000000000 0.000000000 23491592 0
7 6 0 -4558.9971170463 -0.0000000066 0.000007202 0.000004434 0.000000000 0.000000000 23321097 0
8 7 0 -4558.9971170465 -0.0000000002 0.000004628 0.000001529 0.000000000 0.000000000 23002177 0
9 8 0 -4558.9971170465 -0.0000000000 0.000000869 0.000000373 0.000000000 0.000000000 22916404 0
10 9 0 -4558.9971170466 -0.0000000000 0.000000272 0.000000099 0.000000000 0.000000000 22488159 0
11 10 0 -4558.9971170465 0.0000000000 0.000000057 0.000000029 0.000000000 0.000000000 22294649 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 -4558.9971170465 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.56 TOTAL CPU TIME= 1797.1 ( 30.0 MIN)
TOTAL WALL CLOCK TIME= 1522.9 SECONDS, CPU UTILIZATION IS 118.01%
RHF RI MP2 ENERGY
ESCF= -4558.9971170465
E(2)= -7.6655056058
E(MP2)= -4566.6626226524
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
17.319552 4.251867 23.366123 29.394234
iFrag= 120 jFrag= 33 EFMOc= -4566.662622652
iFrag= 120 jFrag= 33 EFMOu= -4558.997117047 Tr= 0.000236022
--------------------------------------
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 = -0.0001461358
--------------------------------------
FINAL EFP ENERGY = -0.0001461358
----------------------------------------
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)
-3.771266 2.566447 -21.138219 21.624833
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-3.588109 -2.358332 -4.703904 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-4.338123 -0.436567 0.399858 4.378332
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-2.559368 -0.777845 -0.775830 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-8.109390 2.129880 -20.738361 22.369135
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 121 42 corr= MP2 , LL1= 780 ID= 7181
-----------------------
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 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 -4559.0634752206 -4559.0634752206 0.056337707 0.000000000 0.000000000 1.000000000 26095361 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0605217245 0.0029534962 0.015289457 0.005756989 0.000000000 0.000000000 26094820 0
3 2 0 -4559.0607787990 -0.0002570746 0.006896752 0.001796878 0.000000000 0.000000000 26089744 0
4 3 0 -4559.0608080662 -0.0000292672 0.000571951 0.000308665 0.000000000 0.000000000 26077720 0
5 4 0 -4559.0608098077 -0.0000017415 0.000264609 0.000182480 0.000000000 0.000000000 25846985 0
6 5 0 -4559.0608100922 -0.0000002845 0.000077519 0.000035641 0.000000000 0.000000000 25702552 0
7 6 0 -4559.0608101146 -0.0000000224 0.000015334 0.000005595 0.000000000 0.000000000 25489648 0
8 7 0 -4559.0608101156 -0.0000000010 0.000010375 0.000004314 0.000000000 0.000000000 25226312 0
9 8 0 -4559.0608101158 -0.0000000002 0.000001951 0.000000991 0.000000000 0.000000000 25176307 0
10 9 0 -4559.0608101158 0.0000000000 0.000000240 0.000000160 0.000000000 0.000000000 24905589 0
11 10 0 -4559.0608101158 0.0000000000 0.000000113 0.000000036 0.000000000 0.000000000 24513934 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 -4559.0608101158 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.55 TOTAL CPU TIME= 1814.6 ( 30.2 MIN)
TOTAL WALL CLOCK TIME= 1534.7 SECONDS, CPU UTILIZATION IS 118.24%
RHF RI MP2 ENERGY
ESCF= -4559.0608101158
E(2)= -7.6697946389
E(MP2)= -4566.7306047547
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-8.136534 1.985036 -20.776939 22.401445
iFrag= 121 jFrag= 42 EFMOc= -4566.730604755
iFrag= 121 jFrag= 42 EFMOu= -4559.060810116 Tr= 0.000146136
--------------------------------------
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 = -0.0001728278
--------------------------------------
FINAL EFP ENERGY = -0.0001728278
----------------------------------------
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)
17.291167 -5.161757 14.766156 23.316680
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-2.056000 5.312591 -1.397214 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.772449 3.105611 11.661079 12.381925
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
1.824716 4.029577 -1.116297 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
14.518717 -2.056146 26.427235 30.222833
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 122 50 corr= MP2 , LL1= 780 ID= 7309
-----------------------
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 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 -4559.0621859960 -4559.0621859960 0.053530947 0.000000000 0.000000000 1.000000000 24233785 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0407440320 0.0214419640 0.008386027 0.003242935 0.000000000 0.000000000 24233047 0
3 2 0 -4559.0408983116 -0.0001542796 0.004929171 0.001168203 0.000000000 0.000000000 24223559 0
4 3 0 -4559.0409211844 -0.0000228727 0.000834657 0.000448914 0.000000000 0.000000000 24212177 0
5 4 0 -4559.0409236848 -0.0000025004 0.000369801 0.000118240 0.000000000 0.000000000 24035011 0
6 5 0 -4559.0409240062 -0.0000003214 0.000097447 0.000030982 0.000000000 0.000000000 23898229 0
7 6 0 -4559.0409240260 -0.0000000198 0.000007143 0.000003271 0.000000000 0.000000000 23649967 0
8 7 0 -4559.0409240265 -0.0000000005 0.000004322 0.000001766 0.000000000 0.000000000 23084667 0
9 8 0 -4559.0409240265 -0.0000000001 0.000001110 0.000000791 0.000000000 0.000000000 22935123 0
10 9 0 -4559.0409240266 -0.0000000000 0.000000191 0.000000080 0.000000000 0.000000000 22631385 0
11 10 0 -4559.0409240265 0.0000000000 0.000000110 0.000000028 0.000000000 0.000000000 22315060 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 -4559.0409240265 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.52 TOTAL CPU TIME= 1832.1 ( 30.5 MIN)
TOTAL WALL CLOCK TIME= 1546.5 SECONDS, CPU UTILIZATION IS 118.47%
RHF RI MP2 ENERGY
ESCF= -4559.0409240265
E(2)= -7.6652370190
E(MP2)= -4566.7061610455
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
14.608582 -1.996974 26.487184 30.314509
iFrag= 122 jFrag= 50 EFMOc= -4566.706161046
iFrag= 122 jFrag= 50 EFMOu= -4559.040924027 Tr= 0.000172828
--------------------------------------
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 = -0.0005520788
--------------------------------------
FINAL EFP ENERGY = -0.0005520788
----------------------------------------
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)
1.312886 1.777637 10.317848 10.551856
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.505678 -2.301525 2.626947 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.078312 4.763228 3.775568 8.595879
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.342220 -0.078780 3.413723 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-4.765426 6.540865 14.093417 16.251664
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 123 57 corr= MP2 , LL1= 780 ID= 7437
-----------------------
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 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 -4559.0461593867 -4559.0461593867 0.038523185 0.000000000 0.000000000 1.000000000 27505593 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0317953249 0.0143640618 0.007127727 0.001982172 0.000000000 0.000000000 27504055 0
3 2 0 -4559.0319875121 -0.0001921871 0.002891704 0.000779086 0.000000000 0.000000000 27492528 0
4 3 0 -4559.0320101422 -0.0000226302 0.000696830 0.000389017 0.000000000 0.000000000 27459759 0
5 4 0 -4559.0320129068 -0.0000027646 0.000226605 0.000075085 0.000000000 0.000000000 27278789 0
6 5 0 -4559.0320131170 -0.0000002102 0.000134156 0.000030044 0.000000000 0.000000000 27019848 0
7 6 0 -4559.0320131443 -0.0000000273 0.000016798 0.000005724 0.000000000 0.000000000 26870154 0
8 7 0 -4559.0320131451 -0.0000000008 0.000005917 0.000001689 0.000000000 0.000000000 26423476 0
9 8 0 -4559.0320131452 -0.0000000001 0.000000798 0.000000401 0.000000000 0.000000000 26192480 0
10 9 0 -4559.0320131452 -0.0000000000 0.000000328 0.000000163 0.000000000 0.000000000 25768604 0
11 10 0 -4559.0320131452 -0.0000000000 0.000000139 0.000000036 0.000000000 0.000000000 25591621 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 -4559.0320131452 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.55 TOTAL CPU TIME= 1849.7 ( 30.8 MIN)
TOTAL WALL CLOCK TIME= 1558.2 SECONDS, CPU UTILIZATION IS 118.71%
RHF RI MP2 ENERGY
ESCF= -4559.0320131452
E(2)= -7.6670509044
E(MP2)= -4566.6990640497
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-4.760739 6.454257 14.121740 16.240247
iFrag= 123 jFrag= 57 EFMOc= -4566.699064050
iFrag= 123 jFrag= 57 EFMOu= -4559.032013145 Tr= 0.000552079
--------------------------------------
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 = -0.0000740149
--------------------------------------
FINAL EFP ENERGY = -0.0000740149
----------------------------------------
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)
6.713013 -5.643418 4.536441 9.873804
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
10.589497 6.804542 -3.721222 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.623498 -2.981478 8.103842 12.929547
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
6.184282 4.859455 -4.096229 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
16.336511 -8.624896 12.640283 22.384083
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 124 62 corr= MP2 , LL1= 780 ID= 7564
-----------------------
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 62 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 -4559.0289723110 -4559.0289723110 0.046216691 0.000000000 0.000000000 1.000000000 29473055 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0265600676 0.0024122434 0.012963240 0.003675265 0.000000000 0.000000000 29472083 0
3 2 0 -4559.0267031210 -0.0001430534 0.006772647 0.001319703 0.000000000 0.000000000 29466196 0
4 3 0 -4559.0267236715 -0.0000205505 0.000800478 0.000428662 0.000000000 0.000000000 29456290 0
5 4 0 -4559.0267255427 -0.0000018712 0.000318700 0.000102871 0.000000000 0.000000000 29296944 0
6 5 0 -4559.0267256563 -0.0000001136 0.000070345 0.000022769 0.000000000 0.000000000 29111187 0
7 6 0 -4559.0267256687 -0.0000000123 0.000017914 0.000006329 0.000000000 0.000000000 28785742 0
8 7 0 -4559.0267256692 -0.0000000005 0.000008941 0.000002912 0.000000000 0.000000000 28509754 0
9 8 0 -4559.0267256693 -0.0000000001 0.000001123 0.000000565 0.000000000 0.000000000 28316806 0
10 9 0 -4559.0267256693 0.0000000000 0.000000331 0.000000097 0.000000000 0.000000000 27811133 0
11 10 0 -4559.0267256693 0.0000000000 0.000000077 0.000000027 0.000000000 0.000000000 27504384 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 -4559.0267256693 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.55 TOTAL CPU TIME= 1867.3 ( 31.1 MIN)
TOTAL WALL CLOCK TIME= 1569.9 SECONDS, CPU UTILIZATION IS 118.94%
RHF RI MP2 ENERGY
ESCF= -4559.0267256693
E(2)= -7.6700901439
E(MP2)= -4566.6968158132
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
16.159945 -8.636355 12.520983 22.192464
iFrag= 124 jFrag= 62 EFMOc= -4566.696815813
iFrag= 124 jFrag= 62 EFMOu= -4559.026725669 Tr= 0.000074015
--------------------------------------
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 = -0.0003103845
--------------------------------------
FINAL EFP ENERGY = -0.0003103845
----------------------------------------
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)
-2.266001 -7.514954 -4.865257 9.234718
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
0.868817 2.643422 -1.817194 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.798487 7.088725 15.846387 17.452580
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
1.738313 5.844725 -1.255602 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-4.064488 -0.426229 10.981131 11.716952
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 125 68 corr= MP2 , LL1= 780 ID= 7693
-----------------------
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 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 -4559.0169055181 -4559.0169055181 0.057179879 0.000000000 0.000000000 1.000000000 27297608 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0097336581 0.0071718599 0.014150711 0.002964644 0.000000000 0.000000000 27296897 0
3 2 0 -4559.0099462533 -0.0002125951 0.006080700 0.000913512 0.000000000 0.000000000 27291454 0
4 3 0 -4559.0099659655 -0.0000197122 0.000633372 0.000381093 0.000000000 0.000000000 27279820 0
5 4 0 -4559.0099685275 -0.0000025621 0.000209369 0.000058916 0.000000000 0.000000000 27059755 0
6 5 0 -4559.0099686653 -0.0000001377 0.000076058 0.000022675 0.000000000 0.000000000 26774367 0
7 6 0 -4559.0099686864 -0.0000000212 0.000006515 0.000003357 0.000000000 0.000000000 26563753 0
8 7 0 -4559.0099686868 -0.0000000004 0.000006202 0.000002556 0.000000000 0.000000000 25974493 0
9 8 0 -4559.0099686870 -0.0000000001 0.000001273 0.000000516 0.000000000 0.000000000 25961568 0
10 9 0 -4559.0099686870 0.0000000000 0.000000173 0.000000088 0.000000000 0.000000000 25494106 0
11 10 0 -4559.0099686869 0.0000000000 0.000000127 0.000000033 0.000000000 0.000000000 25080807 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 -4559.0099686869 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.52 TOTAL CPU TIME= 1884.8 ( 31.4 MIN)
TOTAL WALL CLOCK TIME= 1581.9 SECONDS, CPU UTILIZATION IS 119.15%
RHF RI MP2 ENERGY
ESCF= -4559.0099686869
E(2)= -7.6691737864
E(MP2)= -4566.6791424734
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.934927 -0.404592 10.880952 11.577671
iFrag= 125 jFrag= 68 EFMOc= -4566.679142473
iFrag= 125 jFrag= 68 EFMOu= -4559.009968687 Tr= 0.000310385
--------------------------------------
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 = -0.0003346029
--------------------------------------
FINAL EFP ENERGY = -0.0003346029
----------------------------------------
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)
-5.622809 -3.711992 4.464291 8.082373
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-2.155538 2.945429 4.251406 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.187856 -7.219164 4.799673 10.102823
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
1.867637 1.571593 7.189459 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.434953 -10.931155 9.263964 14.335284
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 126 72 corr= MP2 , LL1= 780 ID= 7821
-----------------------
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 72 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 -4559.0855468840 -4559.0855468840 0.124998790 0.000000000 0.000000000 1.000000000 22792046 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0002793755 0.0852675084 0.011141107 0.005580855 0.000000000 0.000000000 22791979 0
3 2 0 -4559.0006996042 -0.0004202287 0.005361362 0.001624507 0.000000000 0.000000000 22783817 0
4 3 0 -4559.0007527408 -0.0000531366 0.000967295 0.000413491 0.000000000 0.000000000 22769145 0
5 4 0 -4559.0007560674 -0.0000033266 0.000378772 0.000198265 0.000000000 0.000000000 22582902 0
6 5 0 -4559.0007567957 -0.0000007283 0.000143952 0.000051200 0.000000000 0.000000000 22433220 0
7 6 0 -4559.0007568403 -0.0000000445 0.000029716 0.000010397 0.000000000 0.000000000 22247683 0
8 7 0 -4559.0007568426 -0.0000000024 0.000010092 0.000003563 0.000000000 0.000000000 21990498 0
9 8 0 -4559.0007568429 -0.0000000002 0.000002717 0.000001370 0.000000000 0.000000000 21759551 0
10 9 0 -4559.0007568429 -0.0000000000 0.000000782 0.000000351 0.000000000 0.000000000 21529754 0
11 10 0 -4559.0007568429 0.0000000000 0.000000300 0.000000071 0.000000000 0.000000000 21337351 0
12 11 0 -4559.0007568429 0.0000000000 0.000000096 0.000000016 0.000000000 0.000000000 21181970 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 -4559.0007568429 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.85 TOTAL CPU TIME= 1902.6 ( 31.7 MIN)
TOTAL WALL CLOCK TIME= 1594.0 SECONDS, CPU UTILIZATION IS 119.36%
RHF RI MP2 ENERGY
ESCF= -4559.0007568429
E(2)= -7.6648376256
E(MP2)= -4566.6655944685
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.262162 -11.047046 9.279359 14.429568
iFrag= 126 jFrag= 72 EFMOc= -4566.665594468
iFrag= 126 jFrag= 72 EFMOu= -4559.000756843 Tr= 0.000334603
--------------------------------------
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 = -0.0002630735
--------------------------------------
FINAL EFP ENERGY = -0.0002630735
----------------------------------------
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)
6.513723 -19.030657 19.722221 28.170206
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.293073 1.884421 0.554097 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
13.928732 14.059813 -2.311147 19.925595
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
3.038719 0.241285 2.941362 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
20.442455 -4.970844 17.411074 27.308400
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 127 76 corr= MP2 , LL1= 780 ID= 7950
-----------------------
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 76 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 -4559.0507970185 -4559.0507970185 0.023459079 0.000000000 0.000000000 1.000000000 27536604 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0469436766 0.0038533419 0.003599255 0.002058855 0.000000000 0.000000000 27533433 0
3 2 0 -4559.0470035983 -0.0000599217 0.001559451 0.000564885 0.000000000 0.000000000 27482668 0
4 3 0 -4559.0470110376 -0.0000074393 0.000282971 0.000165549 0.000000000 0.000000000 27419061 0
5 4 0 -4559.0470115208 -0.0000004832 0.000098012 0.000050724 0.000000000 0.000000000 27108886 0
6 5 0 -4559.0470115790 -0.0000000581 0.000041273 0.000010909 0.000000000 0.000000000 26820237 0
7 6 0 -4559.0470115834 -0.0000000045 0.000007441 0.000002456 0.000000000 0.000000000 26637011 0
8 7 0 -4559.0470115837 -0.0000000002 0.000001764 0.000000979 0.000000000 0.000000000 26294876 0
9 8 0 -4559.0470115837 -0.0000000001 0.000000461 0.000000234 0.000000000 0.000000000 25969139 0
10 9 0 -4559.0470115837 0.0000000000 0.000000302 0.000000103 0.000000000 0.000000000 25534337 0
11 10 0 -4559.0470115837 -0.0000000000 0.000000047 0.000000032 0.000000000 0.000000000 25410250 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 -4559.0470115837 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.64 TOTAL CPU TIME= 1920.3 ( 32.0 MIN)
TOTAL WALL CLOCK TIME= 1605.9 SECONDS, CPU UTILIZATION IS 119.58%
RHF RI MP2 ENERGY
ESCF= -4559.0470115837
E(2)= -7.6677055533
E(MP2)= -4566.7147171370
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
20.502004 -4.998014 17.331940 27.307663
iFrag= 127 jFrag= 76 EFMOc= -4566.714717137
iFrag= 127 jFrag= 76 EFMOu= -4559.047011584 Tr= 0.000263073
--------------------------------------
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 = -0.0002591692
--------------------------------------
FINAL EFP ENERGY = -0.0002591692
----------------------------------------
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)
-2.158131 -1.228495 14.724736 14.932668
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.180792 0.988478 4.612620 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-9.841789 -0.747025 3.660240 10.526928
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.553318 -3.542427 3.452596 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-11.999920 -1.975519 18.384977 22.043324
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 128 77 corr= MP2 , LL1= 780 ID= 8077
-----------------------
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 77 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 -4559.0680185290 -4559.0680185290 0.069377567 0.000000000 0.000000000 1.000000000 21873402 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0442913416 0.0237271874 0.008966434 0.004317083 0.000000000 0.000000000 21873147 0
3 2 0 -4559.0444932277 -0.0002018861 0.006172854 0.001479107 0.000000000 0.000000000 21863972 0
4 3 0 -4559.0445243694 -0.0000311417 0.000948923 0.000452558 0.000000000 0.000000000 21857999 0
5 4 0 -4559.0445268308 -0.0000024614 0.000313941 0.000151013 0.000000000 0.000000000 21728794 0
6 5 0 -4559.0445271379 -0.0000003071 0.000115170 0.000032385 0.000000000 0.000000000 21573912 0
7 6 0 -4559.0445271647 -0.0000000269 0.000019036 0.000004921 0.000000000 0.000000000 21427999 0
8 7 0 -4559.0445271656 -0.0000000009 0.000007280 0.000002777 0.000000000 0.000000000 21195769 0
9 8 0 -4559.0445271658 -0.0000000001 0.000001539 0.000001352 0.000000000 0.000000000 20963645 0
10 9 0 -4559.0445271658 -0.0000000000 0.000000281 0.000000102 0.000000000 0.000000000 20707914 0
11 10 0 -4559.0445271658 0.0000000000 0.000000178 0.000000035 0.000000000 0.000000000 20466796 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 -4559.0445271658 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.50 TOTAL CPU TIME= 1937.8 ( 32.3 MIN)
TOTAL WALL CLOCK TIME= 1617.6 SECONDS, CPU UTILIZATION IS 119.80%
RHF RI MP2 ENERGY
ESCF= -4559.0445271658
E(2)= -7.6645289974
E(MP2)= -4566.7090561631
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-11.932402 -2.026343 18.354818 21.986078
iFrag= 128 jFrag= 77 EFMOc= -4566.709056163
iFrag= 128 jFrag= 77 EFMOu= -4559.044527166 Tr= 0.000259169
--------------------------------------
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 = -0.0004378424
--------------------------------------
FINAL EFP ENERGY = -0.0004378424
----------------------------------------
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)
-6.947005 -6.875021 -9.087505 13.345769
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
3.470318 0.296228 -2.137017 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.699603 10.070173 -1.495813 10.204670
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.368629 -4.956447 2.313393 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.247402 3.195152 -10.583319 12.698254
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 70 8 corr= MP2 , LL1= 780 ID= 8203
-----------------------
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 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 -4559.0391791868 -4559.0391791868 0.047266015 0.000000000 0.000000000 1.000000000 28379568 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0200740275 0.0191051592 0.009190213 0.002916488 0.000000000 0.000000000 28378682 0
3 2 0 -4559.0203773266 -0.0003032991 0.003655629 0.000788889 0.000000000 0.000000000 28369034 0
4 3 0 -4559.0204047631 -0.0000274365 0.000712693 0.000374526 0.000000000 0.000000000 28344087 0
5 4 0 -4559.0204085306 -0.0000037676 0.000147460 0.000078959 0.000000000 0.000000000 28148315 0
6 5 0 -4559.0204087121 -0.0000001815 0.000075229 0.000023767 0.000000000 0.000000000 27868992 0
7 6 0 -4559.0204087399 -0.0000000279 0.000013380 0.000004392 0.000000000 0.000000000 27721910 0
8 7 0 -4559.0204087407 -0.0000000008 0.000003849 0.000002261 0.000000000 0.000000000 27292614 0
9 8 0 -4559.0204087409 -0.0000000002 0.000001345 0.000000394 0.000000000 0.000000000 27077707 0
10 9 0 -4559.0204087409 -0.0000000000 0.000000393 0.000000091 0.000000000 0.000000000 26870711 0
11 10 0 -4559.0204087409 -0.0000000000 0.000000100 0.000000040 0.000000000 0.000000000 26616954 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 -4559.0204087409 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.54 TOTAL CPU TIME= 1955.3 ( 32.6 MIN)
TOTAL WALL CLOCK TIME= 1629.3 SECONDS, CPU UTILIZATION IS 120.01%
RHF RI MP2 ENERGY
ESCF= -4559.0204087409
E(2)= -7.6728206959
E(MP2)= -4566.6932294368
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.209678 3.175154 -10.641765 12.723555
iFrag= 70 jFrag= 8 EFMOc= -4566.693229437
iFrag= 70 jFrag= 8 EFMOu= -4559.020408741 Tr= 0.000437842
--------------------------------------
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 = -0.0004736247
--------------------------------------
FINAL EFP ENERGY = -0.0004736247
----------------------------------------
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)
5.832352 -6.478570 -3.615870 9.437305
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.266940 -10.209123 6.763802 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.944335 -6.900812 -8.934737 13.254226
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.312622 -4.725549 6.110203 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.111982 -13.379382 -12.550607 18.378305
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 92 70 corr= MP2 , LL1= 780 ID= 8330
-----------------------
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 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 -4559.0948560720 -4559.0948560720 0.078026717 0.000000000 0.000000000 1.000000000 28503244 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0582500688 0.0366060032 0.008892150 0.003213579 0.000000000 0.000000000 28502876 0
3 2 0 -4559.0586274799 -0.0003774111 0.006406008 0.001133004 0.000000000 0.000000000 28490724 0
4 3 0 -4559.0586812469 -0.0000537670 0.001065544 0.000602751 0.000000000 0.000000000 28484758 0
5 4 0 -4559.0586869734 -0.0000057265 0.000336663 0.000115512 0.000000000 0.000000000 28339829 0
6 5 0 -4559.0586874611 -0.0000004877 0.000266128 0.000037136 0.000000000 0.000000000 28053871 0
7 6 0 -4559.0586875185 -0.0000000574 0.000030726 0.000009809 0.000000000 0.000000000 28010150 0
8 7 0 -4559.0586875203 -0.0000000018 0.000007804 0.000004732 0.000000000 0.000000000 27620206 0
9 8 0 -4559.0586875206 -0.0000000003 0.000002244 0.000000957 0.000000000 0.000000000 27176755 0
10 9 0 -4559.0586875206 0.0000000000 0.000000333 0.000000122 0.000000000 0.000000000 26868234 0
11 10 0 -4559.0586875206 0.0000000000 0.000000159 0.000000026 0.000000000 0.000000000 26375528 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 -4559.0586875206 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.62 TOTAL CPU TIME= 1972.9 ( 32.9 MIN)
TOTAL WALL CLOCK TIME= 1641.1 SECONDS, CPU UTILIZATION IS 120.22%
RHF RI MP2 ENERGY
ESCF= -4559.0586875206
E(2)= -7.6680674596
E(MP2)= -4566.7267549802
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.082292 -13.382528 -12.508343 18.349988
iFrag= 92 jFrag= 70 EFMOc= -4566.726754980
iFrag= 92 jFrag= 70 EFMOu= -4559.058687521 Tr= 0.000473625
--------------------------------------
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 = -0.0002369201
--------------------------------------
FINAL EFP ENERGY = -0.0002369201
----------------------------------------
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)
0.994886 -10.935180 -5.986772 12.506374
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.293073 1.884421 0.554097 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
13.882766 14.193937 -2.209762 19.977039
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
3.395209 -0.855096 -2.867958 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
14.877651 3.258757 -8.196534 17.295872
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 131 76 corr= MP2 , LL1= 780 ID= 8460
-----------------------
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 76 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 -4559.0524881897 -4559.0524881897 0.047825260 0.000000000 0.000000000 1.000000000 25878654 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0514865608 0.0010016289 0.011799663 0.004616433 0.000000000 0.000000000 25877546 0
3 2 0 -4559.0516889734 -0.0002024126 0.005063537 0.001313490 0.000000000 0.000000000 25870382 0
4 3 0 -4559.0517099452 -0.0000209718 0.000481093 0.000331919 0.000000000 0.000000000 25844350 0
5 4 0 -4559.0517119704 -0.0000020252 0.000236340 0.000108355 0.000000000 0.000000000 25561173 0
6 5 0 -4559.0517121455 -0.0000001751 0.000086965 0.000030490 0.000000000 0.000000000 25454836 0
7 6 0 -4559.0517121659 -0.0000000204 0.000010909 0.000005556 0.000000000 0.000000000 25288542 0
8 7 0 -4559.0517121666 -0.0000000007 0.000008345 0.000003471 0.000000000 0.000000000 24845750 0
9 8 0 -4559.0517121667 -0.0000000001 0.000001632 0.000001038 0.000000000 0.000000000 24759406 0
10 9 0 -4559.0517121667 -0.0000000000 0.000000238 0.000000180 0.000000000 0.000000000 24416707 0
11 10 0 -4559.0517121667 0.0000000000 0.000000114 0.000000038 0.000000000 0.000000000 23988901 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 -4559.0517121667 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.65 TOTAL CPU TIME= 1990.6 ( 33.2 MIN)
TOTAL WALL CLOCK TIME= 1653.0 SECONDS, CPU UTILIZATION IS 120.42%
RHF RI MP2 ENERGY
ESCF= -4559.0517121667
E(2)= -7.6680695070
E(MP2)= -4566.7197816737
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
14.881218 3.180339 -8.138129 17.256719
iFrag= 131 jFrag= 76 EFMOc= -4566.719781674
iFrag= 131 jFrag= 76 EFMOu= -4559.051712167 Tr= 0.000236920
--------------------------------------
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 = -0.0003032553
--------------------------------------
FINAL EFP ENERGY = -0.0003032553
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-2.130889 5.029252 0.989946 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.183048 -5.671327 -5.437585 12.861794
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-5.358172 5.089957 -4.721797 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
16.613759 -4.880125 4.933292 18.004721
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-3.744531 5.059605 -1.865926 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
26.796806 -10.551452 -0.504292 28.803755
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 65 33 corr= MP2 , LL1= 780 ID= 8588
-----------------------
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 65 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 -4559.0689906979 -4559.0689906979 0.041826495 0.000000000 0.000000000 1.000000000 22540901 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0581596227 0.0108310751 0.010600590 0.003029470 0.000000000 0.000000000 22540226 0
3 2 0 -4559.0583876002 -0.0002279775 0.004784371 0.000939950 0.000000000 0.000000000 22534738 0
4 3 0 -4559.0584168015 -0.0000292012 0.000681442 0.000411268 0.000000000 0.000000000 22515741 0
5 4 0 -4559.0584192415 -0.0000024400 0.000299611 0.000118549 0.000000000 0.000000000 22306625 0
6 5 0 -4559.0584195133 -0.0000002718 0.000094147 0.000037728 0.000000000 0.000000000 22177701 0
7 6 0 -4559.0584195421 -0.0000000288 0.000017897 0.000007364 0.000000000 0.000000000 22023522 0
8 7 0 -4559.0584195431 -0.0000000010 0.000008112 0.000001981 0.000000000 0.000000000 21834185 0
9 8 0 -4559.0584195433 -0.0000000002 0.000001382 0.000000929 0.000000000 0.000000000 21670990 0
10 9 0 -4559.0584195433 -0.0000000000 0.000000346 0.000000268 0.000000000 0.000000000 21401788 0
11 10 0 -4559.0584195433 0.0000000000 0.000000130 0.000000042 0.000000000 0.000000000 21065524 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 -4559.0584195433 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.48 TOTAL CPU TIME= 2008.1 ( 33.5 MIN)
TOTAL WALL CLOCK TIME= 1664.6 SECONDS, CPU UTILIZATION IS 120.63%
RHF RI MP2 ENERGY
ESCF= -4559.0584195433
E(2)= -7.6647228188
E(MP2)= -4566.7231423621
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
26.682159 -10.577276 -0.514149 28.706806
iFrag= 65 jFrag= 33 EFMOc= -4566.723142362
iFrag= 65 jFrag= 33 EFMOu= -4559.058419543 Tr= 0.000303255
--------------------------------------
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 = -0.0007765864
--------------------------------------
FINAL EFP ENERGY = -0.0007765864
----------------------------------------
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)
-8.049025 0.587676 8.054745 11.402240
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.266940 -10.209123 6.763802 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-7.142292 -6.697749 -8.987107 13.290608
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.504976 -1.891863 1.264497 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-15.191316 -6.110073 -0.932362 16.400561
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 133 70 corr= MP2 , LL1= 780 ID= 8715
-----------------------
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 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 -4559.1197186091 -4559.1197186091 0.093637284 0.000000000 0.000000000 1.000000000 29946724 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0494739330 0.0702446760 0.009704235 0.005011473 0.000000000 0.000000000 29946445 0
3 2 0 -4559.0500842622 -0.0006103291 0.005785567 0.001556304 0.000000000 0.000000000 29934762 0
4 3 0 -4559.0501692463 -0.0000849841 0.001322433 0.000511971 0.000000000 0.000000000 29921999 0
5 4 0 -4559.0501771399 -0.0000078936 0.000312087 0.000225753 0.000000000 0.000000000 29814093 0
6 5 0 -4559.0501778194 -0.0000006795 0.000217046 0.000044332 0.000000000 0.000000000 29623918 0
7 6 0 -4559.0501779013 -0.0000000819 0.000044805 0.000012202 0.000000000 0.000000000 29571599 0
8 7 0 -4559.0501779054 -0.0000000041 0.000013182 0.000004235 0.000000000 0.000000000 29255193 0
9 8 0 -4559.0501779061 -0.0000000007 0.000002796 0.000001082 0.000000000 0.000000000 28981572 0
10 9 0 -4559.0501779062 -0.0000000001 0.000000858 0.000000220 0.000000000 0.000000000 28658454 0
11 10 0 -4559.0501779062 0.0000000000 0.000000373 0.000000077 0.000000000 0.000000000 28317247 0
12 11 0 -4559.0501779062 0.0000000000 0.000000068 0.000000025 0.000000000 0.000000000 28137487 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 -4559.0501779062 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.84 TOTAL CPU TIME= 2025.9 ( 33.8 MIN)
TOTAL WALL CLOCK TIME= 1676.7 SECONDS, CPU UTILIZATION IS 120.82%
RHF RI MP2 ENERGY
ESCF= -4559.0501779062
E(2)= -7.6692454319
E(MP2)= -4566.7194233380
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-15.609510 -5.937535 -1.030210 16.732377
iFrag= 133 jFrag= 70 EFMOc= -4566.719423338
iFrag= 133 jFrag= 70 EFMOu= -4559.050177906 Tr= 0.000776586
--------------------------------------
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 = -0.0002180439
--------------------------------------
FINAL EFP ENERGY = -0.0002180439
----------------------------------------
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)
3.894364 11.075202 -4.914971 12.727258
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.621198 0.989815 0.169777 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-5.685379 1.718447 3.411464 6.849429
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
4.733216 -2.041837 2.230278 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.791015 12.793649 -1.503506 13.005603
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 134 69 corr= MP2 , LL1= 780 ID= 8846
-----------------------
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 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 -4559.0579201344 -4559.0579201344 0.035059207 0.000000000 0.000000000 1.000000000 25555561 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0570790103 0.0008411241 0.009177627 0.003856194 0.000000000 0.000000000 25554130 0
3 2 0 -4559.0572602428 -0.0001812325 0.004593272 0.001316992 0.000000000 0.000000000 25545772 0
4 3 0 -4559.0572824567 -0.0000222139 0.000561641 0.000350871 0.000000000 0.000000000 25529213 0
5 4 0 -4559.0572841412 -0.0000016845 0.000190441 0.000091649 0.000000000 0.000000000 25333830 0
6 5 0 -4559.0572842931 -0.0000001520 0.000060792 0.000014655 0.000000000 0.000000000 25158508 0
7 6 0 -4559.0572843054 -0.0000000122 0.000016682 0.000004030 0.000000000 0.000000000 24958191 0
8 7 0 -4559.0572843061 -0.0000000007 0.000004887 0.000002478 0.000000000 0.000000000 24671355 0
9 8 0 -4559.0572843061 -0.0000000001 0.000001457 0.000001170 0.000000000 0.000000000 24477148 0
10 9 0 -4559.0572843062 -0.0000000000 0.000000384 0.000000187 0.000000000 0.000000000 24250820 0
11 10 0 -4559.0572843062 -0.0000000000 0.000000110 0.000000034 0.000000000 0.000000000 23957639 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 -4559.0572843062 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.64 TOTAL CPU TIME= 2043.5 ( 34.1 MIN)
TOTAL WALL CLOCK TIME= 1688.7 SECONDS, CPU UTILIZATION IS 121.02%
RHF RI MP2 ENERGY
ESCF= -4559.0572843062
E(2)= -7.6649570876
E(MP2)= -4566.7222413938
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.733632 12.943320 -1.370861 13.130662
iFrag= 134 jFrag= 69 EFMOc= -4566.722241394
iFrag= 134 jFrag= 69 EFMOu= -4559.057284306 Tr= 0.000218044
--------------------------------------
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 = -0.0006247305
--------------------------------------
FINAL EFP ENERGY = -0.0006247305
----------------------------------------
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)
-0.373228 -5.153436 1.899679 5.505087
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
0.749846 3.382504 -4.425236 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.800283 -2.306820 -15.110904 17.161155
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
3.316737 5.023961 -5.347708 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.427055 -7.460256 -13.211225 16.892396
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 135 61 corr= MP2 , LL1= 780 ID= 8971
-----------------------
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 61 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 -4559.1001670845 -4559.1001670845 0.095791426 0.000000000 0.000000000 1.000000000 31896737 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0334995944 0.0666674901 0.010355574 0.004006110 0.000000000 0.000000000 31896426 0
3 2 0 -4559.0340424333 -0.0005428388 0.004701351 0.001175314 0.000000000 0.000000000 31882082 0
4 3 0 -4559.0341046370 -0.0000622038 0.000790726 0.000711244 0.000000000 0.000000000 31860055 0
5 4 0 -4559.0341120182 -0.0000073812 0.000169692 0.000079784 0.000000000 0.000000000 31632925 0
6 5 0 -4559.0341124077 -0.0000003895 0.000098051 0.000032435 0.000000000 0.000000000 31321513 0
7 6 0 -4559.0341124489 -0.0000000412 0.000020587 0.000010723 0.000000000 0.000000000 31169653 0
8 7 0 -4559.0341124505 -0.0000000016 0.000006771 0.000004013 0.000000000 0.000000000 30633932 0
9 8 0 -4559.0341124508 -0.0000000003 0.000001903 0.000000755 0.000000000 0.000000000 30278065 0
10 9 0 -4559.0341124509 -0.0000000000 0.000000391 0.000000147 0.000000000 0.000000000 29878598 0
11 10 0 -4559.0341124509 -0.0000000000 0.000000156 0.000000044 0.000000000 0.000000000 29421893 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 -4559.0341124509 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.61 TOTAL CPU TIME= 2061.1 ( 34.4 MIN)
TOTAL WALL CLOCK TIME= 1700.5 SECONDS, CPU UTILIZATION IS 121.21%
RHF RI MP2 ENERGY
ESCF= -4559.0341124509
E(2)= -7.6681767942
E(MP2)= -4566.7022892451
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.492002 -7.593689 -13.219594 16.986814
iFrag= 135 jFrag= 61 EFMOc= -4566.702289245
iFrag= 135 jFrag= 61 EFMOu= -4559.034112451 Tr= 0.000624731
--------------------------------------
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 = -0.0005041498
--------------------------------------
FINAL EFP ENERGY = -0.0005041498
----------------------------------------
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)
4.434470 14.332986 -11.546379 18.931928
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-3.934245 -1.977295 3.930397 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-7.669619 8.239435 2.599961 11.552971
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-2.011620 1.223318 1.988538 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.235149 22.572420 -8.946418 24.495280
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 96 85 corr= MP2 , LL1= 780 ID= 9100
-----------------------
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 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 -4558.9802249848 -4558.9802249848 0.032233310 0.000000000 0.000000000 1.000000000 29055696 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4558.9787297966 0.0014951881 0.009404991 0.002783464 0.000000000 0.000000000 29053717 0
3 2 0 -4558.9789881766 -0.0002583799 0.004425572 0.001161793 0.000000000 0.000000000 29043867 0
4 3 0 -4558.9790204224 -0.0000322458 0.000732149 0.000432927 0.000000000 0.000000000 29020234 0
5 4 0 -4558.9790235145 -0.0000030921 0.000191545 0.000076913 0.000000000 0.000000000 28885277 0
6 5 0 -4558.9790236603 -0.0000001458 0.000081744 0.000021152 0.000000000 0.000000000 28638280 0
7 6 0 -4558.9790236747 -0.0000000145 0.000008257 0.000004694 0.000000000 0.000000000 28485572 0
8 7 0 -4558.9790236753 -0.0000000005 0.000003798 0.000001277 0.000000000 0.000000000 28105484 0
9 8 0 -4558.9790236754 -0.0000000001 0.000001546 0.000000465 0.000000000 0.000000000 27929283 0
10 9 0 -4558.9790236754 0.0000000000 0.000000237 0.000000143 0.000000000 0.000000000 27712001 0
11 10 0 -4558.9790236754 -0.0000000000 0.000000106 0.000000035 0.000000000 0.000000000 27199474 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 -4558.9790236754 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.63 TOTAL CPU TIME= 2078.8 ( 34.6 MIN)
TOTAL WALL CLOCK TIME= 1712.6 SECONDS, CPU UTILIZATION IS 121.38%
RHF RI MP2 ENERGY
ESCF= -4558.9790236754
E(2)= -7.6708963366
E(MP2)= -4566.6499200120
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.256800 22.513243 -8.904785 24.428427
iFrag= 96 jFrag= 85 EFMOc= -4566.649920012
iFrag= 96 jFrag= 85 EFMOu= -4558.979023675 Tr= 0.000504150
--------------------------------------
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 = -0.0004552222
--------------------------------------
FINAL EFP ENERGY = -0.0004552222
----------------------------------------
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)
0.474997 11.712084 -17.977991 21.461750
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-2.056000 5.312591 -1.397214 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.863413 3.105194 11.645138 12.387518
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-2.414047 4.081723 -3.510900 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.388416 14.817278 -6.332853 16.289914
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 137 50 corr= MP2 , LL1= 780 ID= 9229
-----------------------
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 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 -4559.0547730377 -4559.0547730377 0.046941969 0.000000000 0.000000000 1.000000000 31221592 0
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0456867659 0.0090862718 0.009354213 0.003557386 0.000000000 0.000000000 31220342 0
3 2 0 -4559.0460342018 -0.0003474359 0.004891898 0.001331461 0.000000000 0.000000000 31207809 0
4 3 0 -4559.0460799194 -0.0000457176 0.000952418 0.000688828 0.000000000 0.000000000 31189740 0
5 4 0 -4559.0460846891 -0.0000047696 0.000289470 0.000110540 0.000000000 0.000000000 31003867 0
6 5 0 -4559.0460849599 -0.0000002708 0.000078326 0.000027252 0.000000000 0.000000000 30768100 0
7 6 0 -4559.0460849875 -0.0000000276 0.000010573 0.000005311 0.000000000 0.000000000 30456200 0
8 7 0 -4559.0460849885 -0.0000000010 0.000006545 0.000002843 0.000000000 0.000000000 29894821 0
9 8 0 -4559.0460849888 -0.0000000003 0.000001440 0.000000535 0.000000000 0.000000000 29742312 0
10 9 0 -4559.0460849888 0.0000000000 0.000000353 0.000000130 0.000000000 0.000000000 29272935 0
11 10 0 -4559.0460849888 -0.0000000000 0.000000077 0.000000061 0.000000000 0.000000000 28758448 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 -4559.0460849888 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 17.54 TOTAL CPU TIME= 2096.3 ( 34.9 MIN)
TOTAL WALL CLOCK TIME= 1724.3 SECONDS, CPU UTILIZATION IS 121.57%
RHF RI MP2 ENERGY
ESCF= -4559.0460849888
E(2)= -7.6696692286
E(MP2)= -4566.7157542174
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.548333 14.900850 -6.394736 16.414079
iFrag= 137 jFrag= 50 EFMOc= -4566.715754217
iFrag= 137 jFrag= 50 EFMOu= -4559.046084989 Tr= 0.000455222
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0037149322
CHARGE-DIPOLE = 0.0011957078
CHARGE-QUADRUPOLE = 0.0001567712
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000065251
DIPOLE-QUADRUPOLE = 0.0000583755
QUADRUPOLE-QUADRUPOLE = -0.0000057100
OVERLAP PEN. ENERGY = -0.0000000004
--------------
ELECTROSTATIC ENERGY = 0.0051266016
REPULSION ENERGY = -0.0000000257
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0000606839
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000455129
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = 0.0050658921
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-1.223932 2.507197 3.773578 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-9.216390 -4.121645 2.372809 10.371114
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
-17.375404 -5.013379 13.485561 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
31.507514 -33.750026 -17.986214 49.550899
cpu time efp_dimer (s)= 0.12 nproc= 8
energy of the separated dimer 102 2, L1= 953 is -7507.835638585
CPU 0: STEP CPU TIME= 14.70 TOTAL CPU TIME= 2111.0 ( 35.2 MIN)
TOTAL WALL CLOCK TIME= 1733.3 SECONDS, CPU UTILIZATION IS 121.79%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = -0.0069412832
CHARGE-DIPOLE = -0.0021116080
CHARGE-QUADRUPOLE = -0.0001710469
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = -0.0000123018
DIPOLE-QUADRUPOLE = 0.0000400447
QUADRUPOLE-QUADRUPOLE = -0.0000149672
OVERLAP PEN. ENERGY = -0.0000001527
--------------
ELECTROSTATIC ENERGY = -0.0092113151
REPULSION ENERGY = 0.0000052386
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0000758018
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000568514
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = -0.0092818784
----------------------------------------
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)
-1.126129 -1.106514 -5.948508 6.154453
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
-16.348968 -6.360521 10.800450 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
39.597774 -30.734895 -26.307531 56.610102
cpu time efp_dimer (s)= 0.12 nproc= 8
energy of the separated dimer 142 2, L1= 953 is -7507.849813810
CPU 0: STEP CPU TIME= 0.14 TOTAL CPU TIME= 2111.2 ( 35.2 MIN)
TOTAL WALL CLOCK TIME= 1733.5 SECONDS, CPU UTILIZATION IS 121.79%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = -0.0010897631
CHARGE-DIPOLE = -0.0007577640
CHARGE-QUADRUPOLE = 0.0000150118
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = -0.0001297520
DIPOLE-QUADRUPOLE = 0.0000066767
QUADRUPOLE-QUADRUPOLE = 0.0000009659
OVERLAP PEN. ENERGY = -0.0000000003
--------------
ELECTROSTATIC ENERGY = -0.0019546250
REPULSION ENERGY = -0.0000000105
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0000088015
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000066011
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = -0.0019634370
----------------------------------------
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 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
-17.468078 -8.975935 7.185008 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-27.982938 19.591433 13.782667 36.835187
cpu time efp_dimer (s)= 0.12 nproc= 8
energy of the separated dimer 26 3, L1= 953 is -8306.014294607
CPU 0: STEP CPU TIME= 0.14 TOTAL CPU TIME= 2111.3 ( 35.2 MIN)
TOTAL WALL CLOCK TIME= 1733.7 SECONDS, CPU UTILIZATION IS 121.78%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = -0.0021146418
CHARGE-DIPOLE = -0.0004291300
CHARGE-QUADRUPOLE = 0.0002448488
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0001285225
DIPOLE-QUADRUPOLE = -0.0000092469
QUADRUPOLE-QUADRUPOLE = -0.0000125974
OVERLAP PEN. ENERGY = -0.0000009387
--------------
ELECTROSTATIC ENERGY = -0.0021931834
REPULSION ENERGY = 0.0000468015
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0000427897
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000320923
CHARGE TRANSFER ENRGY = -0.0000047298
--------------------------------------
FINAL EFP ENERGY = -0.0021939014
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-4.319601 7.297959 6.930443 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.655176 -1.718515 17.318458 19.012733
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
-18.492035 -3.285316 14.624265 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
48.379080 -31.346896 -3.040565 57.727015
cpu time efp_dimer (s)= 6.81 nproc= 8
energy of the separated dimer 99 2, L1= 953 is -7507.847759362
CPU 0: STEP CPU TIME= 14.00 TOTAL CPU TIME= 2125.3 ( 35.4 MIN)
TOTAL WALL CLOCK TIME= 1740.5 SECONDS, CPU UTILIZATION IS 122.11%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0018758111
CHARGE-DIPOLE = 0.0012795967
CHARGE-QUADRUPOLE = -0.0001603822
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0002172061
DIPOLE-QUADRUPOLE = -0.0000529126
QUADRUPOLE-QUADRUPOLE = 0.0000025574
OVERLAP PEN. ENERGY = -0.0000000307
--------------
ELECTROSTATIC ENERGY = 0.0031618458
REPULSION ENERGY = -0.0000026747
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0001613458
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0001210094
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = 0.0029978252
----------------------------------------
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)
7.131274 7.576980 3.238257 10.897339
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
7.905276 1.654618 -8.566142 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
19.482629 -0.570420 -6.750450 20.626847
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
6.075042 4.723021 -8.244416 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
26.613903 7.006560 -3.512194 27.743958
cpu time efp_dimer (s)= 0.07 nproc= 8
energy of the separated dimer 87 41, L1= 780 is -4559.050131967
CPU 0: STEP CPU TIME= 0.09 TOTAL CPU TIME= 2125.4 ( 35.4 MIN)
TOTAL WALL CLOCK TIME= 1740.7 SECONDS, CPU UTILIZATION IS 122.10%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = -0.0007644343
CHARGE-DIPOLE = -0.0004245581
CHARGE-QUADRUPOLE = -0.0001808043
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = -0.0000513752
DIPOLE-QUADRUPOLE = -0.0000729112
QUADRUPOLE-QUADRUPOLE = 0.0000014435
OVERLAP PEN. ENERGY = -0.0000002036
--------------
ELECTROSTATIC ENERGY = -0.0014928431
REPULSION ENERGY = -0.0000142985
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0002460275
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0001845206
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = -0.0017531691
----------------------------------------
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)
7.131274 7.576980 3.238257 10.897339
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.772929 -0.343911 2.350119 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-10.987689 7.861319 8.125758 15.765709
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
1.735939 3.723756 -2.786285 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.856416 15.438299 11.364014 19.553870
cpu time efp_dimer (s)= 0.07 nproc= 8
energy of the separated dimer 87 22, L1= 780 is -4559.052428370
CPU 0: STEP CPU TIME= 0.10 TOTAL CPU TIME= 2125.5 ( 35.4 MIN)
TOTAL WALL CLOCK TIME= 1740.8 SECONDS, CPU UTILIZATION IS 122.10%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0006620332
CHARGE-DIPOLE = 0.0004819692
CHARGE-QUADRUPOLE = -0.0001581467
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000871307
DIPOLE-QUADRUPOLE = -0.0000541148
QUADRUPOLE-QUADRUPOLE = 0.0000073714
OVERLAP PEN. ENERGY = -0.0000001156
--------------
ELECTROSTATIC ENERGY = 0.0010261274
REPULSION ENERGY = -0.0000121688
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0001827003
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0001370252
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = 0.0008312582
----------------------------------------
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)
17.253204 -5.147231 14.768956 23.287101
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-2.130889 5.029252 0.989946 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.224763 -5.729229 -5.389697 12.900336
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
1.787272 3.887907 0.077283 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
27.477967 -10.876460 9.379259 31.004944
cpu time efp_dimer (s)= 0.07 nproc= 8
energy of the separated dimer 122 65, L1= 780 is -4559.048318324
CPU 0: STEP CPU TIME= 0.09 TOTAL CPU TIME= 2125.6 ( 35.4 MIN)
TOTAL WALL CLOCK TIME= 1740.9 SECONDS, CPU UTILIZATION IS 122.10%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0009696358
CHARGE-DIPOLE = 0.0006227942
CHARGE-QUADRUPOLE = -0.0000519850
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000997444
DIPOLE-QUADRUPOLE = -0.0000089294
QUADRUPOLE-QUADRUPOLE = -0.0000155668
OVERLAP PEN. ENERGY = -0.0000000399
--------------
ELECTROSTATIC ENERGY = 0.0016156532
REPULSION ENERGY = -0.0000020461
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0001088302
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000816226
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = 0.0015047770
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
0.177364 4.303952 -0.441470 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.397452 -10.745340 6.350427 14.509051
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.184722 6.185355 -0.082507 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.522100 -5.737173 2.759923 7.275817
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-0.003679 5.244654 -0.261988 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.875352 -16.482513 9.110350 19.227326
cpu time efp_dimer (s)= 0.07 nproc= 8
energy of the separated dimer 44 9, L1= 780 is -4559.056187378
CPU 0: STEP CPU TIME= 0.10 TOTAL CPU TIME= 2125.7 ( 35.4 MIN)
TOTAL WALL CLOCK TIME= 1741.0 SECONDS, CPU UTILIZATION IS 122.10%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = -0.0002118742
CHARGE-DIPOLE = -0.0001695139
CHARGE-QUADRUPOLE = 0.0001802358
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = -0.0000028664
DIPOLE-QUADRUPOLE = -0.0000600655
QUADRUPOLE-QUADRUPOLE = 0.0001126124
OVERLAP PEN. ENERGY = -0.0000642371
--------------
ELECTROSTATIC ENERGY = -0.0002157089
REPULSION ENERGY = -0.0005788913
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0007976942
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0005982706
CHARGE TRANSFER ENRGY = -0.0001270716
--------------------------------------
FINAL EFP ENERGY = -0.0017193660
----------------------------------------
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)
17.253204 -5.147231 14.768956 23.287101
FRAGMENT 2 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
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
5.792645 -0.820908 -2.326787 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
13.667824 -6.944822 8.936160 17.745279
cpu time efp_dimer (s)= 1.95 nproc= 8
energy of the separated dimer 122 26, L1= 780 is -4559.051466962
CPU 0: STEP CPU TIME= 2.91 TOTAL CPU TIME= 2128.6 ( 35.5 MIN)
TOTAL WALL CLOCK TIME= 1743.0 SECONDS, CPU UTILIZATION IS 122.12%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0008105699
CHARGE-DIPOLE = 0.0006040847
CHARGE-QUADRUPOLE = -0.0001833768
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0001074065
DIPOLE-QUADRUPOLE = -0.0000455690
QUADRUPOLE-QUADRUPOLE = -0.0000139536
OVERLAP PEN. ENERGY = -0.0000016813
--------------
ELECTROSTATIC ENERGY = 0.0012774804
REPULSION ENERGY = -0.0000225175
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0002196886
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0001647664
CHARGE TRANSFER ENRGY = -0.0000054397
--------------------------------------
FINAL EFP ENERGY = 0.0010298347
----------------------------------------
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)
1.786621 1.466044 11.460755 11.691459
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.180792 0.988478 4.612620 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-9.886485 -0.680306 3.660674 10.564371
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.365243 -0.005078 6.382122 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-8.099864 0.785738 15.121430 17.172152
cpu time efp_dimer (s)= 1.96 nproc= 8
energy of the separated dimer 117 77, L1= 780 is -4559.054554606
CPU 0: STEP CPU TIME= 2.93 TOTAL CPU TIME= 2131.5 ( 35.5 MIN)
TOTAL WALL CLOCK TIME= 1745.0 SECONDS, CPU UTILIZATION IS 122.15%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = -0.0010708611
CHARGE-DIPOLE = -0.0005667920
CHARGE-QUADRUPOLE = -0.0002298986
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = -0.0000743512
DIPOLE-QUADRUPOLE = -0.0000648143
QUADRUPOLE-QUADRUPOLE = -0.0000064406
OVERLAP PEN. ENERGY = -0.0000000022
--------------
ELECTROSTATIC ENERGY = -0.0020131601
REPULSION ENERGY = -0.0000002355
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0000648021
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000486016
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = -0.0020781977
----------------------------------------
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)
2.466338 1.415957 7.661716 8.172493
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.580385 -2.261774 -2.293038 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.516833 2.822594 4.913229 5.865802
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-0.888573 -4.312148 3.115046 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.983172 4.238550 12.574945 13.854970
cpu time efp_dimer (s)= 0.07 nproc= 8
energy of the separated dimer 56 55, L1= 780 is -4559.053272763
CPU 0: STEP CPU TIME= 0.09 TOTAL CPU TIME= 2131.6 ( 35.5 MIN)
TOTAL WALL CLOCK TIME= 1745.1 SECONDS, CPU UTILIZATION IS 122.15%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0038480728
CHARGE-DIPOLE = 0.0026427560
CHARGE-QUADRUPOLE = -0.0002392584
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0004437395
DIPOLE-QUADRUPOLE = -0.0000429161
QUADRUPOLE-QUADRUPOLE = -0.0000359135
OVERLAP PEN. ENERGY = -0.0000040452
--------------
ELECTROSTATIC ENERGY = 0.0066124351
REPULSION ENERGY = -0.0001751675
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0003850326
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0002887744
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = 0.0060522349
----------------------------------------
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)
1.767866 -10.131579 0.017348 10.284675
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.266940 -10.209123 6.763802 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.978785 -6.839138 -9.028572 13.303848
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-0.024131 -10.684867 5.692706 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-5.210919 -16.970717 -9.011224 19.908819
cpu time efp_dimer (s)= 0.07 nproc= 8
energy of the separated dimer 79 70, L1= 780 is -4559.050063539
CPU 0: STEP CPU TIME= 0.10 TOTAL CPU TIME= 2131.7 ( 35.5 MIN)
TOTAL WALL CLOCK TIME= 1745.2 SECONDS, CPU UTILIZATION IS 122.15%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = -0.0009394596
CHARGE-DIPOLE = -0.0003714915
CHARGE-QUADRUPOLE = -0.0004881443
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = -0.0000321668
DIPOLE-QUADRUPOLE = -0.0001199731
QUADRUPOLE-QUADRUPOLE = -0.0000346950
OVERLAP PEN. ENERGY = -0.0000007356
--------------
ELECTROSTATIC ENERGY = -0.0019866659
REPULSION ENERGY = -0.0000184604
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0001518070
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0001138552
CHARGE TRANSFER ENRGY = -0.0000027225
--------------------------------------
FINAL EFP ENERGY = -0.0021596557
----------------------------------------
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)
0.309123 1.820741 -8.654480 8.849332
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-8.634148 -4.428350 1.441665 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-9.050220 -12.145623 4.524304 15.807972
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-2.937213 -1.495145 0.375462 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-8.741096 -10.324882 -4.130175 14.144550
cpu time efp_dimer (s)= 1.88 nproc= 8
energy of the separated dimer 112 30, L1= 780 is -4559.037861657
CPU 0: STEP CPU TIME= 2.74 TOTAL CPU TIME= 2134.5 ( 35.6 MIN)
TOTAL WALL CLOCK TIME= 1747.2 SECONDS, CPU UTILIZATION IS 122.17%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0015988482
CHARGE-DIPOLE = 0.0010307694
CHARGE-QUADRUPOLE = 0.0001050394
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0001692564
DIPOLE-QUADRUPOLE = 0.0000206383
QUADRUPOLE-QUADRUPOLE = 0.0000156587
OVERLAP PEN. ENERGY = -0.0000000219
--------------
ELECTROSTATIC ENERGY = 0.0029401884
REPULSION ENERGY = -0.0000016709
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0000939578
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000704683
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = 0.0028445598
----------------------------------------
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)
-2.255566 -4.214255 0.213434 4.784671
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
0.435440 5.232913 0.190960 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.567615 -3.191237 5.579497 6.452672
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-2.532617 0.043604 -2.338099 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.687951 -7.405492 5.792931 9.552410
cpu time efp_dimer (s)= 0.07 nproc= 8
energy of the separated dimer 153 143, L1= 780 is -4559.035707059
CPU 0: STEP CPU TIME= 0.09 TOTAL CPU TIME= 2134.6 ( 35.6 MIN)
TOTAL WALL CLOCK TIME= 1747.3 SECONDS, CPU UTILIZATION IS 122.16%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0011236062
CHARGE-DIPOLE = 0.0008382715
CHARGE-QUADRUPOLE = -0.0002446074
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0001494969
DIPOLE-QUADRUPOLE = -0.0000652196
QUADRUPOLE-QUADRUPOLE = -0.0000118851
OVERLAP PEN. ENERGY = -0.0000002007
--------------
ELECTROSTATIC ENERGY = 0.0017894618
REPULSION ENERGY = -0.0000079243
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0000755558
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000566668
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = 0.0017059818
----------------------------------------
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)
-2.255566 -4.214255 0.213434 4.784671
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
5.512111 3.331625 -7.121855 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
18.937224 -5.732324 4.153837 20.217131
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.005719 -0.907039 -5.994507 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
16.681658 -9.946579 4.367271 19.906914
cpu time efp_dimer (s)= 0.07 nproc= 8
energy of the separated dimer 153 139, L1= 780 is -4559.052544246
CPU 0: STEP CPU TIME= 0.10 TOTAL CPU TIME= 2134.7 ( 35.6 MIN)
TOTAL WALL CLOCK TIME= 1747.4 SECONDS, CPU UTILIZATION IS 122.16%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0002046089
CHARGE-DIPOLE = 0.0001398263
CHARGE-QUADRUPOLE = 0.0000021845
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000223330
DIPOLE-QUADRUPOLE = 0.0000043794
QUADRUPOLE-QUADRUPOLE = -0.0000004424
OVERLAP PEN. ENERGY = -0.0000000002
--------------
ELECTROSTATIC ENERGY = 0.0003728895
REPULSION ENERGY = -0.0000000271
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0000695420
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000521565
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = 0.0003033204
----------------------------------------
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)
-2.255566 -4.214255 0.213434 4.784671
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
1.190119 2.143964 4.200499 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.328289 1.929651 10.237190 10.501807
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-2.155277 -1.500870 -0.333330 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.927277 -2.284604 10.450624 10.737541
cpu time efp_dimer (s)= 0.07 nproc= 8
energy of the separated dimer 153 123, L1= 780 is -4559.047830982
CPU 0: STEP CPU TIME= 0.09 TOTAL CPU TIME= 2134.8 ( 35.6 MIN)
TOTAL WALL CLOCK TIME= 1747.6 SECONDS, CPU UTILIZATION IS 122.16%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = -0.0001223398
CHARGE-DIPOLE = -0.0001123353
CHARGE-QUADRUPOLE = -0.0000401696
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = -0.0000116804
DIPOLE-QUADRUPOLE = -0.0000588259
QUADRUPOLE-QUADRUPOLE = 0.0000455151
OVERLAP PEN. ENERGY = -0.0000049719
--------------
ELECTROSTATIC ENERGY = -0.0003048079
REPULSION ENERGY = -0.0001622462
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0001936142
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0001452107
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = -0.0006606683
----------------------------------------
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)
-2.255566 -4.214255 0.213434 4.784671
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
-2.327374 0.888827 3.572995 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-14.861460 3.817987 4.303790 15.936205
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-3.914024 -2.128438 -0.647082 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-17.117026 -0.396267 4.517224 17.707482
cpu time efp_dimer (s)= 0.07 nproc= 8
energy of the separated dimer 153 103, L1= 780 is -4559.052527168
CPU 0: STEP CPU TIME= 0.10 TOTAL CPU TIME= 2134.8 ( 35.6 MIN)
TOTAL WALL CLOCK TIME= 1747.7 SECONDS, CPU UTILIZATION IS 122.15%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0010372451
CHARGE-DIPOLE = 0.0006243800
CHARGE-QUADRUPOLE = 0.0000340583
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000896968
DIPOLE-QUADRUPOLE = 0.0000207375
QUADRUPOLE-QUADRUPOLE = 0.0000002197
OVERLAP PEN. ENERGY = -0.0000000557
--------------
ELECTROSTATIC ENERGY = 0.0018062817
REPULSION ENERGY = -0.0000049321
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0001678532
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0001258899
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = 0.0016334964
----------------------------------------
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)
-2.255566 -4.214255 0.213434 4.784671
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.621198 0.989815 0.169777 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-5.691951 1.612858 3.454244 6.850651
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-3.060936 -2.077944 -2.348691 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-7.947517 -2.601397 3.667678 9.131383
cpu time efp_dimer (s)= 0.07 nproc= 8
energy of the separated dimer 153 69, L1= 780 is -4559.049724914
CPU 0: STEP CPU TIME= 0.09 TOTAL CPU TIME= 2134.9 ( 35.6 MIN)
TOTAL WALL CLOCK TIME= 1747.8 SECONDS, CPU UTILIZATION IS 122.15%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0013063638
CHARGE-DIPOLE = 0.0007364256
CHARGE-QUADRUPOLE = 0.0001731079
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0001054971
DIPOLE-QUADRUPOLE = 0.0000381310
QUADRUPOLE-QUADRUPOLE = 0.0000194849
OVERLAP PEN. ENERGY = -0.0000000709
--------------
ELECTROSTATIC ENERGY = 0.0023789394
REPULSION ENERGY = -0.0000023986
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0001143807
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000857855
CHARGE TRANSFER ENRGY = -0.0000003631
--------------------------------------
FINAL EFP ENERGY = 0.0022617970
----------------------------------------
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)
-2.255566 -4.214255 0.213434 4.784671
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
5.322898 10.514235 -4.794131 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.388207 1.424465 -4.199403 5.580684
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-0.088888 2.684266 -4.830645 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-5.643773 -2.789790 -3.985970 7.451379
cpu time efp_dimer (s)= 1.93 nproc= 8
energy of the separated dimer 153 10, L1= 780 is -4559.057986996
CPU 0: STEP CPU TIME= 2.87 TOTAL CPU TIME= 2137.8 ( 35.6 MIN)
TOTAL WALL CLOCK TIME= 1749.8 SECONDS, CPU UTILIZATION IS 122.17%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0017205807
CHARGE-DIPOLE = 0.0011852653
CHARGE-QUADRUPOLE = -0.0000950476
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0002010338
DIPOLE-QUADRUPOLE = -0.0000224209
QUADRUPOLE-QUADRUPOLE = -0.0000111138
OVERLAP PEN. ENERGY = -0.0000120782
--------------
ELECTROSTATIC ENERGY = 0.0029662193
REPULSION ENERGY = -0.0001218526
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0002560699
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0001920524
CHARGE TRANSFER ENRGY = -0.0000306757
--------------------------------------
FINAL EFP ENERGY = 0.0025576211
----------------------------------------
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)
4.613479 -8.454829 -13.256738 16.386257
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
11.817661 1.732953 -3.808632 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-9.110425 2.210521 7.000076 11.699884
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.262296 -5.182148 -0.029371 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-4.496945 -6.244308 -6.256662 9.917647
cpu time efp_dimer (s)= 1.92 nproc= 8
energy of the separated dimer 148 89, L1= 780 is -4559.058089122
CPU 0: STEP CPU TIME= 2.83 TOTAL CPU TIME= 2140.6 ( 35.7 MIN)
TOTAL WALL CLOCK TIME= 1751.8 SECONDS, CPU UTILIZATION IS 122.20%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0015889438
CHARGE-DIPOLE = 0.0011225698
CHARGE-QUADRUPOLE = -0.0001003480
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0001978819
DIPOLE-QUADRUPOLE = -0.0000333308
QUADRUPOLE-QUADRUPOLE = 0.0000002253
OVERLAP PEN. ENERGY = -0.0000000092
--------------
ELECTROSTATIC ENERGY = 0.0027759329
REPULSION ENERGY = -0.0000015443
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0001173480
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000880110
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = 0.0026570406
----------------------------------------
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)
0.567615 -3.191237 5.579497 6.452672
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
5.247404 -4.872816 2.984121 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.323704 -3.367104 12.346364 13.006525
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.841422 0.180049 1.587540 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.891318 -6.558341 17.925861 19.305649
cpu time efp_dimer (s)= 0.07 nproc= 8
energy of the separated dimer 143 136, L1= 780 is -4559.041998404
CPU 0: STEP CPU TIME= 0.09 TOTAL CPU TIME= 2140.7 ( 35.7 MIN)
TOTAL WALL CLOCK TIME= 1751.9 SECONDS, CPU UTILIZATION IS 122.19%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = -0.0008804279
CHARGE-DIPOLE = -0.0004729047
CHARGE-QUADRUPOLE = -0.0003702884
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = -0.0000588613
DIPOLE-QUADRUPOLE = -0.0001218306
QUADRUPOLE-QUADRUPOLE = -0.0000010130
OVERLAP PEN. ENERGY = -0.0000087565
--------------
ELECTROSTATIC ENERGY = -0.0019140824
REPULSION ENERGY = -0.0000309578
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0002687378
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0002015533
CHARGE TRANSFER ENRGY = -0.0000251594
--------------------------------------
FINAL EFP ENERGY = -0.0022389374
----------------------------------------
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)
0.567615 -3.191237 5.579497 6.452672
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
5.263374 4.332527 -1.040724 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
8.477265 2.707022 2.167277 9.159098
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.849407 4.782720 -0.424882 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.044880 -0.484215 7.746774 11.918759
cpu time efp_dimer (s)= 1.96 nproc= 8
energy of the separated dimer 143 114, L1= 780 is -4559.039417155
CPU 0: STEP CPU TIME= 2.96 TOTAL CPU TIME= 2143.7 ( 35.7 MIN)
TOTAL WALL CLOCK TIME= 1754.0 SECONDS, CPU UTILIZATION IS 122.22%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = -0.0000713272
CHARGE-DIPOLE = -0.0000492370
CHARGE-QUADRUPOLE = -0.0001467318
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = -0.0000108380
DIPOLE-QUADRUPOLE = -0.0000413119
QUADRUPOLE-QUADRUPOLE = -0.0000072544
OVERLAP PEN. ENERGY = -0.0000001567
--------------
ELECTROSTATIC ENERGY = -0.0003268568
REPULSION ENERGY = -0.0000079538
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0001377603
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0001033202
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = -0.0004725709
----------------------------------------
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)
0.695186 -3.342795 -6.090822 6.982526
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
5.263374 4.332527 -1.040724 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
8.477265 2.707022 2.167277 9.159098
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.991141 6.579554 -3.148331 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.172451 -0.635772 -3.923545 9.996613
cpu time efp_dimer (s)= 0.07 nproc= 8
energy of the separated dimer 155 114, L1= 780 is -4559.022994210
CPU 0: STEP CPU TIME= 0.09 TOTAL CPU TIME= 2143.8 ( 35.7 MIN)
TOTAL WALL CLOCK TIME= 1754.1 SECONDS, CPU UTILIZATION IS 122.22%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = -0.0015094354
CHARGE-DIPOLE = -0.0009620771
CHARGE-QUADRUPOLE = -0.0001060571
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = -0.0001516923
DIPOLE-QUADRUPOLE = -0.0000401341
QUADRUPOLE-QUADRUPOLE = 0.0000059829
OVERLAP PEN. ENERGY = -0.0000000020
--------------
ELECTROSTATIC ENERGY = -0.0027634153
REPULSION ENERGY = -0.0000002298
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0000663023
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000497267
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = -0.0028299473
----------------------------------------
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)
18.937224 -5.732324 4.153837 20.217131
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.977238 -3.622978 5.729009 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-4.247002 8.110444 -14.992183 17.566499
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
3.744674 -0.145676 -0.696423 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
14.690222 2.378119 -10.838346 18.409992
cpu time efp_dimer (s)= 0.07 nproc= 8
energy of the separated dimer 139 6, L1= 780 is -4559.054517632
CPU 0: STEP CPU TIME= 0.10 TOTAL CPU TIME= 2143.9 ( 35.7 MIN)
TOTAL WALL CLOCK TIME= 1754.2 SECONDS, CPU UTILIZATION IS 122.21%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0017909148
CHARGE-DIPOLE = 0.0012994775
CHARGE-QUADRUPOLE = -0.0003492639
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0002369474
DIPOLE-QUADRUPOLE = -0.0001264763
QUADRUPOLE-QUADRUPOLE = 0.0000107397
OVERLAP PEN. ENERGY = -0.0000139152
--------------
ELECTROSTATIC ENERGY = 0.0028484241
REPULSION ENERGY = -0.0002691931
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0004676571
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0003507428
CHARGE TRANSFER ENRGY = -0.0000267471
--------------------------------------
FINAL EFP ENERGY = 0.0020848267
----------------------------------------
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)
0.432487 -17.923953 3.871386 18.342376
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
3.358304 0.758024 5.456604 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.790880 -6.513747 -3.597683 9.429025
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.116193 4.316775 3.301075 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.223367 -24.437700 0.273703 25.219167
cpu time efp_dimer (s)= 1.97 nproc= 8
energy of the separated dimer 138 92, L1= 780 is -4559.033788924
CPU 0: STEP CPU TIME= 2.96 TOTAL CPU TIME= 2146.8 ( 35.8 MIN)
TOTAL WALL CLOCK TIME= 1756.2 SECONDS, CPU UTILIZATION IS 122.24%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0017136936
CHARGE-DIPOLE = 0.0010632988
CHARGE-QUADRUPOLE = 0.0001996797
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0001645342
DIPOLE-QUADRUPOLE = 0.0000657202
QUADRUPOLE-QUADRUPOLE = -0.0000009827
OVERLAP PEN. ENERGY = -0.0000000295
--------------
ELECTROSTATIC ENERGY = 0.0032059144
REPULSION ENERGY = -0.0000040246
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0001333333
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0001000000
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = 0.0030685564
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-1.771597 0.897440 -5.416300 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.966878 -3.149170 -3.908424 5.111546
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-8.197283 -5.146932 -7.080985 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.708466 8.917224 -3.768705 11.778095
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-4.984440 -2.124746 -6.248642 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-7.675344 5.768055 -7.677129 12.293074
cpu time efp_dimer (s)= 0.07 nproc= 8
energy of the separated dimer 95 36, L1= 780 is -4559.012642775
CPU 0: STEP CPU TIME= 0.09 TOTAL CPU TIME= 2146.9 ( 35.8 MIN)
TOTAL WALL CLOCK TIME= 1756.4 SECONDS, CPU UTILIZATION IS 122.24%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = -0.0025870492
CHARGE-DIPOLE = -0.0015761459
CHARGE-QUADRUPOLE = -0.0001049458
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = -0.0002402382
DIPOLE-QUADRUPOLE = -0.0000315113
QUADRUPOLE-QUADRUPOLE = -0.0000024857
OVERLAP PEN. ENERGY = -0.0000000976
--------------
ELECTROSTATIC ENERGY = -0.0045424736
REPULSION ENERGY = -0.0000051431
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0001337905
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0001003429
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = -0.0046814072
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
2.105441 2.081255 3.046020 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.375976 9.742853 8.021869 14.617749
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-2.235704 6.677927 1.906504 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
17.634948 0.940209 18.489522 25.568296
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-0.065131 4.379591 2.476262 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
25.010923 10.683062 26.511390 37.980626
cpu time efp_dimer (s)= 0.07 nproc= 8
energy of the separated dimer 48 16, L1= 780 is -4559.058322634
CPU 0: STEP CPU TIME= 0.10 TOTAL CPU TIME= 2147.0 ( 35.8 MIN)
TOTAL WALL CLOCK TIME= 1756.5 SECONDS, CPU UTILIZATION IS 122.23%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0022685800
CHARGE-DIPOLE = 0.0013889347
CHARGE-QUADRUPOLE = 0.0001864173
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0002146357
DIPOLE-QUADRUPOLE = 0.0000538274
QUADRUPOLE-QUADRUPOLE = 0.0000054749
OVERLAP PEN. ENERGY = -0.0000000001
--------------
ELECTROSTATIC ENERGY = 0.0041178698
REPULSION ENERGY = -0.0000000185
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0000682740
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000512055
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = 0.0040495773
----------------------------------------
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)
-7.981701 0.477327 8.142187 11.411862
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
4.244807 7.791423 -7.922690 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.131274 7.576980 3.238257 10.897339
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
3.993909 7.108410 -6.078749 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.850427 8.054307 11.380444 13.968164
cpu time efp_dimer (s)= 0.07 nproc= 8
energy of the separated dimer 133 87, L1= 780 is -4559.054275243
CPU 0: STEP CPU TIME= 0.09 TOTAL CPU TIME= 2147.1 ( 35.8 MIN)
TOTAL WALL CLOCK TIME= 1756.6 SECONDS, CPU UTILIZATION IS 122.23%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = -0.0007656615
CHARGE-DIPOLE = -0.0003196873
CHARGE-QUADRUPOLE = -0.0001371999
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = -0.0000193267
DIPOLE-QUADRUPOLE = -0.0000636424
QUADRUPOLE-QUADRUPOLE = 0.0000262939
OVERLAP PEN. ENERGY = -0.0000130026
--------------
ELECTROSTATIC ENERGY = -0.0012922265
REPULSION ENERGY = -0.0003772788
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0004348834
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0003261625
CHARGE TRANSFER ENRGY = 0.0000159945
--------------------------------------
FINAL EFP ENERGY = -0.0020883942
----------------------------------------
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)
-7.981701 0.477327 8.142187 11.411862
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.772929 -0.343911 2.350119 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-10.987689 7.861319 8.125758 15.765709
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
1.485041 3.040743 -0.942344 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-18.969390 8.338646 16.267945 26.344199
cpu time efp_dimer (s)= 1.92 nproc= 8
energy of the separated dimer 133 22, L1= 780 is -4559.056311139
CPU 0: STEP CPU TIME= 2.85 TOTAL CPU TIME= 2150.0 ( 35.8 MIN)
TOTAL WALL CLOCK TIME= 1758.6 SECONDS, CPU UTILIZATION IS 122.25%
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 2150.0 ( 35.8 MIN)
TOTAL WALL CLOCK TIME= 1758.6 SECONDS, CPU UTILIZATION IS 122.25%
Dimer synchronisation for layer 1 took 1.6 s.
CPU 0: STEP CPU TIME= 0.67 TOTAL CPU TIME= 2150.6 ( 35.8 MIN)
TOTAL WALL CLOCK TIME= 1760.2 SECONDS, CPU UTILIZATION IS 122.18%
Tim2: IJ 932.52 lump 1.59 DFTBg 0.00 PCM 0.00 SCZV 0.00 total 934.11
Data exchange of 100054 words took 0.0 s.
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 2150.6 ( 35.8 MIN)
TOTAL WALL CLOCK TIME= 1760.2 SECONDS, CPU UTILIZATION IS 122.18%
FMO properties
###############
Layer 1 converged in 1 iterations (max 30, conv .10E-06).
Nuclear repulsion energy: 16464628.619765133
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) -6410.111218781 -6405.259372882 -15.78277 23.41366 -1.47284
2(MSN2 ,L1) -5232.259584566 -5228.316004291 40.72390 -29.62838 -20.35902
3(MSN3 ,L1) -6030.811951854 -6026.485936107 -24.39756 21.38902 19.61546
4(MSN4 ,L1) -6252.179119305 -6247.690443363 13.09574 -18.38099 16.21003
5(MSN5 ,L1) -7053.541390386 -7048.107737910 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 -5.394812 6.433800 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)= -380864.957592862
Total energy of the molecule: Euncorr(1)= -380254.638406407
Total energy of the molecule: Edelta (1)= -610.319186455
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 -11993.156711097 -11984.185005097-350.78590775-350.60962792 0.03462688 0.000 0.000
3 1 C1 0 0.80 0.0000 -12440.909596729 -12431.717599843 0.01357391 0.02770915 0.00486765 0.000 8.518
3 2 C1 0 0.00 0.0000 -11614.421231558 -11605.970773518-351.34969514-351.16883312 0.02860008 0.000 0.000
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15 14 C1 0 0.88 0.0000 -4566.707292111 -4559.039854320 0.01115197 0.01359075 0.00032381 0.000 6.998
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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 S1 0 1.03 0.0000 -5090.961796630 -5090.961130569 -0.01106006 -0.01039400 0.00000000 0.000 -6.940
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 S1 0 1.35 0.0000 -5090.952572464 -5090.952368888 0.00300815 0.00321173 0.00000000 0.000 1.888
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 S1 0 1.63 0.0000 -5090.958161284 -5090.958030883 -0.00375242 -0.00362202 0.00000000 0.000 -2.355
158 93 S1 0 1.03 0.0000 -5090.951662668 -5090.951322558 -0.00296186 -0.00262175 0.00000000 0.000 -1.859
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 S1 0 1.31 0.0000 -5090.911126821 -5090.910915677 -0.00474028 -0.00452913 0.00000000 0.000 -2.975
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 S1 0 1.47 0.0000 -5090.930127397 -5090.929928789 0.00209276 0.00229137 0.00000000 0.000 1.313
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 S1 0 1.03 0.0000 -5090.951770728 -5090.951314329 0.00095142 0.00140782 0.00000000 0.000 0.597
158 116 C1 0 0.84 0.0000 -5099.521741556 -5090.956335462 -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 S1 0 1.05 0.0000 -5090.969543765 -5090.969134932 -0.00308612 -0.00267729 0.00000000 0.000 -1.937
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 S1 0 1.86 0.0000 -5090.957674737 -5090.957595013 -0.00269873 -0.00261901 0.00000000 0.000 -1.693
158 135 C1 0 0.85 0.0000 -5099.511999850 -5090.948881093 0.00021621 0.00332264 0.00053748 0.000 0.136
158 136 S1 0 1.35 0.0000 -5090.964206642 -5090.964011144 -0.00394330 -0.00374780 0.00000000 0.000 -2.474
158 137 S1 0 1.60 0.0000 -5090.947689280 -5090.947603569 -0.00102010 -0.00093439 0.00000000 0.000 -0.640
158 138 S1 0 1.13 0.0000 -5090.941541898 -5090.941371013 -0.00186069 -0.00168981 0.00000000 0.000 -1.168
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 -5099.518561765 -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 S1 0 1.30 0.0000 -5090.955592553 -5090.955365894 0.00039835 0.00062501 0.00000000 0.000 0.250
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 S1 0 1.02 0.0000 -5090.963289819 -5090.962846966 -0.00526898 -0.00482613 0.00000000 0.000 -3.306
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 S1 0 1.63 0.0000 -5090.937916295 -5090.937824005 -0.00460306 -0.00451077 0.00000000 0.000 -2.888
158 155 C1 0 0.85 0.0000 -5099.501180665 -5090.936434872 -0.01157817 -0.00848303 0.00065498 0.000 -7.265
158 156 S1 0 1.66 0.0000 -5090.955164609 -5090.955061782 -0.00020089 -0.00009807 0.00000000 0.000 -0.126
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)= -382235.178290833
Total energy of the molecule: Etotpol(2)= -3.851018397
Total energy of the molecule: Euncorr(2)= -381597.583817993
Total energy of the molecule: Edelta (2)= -637.594472840
The backbone energy EBBcorr (2)= -382268.561451062
The backbone energy EBBuncorr(2)= -381657.544917707
Dipole moment D(xyz),DA(2)= 196.4914283 -53.9918782 151.0125356 253.6312090
ONE ELECTRON ENERGY = -35553489.2881832346
TWO ELECTRON ENERGY = 18706625.4901272655
NUCLEAR REPULSION ENERGY = 16464628.6197651327
-----------------------
TOTAL ENERGY = -382235.1782908334
ELECTRON-ELECTRON POTENTIAL ENERGY = 18706625.4901272655
NUCLEUS-ELECTRON POTENTIAL ENERGY = -35935684.5634135455
NUCLEUS-NUCLEUS POTENTIAL ENERGY = 16464628.6197651327
-----------------------
TOTAL POTENTIAL ENERGY = -764430.4535211474
TOTAL KINETIC ENERGY = 382195.2752303146
VIRIAL RATIO (V/T) = 2.0001044049
The best FMO energy is -382235.178290833
Done with FMO properties.
CPU 0: STEP CPU TIME= 0.05 TOTAL CPU TIME= 2150.7 ( 35.8 MIN)
TOTAL WALL CLOCK TIME= 1760.7 SECONDS, CPU UTILIZATION IS 122.15%
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 2150.7 ( 35.8 MIN)
TOTAL WALL CLOCK TIME= 1760.7 SECONDS, CPU UTILIZATION IS 122.15%
Tim: ini 0.31 mon 818.73 dim 939.96 trim 0.00 prp 0.49 total 1759.51
Total timing statistics in pairs (CPU,wall) for each rank, sec
Rank total SCF corr DFT CPHF EFP solv ESP geom
-------------------------------------------------------------------------------
1 2150.7 335.8 1034.6 0.0 0.0 0.0 0.0 0.0 0.0
1 1760.7 333.4 605.3 0.0 0.0 0.0 0.0 0.0 0.0
2 2168.1 342.9 1038.4 0.0 0.0 0.0 0.0 0.0 0.0
2 1760.7 334.0 611.2 0.0 0.0 0.0 0.0 0.0 0.0
3 2139.3 341.7 1028.6 0.0 0.0 0.0 0.0 0.0 0.0
3 1760.7 334.0 611.7 0.0 0.0 0.0 0.0 0.0 0.0
4 2055.2 332.4 1032.4 0.0 0.0 0.0 0.0 0.0 0.0
4 1760.7 333.9 611.1 0.0 0.0 0.0 0.0 0.0 0.0
5 2063.6 333.6 1041.9 0.0 0.0 0.0 0.0 0.0 0.0
5 1760.7 334.1 615.0 0.0 0.0 0.0 0.0 0.0 0.0
6 2075.8 329.9 1030.2 0.0 0.0 0.0 0.0 0.0 0.0
6 1760.7 334.0 616.4 0.0 0.0 0.0 0.0 0.0 0.0
7 2063.2 329.1 1045.4 0.0 0.0 0.0 0.0 0.0 0.0
7 1760.7 334.1 623.5 0.0 0.0 0.0 0.0 0.0 0.0
8 2102.8 334.2 1051.9 0.0 0.0 0.0 0.0 0.0 0.0
8 1760.7 334.1 634.8 0.0 0.0 0.0 0.0 0.0 0.0
9 1732.7 269.8 1030.3 0.0 0.0 0.0 0.0 0.0 0.0
9 1760.7 268.4 596.0 0.0 0.0 0.0 0.0 0.0 0.0
10 1924.4 277.1 1030.5 0.0 0.0 0.0 0.0 0.0 0.0
10 1760.7 269.2 598.8 0.0 0.0 0.0 0.0 0.0 0.0
11 1921.4 278.8 1028.5 0.0 0.0 0.0 0.0 0.0 0.0
11 1760.7 269.1 601.7 0.0 0.0 0.0 0.0 0.0 0.0
12 1927.3 277.0 1032.3 0.0 0.0 0.0 0.0 0.0 0.0
12 1760.7 269.2 598.9 0.0 0.0 0.0 0.0 0.0 0.0
13 1913.3 277.3 1023.2 0.0 0.0 0.0 0.0 0.0 0.0
13 1760.7 269.2 605.8 0.0 0.0 0.0 0.0 0.0 0.0
14 1927.6 269.3 1045.3 0.0 0.0 0.0 0.0 0.0 0.0
14 1760.7 269.2 606.6 0.0 0.0 0.0 0.0 0.0 0.0
15 1926.2 270.6 1043.2 0.0 0.0 0.0 0.0 0.0 0.0
15 1760.7 269.2 607.9 0.0 0.0 0.0 0.0 0.0 0.0
16 1936.0 274.7 1054.0 0.0 0.0 0.0 0.0 0.0 0.0
16 1760.7 269.2 620.5 0.0 0.0 0.0 0.0 0.0 0.0
17 1744.3 234.2 1093.9 0.0 0.0 0.0 0.0 0.0 0.0
17 1760.8 226.4 636.8 0.0 0.0 0.0 0.0 0.0 0.0
18 1954.8 236.4 1101.2 0.0 0.0 0.0 0.0 0.0 0.0
18 1760.8 227.1 640.7 0.0 0.0 0.0 0.0 0.0 0.0
19 1947.2 237.6 1095.8 0.0 0.0 0.0 0.0 0.0 0.0
19 1760.8 227.0 641.1 0.0 0.0 0.0 0.0 0.0 0.0
20 1943.3 236.4 1094.4 0.0 0.0 0.0 0.0 0.0 0.0
20 1760.8 227.1 641.4 0.0 0.0 0.0 0.0 0.0 0.0
21 1941.8 238.9 1098.5 0.0 0.0 0.0 0.0 0.0 0.0
21 1760.8 227.0 642.9 0.0 0.0 0.0 0.0 0.0 0.0
22 1935.4 236.1 1087.3 0.0 0.0 0.0 0.0 0.0 0.0
22 1760.8 227.0 647.6 0.0 0.0 0.0 0.0 0.0 0.0
23 1949.0 237.8 1101.7 0.0 0.0 0.0 0.0 0.0 0.0
23 1760.8 227.0 651.8 0.0 0.0 0.0 0.0 0.0 0.0
24 1956.7 238.3 1114.8 0.0 0.0 0.0 0.0 0.0 0.0
24 1760.8 227.1 660.8 0.0 0.0 0.0 0.0 0.0 0.0
25 1723.6 262.8 1039.3 0.0 0.0 0.0 0.0 0.0 0.0
25 1760.7 257.4 605.7 0.0 0.0 0.0 0.0 0.0 0.0
26 1929.8 266.8 1047.0 0.0 0.0 0.0 0.0 0.0 0.0
26 1760.7 258.4 607.8 0.0 0.0 0.0 0.0 0.0 0.0
27 1917.3 265.8 1037.1 0.0 0.0 0.0 0.0 0.0 0.0
27 1760.7 258.4 605.7 0.0 0.0 0.0 0.0 0.0 0.0
28 1929.5 265.3 1051.3 0.0 0.0 0.0 0.0 0.0 0.0
28 1760.7 258.4 614.2 0.0 0.0 0.0 0.0 0.0 0.0
29 1912.0 265.2 1036.2 0.0 0.0 0.0 0.0 0.0 0.0
29 1760.7 258.4 615.7 0.0 0.0 0.0 0.0 0.0 0.0
30 1907.4 263.1 1032.0 0.0 0.0 0.0 0.0 0.0 0.0
30 1760.7 258.5 618.6 0.0 0.0 0.0 0.0 0.0 0.0
31 1924.9 264.4 1050.7 0.0 0.0 0.0 0.0 0.0 0.0
31 1760.7 258.5 619.8 0.0 0.0 0.0 0.0 0.0 0.0
32 1927.4 263.4 1058.8 0.0 0.0 0.0 0.0 0.0 0.0
32 1760.7 258.5 633.2 0.0 0.0 0.0 0.0 0.0 0.0
33 1744.9 233.4 1091.4 0.0 0.0 0.0 0.0 0.0 0.0
33 1760.7 225.9 640.7 0.0 0.0 0.0 0.0 0.0 0.0
34 1939.2 235.3 1092.1 0.0 0.0 0.0 0.0 0.0 0.0
34 1760.7 226.8 644.0 0.0 0.0 0.0 0.0 0.0 0.0
35 1938.1 236.2 1090.8 0.0 0.0 0.0 0.0 0.0 0.0
35 1760.7 226.7 645.4 0.0 0.0 0.0 0.0 0.0 0.0
36 1941.1 235.6 1094.1 0.0 0.0 0.0 0.0 0.0 0.0
36 1760.7 226.5 645.0 0.0 0.0 0.0 0.0 0.0 0.0
37 1934.6 238.4 1085.3 0.0 0.0 0.0 0.0 0.0 0.0
37 1760.7 226.6 648.4 0.0 0.0 0.0 0.0 0.0 0.0
38 1926.9 235.2 1083.7 0.0 0.0 0.0 0.0 0.0 0.0
38 1760.7 226.7 651.8 0.0 0.0 0.0 0.0 0.0 0.0
39 1945.7 236.7 1105.1 0.0 0.0 0.0 0.0 0.0 0.0
39 1760.7 226.7 656.2 0.0 0.0 0.0 0.0 0.0 0.0
40 1953.5 237.2 1110.5 0.0 0.0 0.0 0.0 0.0 0.0
40 1760.7 226.6 659.5 0.0 0.0 0.0 0.0 0.0 0.0
41 1656.7 402.7 837.0 0.0 0.0 0.0 0.0 0.0 0.0
41 1760.8 394.0 483.3 0.0 0.0 0.0 0.0 0.0 0.0
42 1844.4 403.8 836.3 0.0 0.0 0.0 0.0 0.0 0.0
42 1760.8 394.8 485.5 0.0 0.0 0.0 0.0 0.0 0.0
43 1817.0 372.2 836.5 0.0 0.0 0.0 0.0 0.0 0.0
43 1760.8 394.7 485.9 0.0 0.0 0.0 0.0 0.0 0.0
44 1840.0 397.8 833.7 0.0 0.0 0.0 0.0 0.0 0.0
44 1760.8 394.7 488.3 0.0 0.0 0.0 0.0 0.0 0.0
45 1841.4 401.0 832.0 0.0 0.0 0.0 0.0 0.0 0.0
45 1760.8 394.7 487.5 0.0 0.0 0.0 0.0 0.0 0.0
46 1810.6 376.5 829.2 0.0 0.0 0.0 0.0 0.0 0.0
46 1760.8 394.7 491.7 0.0 0.0 0.0 0.0 0.0 0.0
47 1832.0 374.7 852.8 0.0 0.0 0.0 0.0 0.0 0.0
47 1760.8 394.8 496.2 0.0 0.0 0.0 0.0 0.0 0.0
48 1830.5 377.4 849.3 0.0 0.0 0.0 0.0 0.0 0.0
48 1760.8 394.7 499.1 0.0 0.0 0.0 0.0 0.0 0.0
49 1725.4 274.9 1029.4 0.0 0.0 0.0 0.0 0.0 0.0
49 1760.8 272.4 596.8 0.0 0.0 0.0 0.0 0.0 0.0
50 1925.8 281.2 1032.0 0.0 0.0 0.0 0.0 0.0 0.0
50 1760.8 273.2 600.0 0.0 0.0 0.0 0.0 0.0 0.0
51 1941.6 283.1 1046.9 0.0 0.0 0.0 0.0 0.0 0.0
51 1760.8 273.0 602.5 0.0 0.0 0.0 0.0 0.0 0.0
52 1920.4 282.3 1028.0 0.0 0.0 0.0 0.0 0.0 0.0
52 1760.8 273.1 601.2 0.0 0.0 0.0 0.0 0.0 0.0
53 1919.6 281.8 1029.6 0.0 0.0 0.0 0.0 0.0 0.0
53 1760.8 273.1 602.9 0.0 0.0 0.0 0.0 0.0 0.0
54 1908.6 272.9 1032.5 0.0 0.0 0.0 0.0 0.0 0.0
54 1760.8 273.0 608.9 0.0 0.0 0.0 0.0 0.0 0.0
55 1923.8 273.7 1043.7 0.0 0.0 0.0 0.0 0.0 0.0
55 1760.8 273.0 613.1 0.0 0.0 0.0 0.0 0.0 0.0
56 1932.1 279.5 1049.1 0.0 0.0 0.0 0.0 0.0 0.0
56 1760.8 273.1 619.0 0.0 0.0 0.0 0.0 0.0 0.0
57 1999.7 312.8 1019.0 0.0 0.0 0.0 0.0 0.0 0.0
57 1760.8 313.8 597.4 0.0 0.0 0.0 0.0 0.0 0.0
58 2078.1 321.9 1021.0 0.0 0.0 0.0 0.0 0.0 0.0
58 1760.8 314.5 600.1 0.0 0.0 0.0 0.0 0.0 0.0
59 2092.3 324.3 1030.6 0.0 0.0 0.0 0.0 0.0 0.0
59 1760.8 314.6 605.9 0.0 0.0 0.0 0.0 0.0 0.0
60 2079.3 322.1 1021.4 0.0 0.0 0.0 0.0 0.0 0.0
60 1760.8 314.5 608.6 0.0 0.0 0.0 0.0 0.0 0.0
61 2045.1 318.7 1015.3 0.0 0.0 0.0 0.0 0.0 0.0
61 1760.8 314.6 610.3 0.0 0.0 0.0 0.0 0.0 0.0
62 2013.1 310.6 1025.4 0.0 0.0 0.0 0.0 0.0 0.0
62 1760.8 314.5 612.2 0.0 0.0 0.0 0.0 0.0 0.0
63 2031.4 311.7 1029.0 0.0 0.0 0.0 0.0 0.0 0.0
63 1760.8 314.5 620.4 0.0 0.0 0.0 0.0 0.0 0.0
64 2077.4 319.7 1034.4 0.0 0.0 0.0 0.0 0.0 0.0
64 1760.8 314.6 612.1 0.0 0.0 0.0 0.0 0.0 0.0
65 1725.7 261.6 1044.8 0.0 0.0 0.0 0.0 0.0 0.0
65 1760.7 259.9 608.8 0.0 0.0 0.0 0.0 0.0 0.0
66 1928.6 266.7 1048.5 0.0 0.0 0.0 0.0 0.0 0.0
66 1760.7 260.6 612.9 0.0 0.0 0.0 0.0 0.0 0.0
67 1928.2 270.6 1047.2 0.0 0.0 0.0 0.0 0.0 0.0
67 1760.7 260.6 616.1 0.0 0.0 0.0 0.0 0.0 0.0
68 1919.0 268.2 1042.8 0.0 0.0 0.0 0.0 0.0 0.0
68 1760.7 260.6 615.2 0.0 0.0 0.0 0.0 0.0 0.0
69 1907.2 268.4 1034.9 0.0 0.0 0.0 0.0 0.0 0.0
69 1760.7 260.5 617.9 0.0 0.0 0.0 0.0 0.0 0.0
70 1907.9 262.8 1036.5 0.0 0.0 0.0 0.0 0.0 0.0
70 1760.7 260.6 622.6 0.0 0.0 0.0 0.0 0.0 0.0
71 1926.2 263.9 1058.7 0.0 0.0 0.0 0.0 0.0 0.0
71 1760.7 260.7 630.0 0.0 0.0 0.0 0.0 0.0 0.0
72 1934.8 265.7 1067.5 0.0 0.0 0.0 0.0 0.0 0.0
72 1760.7 260.7 625.4 0.0 0.0 0.0 0.0 0.0 0.0
73 1697.9 280.9 993.1 0.0 0.0 0.0 0.0 0.0 0.0
73 1760.8 281.9 579.2 0.0 0.0 0.0 0.0 0.0 0.0
74 1899.6 291.0 993.0 0.0 0.0 0.0 0.0 0.0 0.0
74 1760.8 282.5 583.4 0.0 0.0 0.0 0.0 0.0 0.0
75 1894.1 289.8 992.2 0.0 0.0 0.0 0.0 0.0 0.0
75 1760.8 282.4 589.2 0.0 0.0 0.0 0.0 0.0 0.0
76 1889.3 281.8 1015.4 0.0 0.0 0.0 0.0 0.0 0.0
76 1760.8 282.5 585.4 0.0 0.0 0.0 0.0 0.0 0.0
77 1889.6 278.5 996.9 0.0 0.0 0.0 0.0 0.0 0.0
77 1760.8 282.4 586.8 0.0 0.0 0.0 0.0 0.0 0.0
78 1875.7 276.0 990.1 0.0 0.0 0.0 0.0 0.0 0.0
78 1760.8 282.4 595.4 0.0 0.0 0.0 0.0 0.0 0.0
79 1894.9 282.2 1009.9 0.0 0.0 0.0 0.0 0.0 0.0
79 1760.8 282.5 602.9 0.0 0.0 0.0 0.0 0.0 0.0
80 1901.8 282.0 1014.5 0.0 0.0 0.0 0.0 0.0 0.0
80 1760.8 282.5 599.2 0.0 0.0 0.0 0.0 0.0 0.0
81 1753.1 233.2 1090.5 0.0 0.0 0.0 0.0 0.0 0.0
81 1760.8 225.8 635.4 0.0 0.0 0.0 0.0 0.0 0.0
82 1945.9 235.7 1091.1 0.0 0.0 0.0 0.0 0.0 0.0
82 1760.8 226.5 638.4 0.0 0.0 0.0 0.0 0.0 0.0
83 1937.6 236.6 1087.0 0.0 0.0 0.0 0.0 0.0 0.0
83 1760.8 226.4 640.6 0.0 0.0 0.0 0.0 0.0 0.0
84 1946.2 236.4 1091.0 0.0 0.0 0.0 0.0 0.0 0.0
84 1760.8 226.5 640.5 0.0 0.0 0.0 0.0 0.0 0.0
85 1943.0 238.7 1087.7 0.0 0.0 0.0 0.0 0.0 0.0
85 1760.8 226.5 638.4 0.0 0.0 0.0 0.0 0.0 0.0
86 1936.5 235.3 1087.9 0.0 0.0 0.0 0.0 0.0 0.0
86 1760.8 226.6 645.1 0.0 0.0 0.0 0.0 0.0 0.0
87 1955.1 237.3 1108.0 0.0 0.0 0.0 0.0 0.0 0.0
87 1760.8 226.5 649.8 0.0 0.0 0.0 0.0 0.0 0.0
88 1951.5 237.5 1109.7 0.0 0.0 0.0 0.0 0.0 0.0
88 1760.8 226.5 663.4 0.0 0.0 0.0 0.0 0.0 0.0
89 1745.9 233.3 1091.2 0.0 0.0 0.0 0.0 0.0 0.0
89 1760.8 225.9 639.0 0.0 0.0 0.0 0.0 0.0 0.0
90 1942.6 235.1 1091.5 0.0 0.0 0.0 0.0 0.0 0.0
90 1760.8 226.7 642.6 0.0 0.0 0.0 0.0 0.0 0.0
91 1939.3 236.0 1093.2 0.0 0.0 0.0 0.0 0.0 0.0
91 1760.8 226.6 642.4 0.0 0.0 0.0 0.0 0.0 0.0
92 1944.4 235.4 1093.3 0.0 0.0 0.0 0.0 0.0 0.0
92 1760.8 226.6 643.1 0.0 0.0 0.0 0.0 0.0 0.0
93 1935.4 238.0 1081.9 0.0 0.0 0.0 0.0 0.0 0.0
93 1760.8 226.7 646.5 0.0 0.0 0.0 0.0 0.0 0.0
94 1917.4 234.7 1088.8 0.0 0.0 0.0 0.0 0.0 0.0
94 1760.8 226.6 650.2 0.0 0.0 0.0 0.0 0.0 0.0
95 1946.1 237.0 1100.7 0.0 0.0 0.0 0.0 0.0 0.0
95 1760.8 226.7 659.3 0.0 0.0 0.0 0.0 0.0 0.0
96 1961.1 237.3 1111.5 0.0 0.0 0.0 0.0 0.0 0.0
96 1760.8 226.7 655.7 0.0 0.0 0.0 0.0 0.0 0.0
97 1725.7 259.2 1043.0 0.0 0.0 0.0 0.0 0.0 0.0
97 1760.7 255.7 610.3 0.0 0.0 0.0 0.0 0.0 0.0
98 1929.6 265.6 1049.8 0.0 0.0 0.0 0.0 0.0 0.0
98 1760.7 256.4 613.9 0.0 0.0 0.0 0.0 0.0 0.0
99 1908.2 266.8 1035.1 0.0 0.0 0.0 0.0 0.0 0.0
99 1760.7 256.2 620.9 0.0 0.0 0.0 0.0 0.0 0.0
100 1924.8 265.1 1045.7 0.0 0.0 0.0 0.0 0.0 0.0
100 1760.7 256.3 613.2 0.0 0.0 0.0 0.0 0.0 0.0
101 1917.5 264.8 1041.3 0.0 0.0 0.0 0.0 0.0 0.0
101 1760.7 256.3 620.6 0.0 0.0 0.0 0.0 0.0 0.0
102 1912.5 259.1 1046.4 0.0 0.0 0.0 0.0 0.0 0.0
102 1760.7 256.2 623.5 0.0 0.0 0.0 0.0 0.0 0.0
103 1922.4 261.9 1057.2 0.0 0.0 0.0 0.0 0.0 0.0
103 1760.7 256.3 631.6 0.0 0.0 0.0 0.0 0.0 0.0
104 1931.4 263.8 1063.6 0.0 0.0 0.0 0.0 0.0 0.0
104 1760.7 256.4 633.6 0.0 0.0 0.0 0.0 0.0 0.0
105 1754.9 236.5 1093.1 0.0 0.0 0.0 0.0 0.0 0.0
105 1760.8 229.5 637.9 0.0 0.0 0.0 0.0 0.0 0.0
106 1944.8 238.5 1093.6 0.0 0.0 0.0 0.0 0.0 0.0
106 1760.8 230.6 641.7 0.0 0.0 0.0 0.0 0.0 0.0
107 1940.5 239.0 1088.8 0.0 0.0 0.0 0.0 0.0 0.0
107 1760.8 230.5 641.9 0.0 0.0 0.0 0.0 0.0 0.0
108 1946.9 238.9 1093.2 0.0 0.0 0.0 0.0 0.0 0.0
108 1760.8 230.6 642.1 0.0 0.0 0.0 0.0 0.0 0.0
109 1949.5 240.9 1096.3 0.0 0.0 0.0 0.0 0.0 0.0
109 1760.8 230.5 643.9 0.0 0.0 0.0 0.0 0.0 0.0
110 1936.5 237.9 1087.1 0.0 0.0 0.0 0.0 0.0 0.0
110 1760.8 230.5 648.2 0.0 0.0 0.0 0.0 0.0 0.0
111 1954.1 240.0 1108.7 0.0 0.0 0.0 0.0 0.0 0.0
111 1760.8 230.6 655.0 0.0 0.0 0.0 0.0 0.0 0.0
112 1955.7 239.8 1110.3 0.0 0.0 0.0 0.0 0.0 0.0
112 1760.8 230.2 658.9 0.0 0.0 0.0 0.0 0.0 0.0
113 1729.7 260.3 1042.6 0.0 0.0 0.0 0.0 0.0 0.0
113 1760.8 260.0 606.0 0.0 0.0 0.0 0.0 0.0 0.0
114 1930.0 267.2 1049.6 0.0 0.0 0.0 0.0 0.0 0.0
114 1760.8 261.0 609.7 0.0 0.0 0.0 0.0 0.0 0.0
115 1923.0 269.8 1040.7 0.0 0.0 0.0 0.0 0.0 0.0
115 1760.8 261.0 611.5 0.0 0.0 0.0 0.0 0.0 0.0
116 1921.3 267.1 1042.1 0.0 0.0 0.0 0.0 0.0 0.0
116 1760.8 260.9 610.8 0.0 0.0 0.0 0.0 0.0 0.0
117 1908.7 266.8 1029.9 0.0 0.0 0.0 0.0 0.0 0.0
117 1760.8 261.0 615.9 0.0 0.0 0.0 0.0 0.0 0.0
118 1907.0 262.4 1034.7 0.0 0.0 0.0 0.0 0.0 0.0
118 1760.8 261.0 619.4 0.0 0.0 0.0 0.0 0.0 0.0
119 1928.5 263.6 1057.7 0.0 0.0 0.0 0.0 0.0 0.0
119 1760.8 261.1 623.6 0.0 0.0 0.0 0.0 0.0 0.0
120 1929.9 265.3 1060.5 0.0 0.0 0.0 0.0 0.0 0.0
120 1760.8 261.0 628.1 0.0 0.0 0.0 0.0 0.0 0.0
121 1748.9 238.5 1101.7 0.0 0.0 0.0 0.0 0.0 0.0
121 1760.7 230.3 642.6 0.0 0.0 0.0 0.0 0.0 0.0
122 1951.3 240.5 1099.2 0.0 0.0 0.0 0.0 0.0 0.0
122 1760.7 231.3 645.7 0.0 0.0 0.0 0.0 0.0 0.0
123 1952.3 241.9 1101.9 0.0 0.0 0.0 0.0 0.0 0.0
123 1760.7 231.3 647.9 0.0 0.0 0.0 0.0 0.0 0.0
124 1954.4 240.9 1107.0 0.0 0.0 0.0 0.0 0.0 0.0
124 1760.7 231.4 647.7 0.0 0.0 0.0 0.0 0.0 0.0
125 1953.6 243.9 1099.6 0.0 0.0 0.0 0.0 0.0 0.0
125 1760.7 231.4 647.0 0.0 0.0 0.0 0.0 0.0 0.0
126 1944.0 240.2 1096.4 0.0 0.0 0.0 0.0 0.0 0.0
126 1760.7 231.4 652.4 0.0 0.0 0.0 0.0 0.0 0.0
127 1963.9 242.1 1116.8 0.0 0.0 0.0 0.0 0.0 0.0
127 1760.7 231.3 658.2 0.0 0.0 0.0 0.0 0.0 0.0
128 1973.5 242.4 1127.0 0.0 0.0 0.0 0.0 0.0 0.0
128 1760.7 231.4 667.8 0.0 0.0 0.0 0.0 0.0 0.0
129 1760.4 238.2 1102.9 0.0 0.0 0.0 0.0 0.0 0.0
129 1760.7 231.0 639.4 0.0 0.0 0.0 0.0 0.0 0.0
130 1950.3 240.7 1101.8 0.0 0.0 0.0 0.0 0.0 0.0
130 1760.7 231.9 642.8 0.0 0.0 0.0 0.0 0.0 0.0
131 1954.4 242.1 1100.5 0.0 0.0 0.0 0.0 0.0 0.0
131 1760.7 231.7 644.7 0.0 0.0 0.0 0.0 0.0 0.0
132 1964.3 241.2 1108.5 0.0 0.0 0.0 0.0 0.0 0.0
132 1760.7 231.8 645.1 0.0 0.0 0.0 0.0 0.0 0.0
133 1951.5 244.2 1097.8 0.0 0.0 0.0 0.0 0.0 0.0
133 1760.7 231.8 645.0 0.0 0.0 0.0 0.0 0.0 0.0
134 1948.6 240.3 1100.7 0.0 0.0 0.0 0.0 0.0 0.0
134 1760.7 231.9 650.0 0.0 0.0 0.0 0.0 0.0 0.0
135 1960.6 242.7 1115.0 0.0 0.0 0.0 0.0 0.0 0.0
135 1760.7 231.9 659.1 0.0 0.0 0.0 0.0 0.0 0.0
136 1971.5 243.0 1125.0 0.0 0.0 0.0 0.0 0.0 0.0
136 1760.7 231.9 657.9 0.0 0.0 0.0 0.0 0.0 0.0
137 1960.9 323.1 1004.7 0.0 0.0 0.0 0.0 0.0 0.0
137 1760.8 322.9 584.8 0.0 0.0 0.0 0.0 0.0 0.0
138 2007.4 330.1 997.9 0.0 0.0 0.0 0.0 0.0 0.0
138 1760.8 323.5 588.6 0.0 0.0 0.0 0.0 0.0 0.0
139 1984.7 328.2 992.2 0.0 0.0 0.0 0.0 0.0 0.0
139 1760.8 323.4 588.8 0.0 0.0 0.0 0.0 0.0 0.0
140 1969.7 320.0 993.7 0.0 0.0 0.0 0.0 0.0 0.0
140 1760.8 323.5 597.8 0.0 0.0 0.0 0.0 0.0 0.0
141 1957.1 318.3 991.6 0.0 0.0 0.0 0.0 0.0 0.0
141 1760.8 323.5 594.7 0.0 0.0 0.0 0.0 0.0 0.0
142 1969.0 313.3 1014.0 0.0 0.0 0.0 0.0 0.0 0.0
142 1760.8 323.5 601.4 0.0 0.0 0.0 0.0 0.0 0.0
143 1974.3 318.1 1009.6 0.0 0.0 0.0 0.0 0.0 0.0
143 1760.8 323.4 608.6 0.0 0.0 0.0 0.0 0.0 0.0
144 1978.5 320.0 1018.9 0.0 0.0 0.0 0.0 0.0 0.0
144 1760.8 323.5 601.3 0.0 0.0 0.0 0.0 0.0 0.0
145 1746.2 234.5 1088.5 0.0 0.0 0.0 0.0 0.0 0.0
145 1760.8 228.1 636.0 0.0 0.0 0.0 0.0 0.0 0.0
146 1936.3 236.7 1087.8 0.0 0.0 0.0 0.0 0.0 0.0
146 1760.8 228.8 639.9 0.0 0.0 0.0 0.0 0.0 0.0
147 1936.8 238.1 1085.5 0.0 0.0 0.0 0.0 0.0 0.0
147 1760.8 228.8 641.7 0.0 0.0 0.0 0.0 0.0 0.0
148 1944.3 237.2 1094.7 0.0 0.0 0.0 0.0 0.0 0.0
148 1760.8 228.9 640.2 0.0 0.0 0.0 0.0 0.0 0.0
149 1948.6 240.2 1094.3 0.0 0.0 0.0 0.0 0.0 0.0
149 1760.8 228.8 642.0 0.0 0.0 0.0 0.0 0.0 0.0
150 1941.3 237.0 1091.6 0.0 0.0 0.0 0.0 0.0 0.0
150 1760.8 228.9 646.3 0.0 0.0 0.0 0.0 0.0 0.0
151 1949.7 239.0 1101.9 0.0 0.0 0.0 0.0 0.0 0.0
151 1760.8 228.9 653.3 0.0 0.0 0.0 0.0 0.0 0.0
152 1945.1 239.1 1101.0 0.0 0.0 0.0 0.0 0.0 0.0
152 1760.8 228.9 656.5 0.0 0.0 0.0 0.0 0.0 0.0
153 1753.9 235.6 1103.3 0.0 0.0 0.0 0.0 0.0 0.0
153 1760.7 228.6 637.7 0.0 0.0 0.0 0.0 0.0 0.0
154 1957.4 238.0 1105.5 0.0 0.0 0.0 0.0 0.0 0.0
154 1760.7 229.4 641.6 0.0 0.0 0.0 0.0 0.0 0.0
155 1948.7 239.8 1099.0 0.0 0.0 0.0 0.0 0.0 0.0
155 1760.7 229.4 641.8 0.0 0.0 0.0 0.0 0.0 0.0
156 1958.7 239.0 1109.7 0.0 0.0 0.0 0.0 0.0 0.0
156 1760.7 229.4 643.5 0.0 0.0 0.0 0.0 0.0 0.0
157 1949.6 242.1 1094.0 0.0 0.0 0.0 0.0 0.0 0.0
157 1760.7 229.5 641.6 0.0 0.0 0.0 0.0 0.0 0.0
158 1939.7 238.4 1090.9 0.0 0.0 0.0 0.0 0.0 0.0
158 1760.7 229.3 647.7 0.0 0.0 0.0 0.0 0.0 0.0
159 1965.4 239.8 1117.5 0.0 0.0 0.0 0.0 0.0 0.0
159 1760.7 229.3 650.7 0.0 0.0 0.0 0.0 0.0 0.0
160 1969.3 240.0 1127.9 0.0 0.0 0.0 0.0 0.0 0.0
160 1760.7 229.3 666.6 0.0 0.0 0.0 0.0 0.0 0.0
161 1750.1 236.7 1103.0 0.0 0.0 0.0 0.0 0.0 0.0
161 1760.8 229.5 639.4 0.0 0.0 0.0 0.0 0.0 0.0
162 1952.0 238.8 1101.2 0.0 0.0 0.0 0.0 0.0 0.0
162 1760.8 230.2 642.9 0.0 0.0 0.0 0.0 0.0 0.0
163 1947.4 240.4 1097.0 0.0 0.0 0.0 0.0 0.0 0.0
163 1760.8 230.1 644.3 0.0 0.0 0.0 0.0 0.0 0.0
164 1948.6 239.1 1101.9 0.0 0.0 0.0 0.0 0.0 0.0
164 1760.8 230.2 644.4 0.0 0.0 0.0 0.0 0.0 0.0
165 1944.6 241.6 1111.0 0.0 0.0 0.0 0.0 0.0 0.0
165 1760.8 230.1 645.5 0.0 0.0 0.0 0.0 0.0 0.0
166 1940.9 239.3 1095.4 0.0 0.0 0.0 0.0 0.0 0.0
166 1760.8 230.1 649.8 0.0 0.0 0.0 0.0 0.0 0.0
167 1968.0 241.7 1119.1 0.0 0.0 0.0 0.0 0.0 0.0
167 1760.8 230.2 654.4 0.0 0.0 0.0 0.0 0.0 0.0
168 1964.1 241.5 1122.8 0.0 0.0 0.0 0.0 0.0 0.0
168 1760.8 230.2 663.2 0.0 0.0 0.0 0.0 0.0 0.0
169 1719.5 263.1 1047.0 0.0 0.0 0.0 0.0 0.0 0.0
169 1760.7 256.5 612.6 0.0 0.0 0.0 0.0 0.0 0.0
170 1919.7 266.0 1045.8 0.0 0.0 0.0 0.0 0.0 0.0
170 1760.7 257.2 617.8 0.0 0.0 0.0 0.0 0.0 0.0
171 1928.6 266.7 1050.0 0.0 0.0 0.0 0.0 0.0 0.0
171 1760.7 257.1 616.0 0.0 0.0 0.0 0.0 0.0 0.0
172 1923.2 263.7 1052.3 0.0 0.0 0.0 0.0 0.0 0.0
172 1760.7 257.3 615.3 0.0 0.0 0.0 0.0 0.0 0.0
173 1939.5 264.3 1069.5 0.0 0.0 0.0 0.0 0.0 0.0
173 1760.7 257.1 623.0 0.0 0.0 0.0 0.0 0.0 0.0
174 1918.0 261.8 1047.7 0.0 0.0 0.0 0.0 0.0 0.0
174 1760.7 257.2 622.9 0.0 0.0 0.0 0.0 0.0 0.0
175 1945.4 265.0 1076.5 0.0 0.0 0.0 0.0 0.0 0.0
175 1760.7 257.3 628.6 0.0 0.0 0.0 0.0 0.0 0.0
176 1941.5 262.9 1079.7 0.0 0.0 0.0 0.0 0.0 0.0
176 1760.7 257.2 637.8 0.0 0.0 0.0 0.0 0.0 0.0
177 1724.1 267.1 1037.4 0.0 0.0 0.0 0.0 0.0 0.0
177 1760.7 265.7 603.2 0.0 0.0 0.0 0.0 0.0 0.0
178 1916.8 268.3 1038.2 0.0 0.0 0.0 0.0 0.0 0.0
178 1760.7 266.5 606.6 0.0 0.0 0.0 0.0 0.0 0.0
179 1917.3 275.9 1035.5 0.0 0.0 0.0 0.0 0.0 0.0
179 1760.7 266.5 607.4 0.0 0.0 0.0 0.0 0.0 0.0
180 1926.1 274.6 1043.2 0.0 0.0 0.0 0.0 0.0 0.0
180 1760.7 266.4 609.4 0.0 0.0 0.0 0.0 0.0 0.0
181 1927.0 276.0 1044.3 0.0 0.0 0.0 0.0 0.0 0.0
181 1760.7 266.5 611.0 0.0 0.0 0.0 0.0 0.0 0.0
182 1909.6 268.0 1034.3 0.0 0.0 0.0 0.0 0.0 0.0
182 1760.7 266.4 615.2 0.0 0.0 0.0 0.0 0.0 0.0
183 1924.0 270.2 1049.4 0.0 0.0 0.0 0.0 0.0 0.0
183 1760.7 266.5 621.4 0.0 0.0 0.0 0.0 0.0 0.0
184 1933.2 273.5 1053.0 0.0 0.0 0.0 0.0 0.0 0.0
184 1760.7 266.5 622.0 0.0 0.0 0.0 0.0 0.0 0.0
185 1723.5 271.1 1034.2 0.0 0.0 0.0 0.0 0.0 0.0
185 1760.7 267.7 601.6 0.0 0.0 0.0 0.0 0.0 0.0
186 1922.9 276.5 1035.8 0.0 0.0 0.0 0.0 0.0 0.0
186 1760.7 268.5 606.3 0.0 0.0 0.0 0.0 0.0 0.0
187 1920.9 278.6 1031.2 0.0 0.0 0.0 0.0 0.0 0.0
187 1760.7 268.5 607.0 0.0 0.0 0.0 0.0 0.0 0.0
188 1913.1 276.7 1032.3 0.0 0.0 0.0 0.0 0.0 0.0
188 1760.7 268.4 607.6 0.0 0.0 0.0 0.0 0.0 0.0
189 1930.6 278.1 1047.6 0.0 0.0 0.0 0.0 0.0 0.0
189 1760.7 268.4 614.0 0.0 0.0 0.0 0.0 0.0 0.0
190 1905.3 270.5 1025.2 0.0 0.0 0.0 0.0 0.0 0.0
190 1760.7 268.4 615.7 0.0 0.0 0.0 0.0 0.0 0.0
191 1918.4 271.1 1044.4 0.0 0.0 0.0 0.0 0.0 0.0
191 1760.7 268.5 624.9 0.0 0.0 0.0 0.0 0.0 0.0
192 1927.3 275.1 1050.4 0.0 0.0 0.0 0.0 0.0 0.0
192 1760.7 268.5 618.9 0.0 0.0 0.0 0.0 0.0 0.0
193 1720.1 265.3 1026.3 0.0 0.0 0.0 0.0 0.0 0.0
193 1760.7 262.7 598.3 0.0 0.0 0.0 0.0 0.0 0.0
194 1918.2 272.0 1028.0 0.0 0.0 0.0 0.0 0.0 0.0
194 1760.7 263.4 602.0 0.0 0.0 0.0 0.0 0.0 0.0
195 1937.5 273.9 1049.3 0.0 0.0 0.0 0.0 0.0 0.0
195 1760.7 263.5 603.2 0.0 0.0 0.0 0.0 0.0 0.0
196 1913.8 271.5 1027.1 0.0 0.0 0.0 0.0 0.0 0.0
196 1760.7 263.5 602.7 0.0 0.0 0.0 0.0 0.0 0.0
197 1910.8 272.7 1024.2 0.0 0.0 0.0 0.0 0.0 0.0
197 1760.7 263.5 606.2 0.0 0.0 0.0 0.0 0.0 0.0
198 1901.0 264.3 1022.9 0.0 0.0 0.0 0.0 0.0 0.0
198 1760.7 263.5 607.9 0.0 0.0 0.0 0.0 0.0 0.0
199 1923.4 265.3 1044.9 0.0 0.0 0.0 0.0 0.0 0.0
199 1760.7 263.5 608.3 0.0 0.0 0.0 0.0 0.0 0.0
200 1924.9 270.3 1052.1 0.0 0.0 0.0 0.0 0.0 0.0
200 1760.7 263.4 627.7 0.0 0.0 0.0 0.0 0.0 0.0
201 1741.0 233.6 1090.0 0.0 0.0 0.0 0.0 0.0 0.0
201 1760.8 226.2 635.8 0.0 0.0 0.0 0.0 0.0 0.0
202 1947.6 236.0 1093.2 0.0 0.0 0.0 0.0 0.0 0.0
202 1760.8 227.0 639.6 0.0 0.0 0.0 0.0 0.0 0.0
203 1939.5 236.8 1087.8 0.0 0.0 0.0 0.0 0.0 0.0
203 1760.8 227.0 640.4 0.0 0.0 0.0 0.0 0.0 0.0
204 1937.5 235.9 1090.5 0.0 0.0 0.0 0.0 0.0 0.0
204 1760.8 226.9 640.9 0.0 0.0 0.0 0.0 0.0 0.0
205 1936.5 239.3 1080.6 0.0 0.0 0.0 0.0 0.0 0.0
205 1760.8 226.9 638.9 0.0 0.0 0.0 0.0 0.0 0.0
206 1932.4 235.9 1082.9 0.0 0.0 0.0 0.0 0.0 0.0
206 1760.8 227.0 646.0 0.0 0.0 0.0 0.0 0.0 0.0
207 1953.0 237.9 1104.9 0.0 0.0 0.0 0.0 0.0 0.0
207 1760.8 227.0 650.3 0.0 0.0 0.0 0.0 0.0 0.0
208 1948.0 237.8 1108.1 0.0 0.0 0.0 0.0 0.0 0.0
208 1760.8 227.0 663.8 0.0 0.0 0.0 0.0 0.0 0.0
209 1720.4 264.9 1037.0 0.0 0.0 0.0 0.0 0.0 0.0
209 1760.7 262.1 601.4 0.0 0.0 0.0 0.0 0.0 0.0
210 1925.3 271.2 1040.6 0.0 0.0 0.0 0.0 0.0 0.0
210 1760.7 262.9 604.2 0.0 0.0 0.0 0.0 0.0 0.0
211 1919.6 273.7 1033.7 0.0 0.0 0.0 0.0 0.0 0.0
211 1760.7 262.9 607.9 0.0 0.0 0.0 0.0 0.0 0.0
212 1928.3 271.5 1040.3 0.0 0.0 0.0 0.0 0.0 0.0
212 1760.7 262.9 604.7 0.0 0.0 0.0 0.0 0.0 0.0
213 1931.9 273.1 1045.9 0.0 0.0 0.0 0.0 0.0 0.0
213 1760.7 262.9 607.4 0.0 0.0 0.0 0.0 0.0 0.0
214 1902.4 263.9 1027.6 0.0 0.0 0.0 0.0 0.0 0.0
214 1760.7 262.9 611.4 0.0 0.0 0.0 0.0 0.0 0.0
215 1933.8 266.9 1056.9 0.0 0.0 0.0 0.0 0.0 0.0
215 1760.7 262.9 614.6 0.0 0.0 0.0 0.0 0.0 0.0
216 1934.1 270.7 1057.8 0.0 0.0 0.0 0.0 0.0 0.0
216 1760.7 263.0 627.6 0.0 0.0 0.0 0.0 0.0 0.0
217 1763.3 233.9 1105.6 0.0 0.0 0.0 0.0 0.0 0.0
217 1760.8 226.5 639.1 0.0 0.0 0.0 0.0 0.0 0.0
218 1958.8 236.6 1108.3 0.0 0.0 0.0 0.0 0.0 0.0
218 1760.8 227.1 642.8 0.0 0.0 0.0 0.0 0.0 0.0
219 1951.5 238.0 1100.2 0.0 0.0 0.0 0.0 0.0 0.0
219 1760.8 227.2 643.7 0.0 0.0 0.0 0.0 0.0 0.0
220 1949.0 237.0 1100.7 0.0 0.0 0.0 0.0 0.0 0.0
220 1760.8 227.2 643.1 0.0 0.0 0.0 0.0 0.0 0.0
221 1945.1 239.5 1093.7 0.0 0.0 0.0 0.0 0.0 0.0
221 1760.8 227.1 644.6 0.0 0.0 0.0 0.0 0.0 0.0
222 1938.7 236.2 1094.4 0.0 0.0 0.0 0.0 0.0 0.0
222 1760.8 227.2 649.9 0.0 0.0 0.0 0.0 0.0 0.0
223 1965.8 238.2 1118.6 0.0 0.0 0.0 0.0 0.0 0.0
223 1760.8 227.2 648.9 0.0 0.0 0.0 0.0 0.0 0.0
224 1967.4 238.4 1127.4 0.0 0.0 0.0 0.0 0.0 0.0
224 1760.8 227.2 669.9 0.0 0.0 0.0 0.0 0.0 0.0
225 1755.1 237.9 1102.7 0.0 0.0 0.0 0.0 0.0 0.0
225 1760.8 230.4 636.6 0.0 0.0 0.0 0.0 0.0 0.0
226 1949.9 240.3 1106.7 0.0 0.0 0.0 0.0 0.0 0.0
226 1760.8 231.4 640.6 0.0 0.0 0.0 0.0 0.0 0.0
227 1948.4 241.4 1096.5 0.0 0.0 0.0 0.0 0.0 0.0
227 1760.8 231.2 643.0 0.0 0.0 0.0 0.0 0.0 0.0
228 1956.1 240.5 1104.7 0.0 0.0 0.0 0.0 0.0 0.0
228 1760.8 231.4 642.5 0.0 0.0 0.0 0.0 0.0 0.0
229 1947.1 243.3 1091.9 0.0 0.0 0.0 0.0 0.0 0.0
229 1760.8 231.2 640.6 0.0 0.0 0.0 0.0 0.0 0.0
230 1943.0 239.7 1093.6 0.0 0.0 0.0 0.0 0.0 0.0
230 1760.8 231.2 648.4 0.0 0.0 0.0 0.0 0.0 0.0
231 1965.8 242.2 1118.1 0.0 0.0 0.0 0.0 0.0 0.0
231 1760.8 231.5 650.8 0.0 0.0 0.0 0.0 0.0 0.0
232 1968.9 242.5 1125.0 0.0 0.0 0.0 0.0 0.0 0.0
232 1760.8 231.5 664.2 0.0 0.0 0.0 0.0 0.0 0.0
233 1751.9 234.4 1094.5 0.0 0.0 0.0 0.0 0.0 0.0
233 1760.7 227.4 641.8 0.0 0.0 0.0 0.0 0.0 0.0
234 1947.1 236.5 1097.0 0.0 0.0 0.0 0.0 0.0 0.0
234 1760.7 228.3 644.5 0.0 0.0 0.0 0.0 0.0 0.0
235 1937.7 237.3 1087.7 0.0 0.0 0.0 0.0 0.0 0.0
235 1760.7 228.2 646.6 0.0 0.0 0.0 0.0 0.0 0.0
236 1936.2 236.2 1088.5 0.0 0.0 0.0 0.0 0.0 0.0
236 1760.7 228.2 645.9 0.0 0.0 0.0 0.0 0.0 0.0
237 1936.3 239.3 1084.6 0.0 0.0 0.0 0.0 0.0 0.0
237 1760.7 228.3 649.3 0.0 0.0 0.0 0.0 0.0 0.0
238 1929.8 236.1 1083.8 0.0 0.0 0.0 0.0 0.0 0.0
238 1760.7 228.3 652.0 0.0 0.0 0.0 0.0 0.0 0.0
239 1952.9 238.3 1108.4 0.0 0.0 0.0 0.0 0.0 0.0
239 1760.7 228.3 661.1 0.0 0.0 0.0 0.0 0.0 0.0
240 1953.6 238.4 1110.2 0.0 0.0 0.0 0.0 0.0 0.0
240 1760.7 228.3 659.7 0.0 0.0 0.0 0.0 0.0 0.0
241 1744.7 232.9 1095.7 0.0 0.0 0.0 0.0 0.0 0.0
241 1760.7 225.3 639.5 0.0 0.0 0.0 0.0 0.0 0.0
242 1941.5 234.7 1094.9 0.0 0.0 0.0 0.0 0.0 0.0
242 1760.7 226.2 643.5 0.0 0.0 0.0 0.0 0.0 0.0
243 1940.2 236.0 1091.5 0.0 0.0 0.0 0.0 0.0 0.0
243 1760.7 226.2 644.1 0.0 0.0 0.0 0.0 0.0 0.0
244 1945.8 235.4 1096.6 0.0 0.0 0.0 0.0 0.0 0.0
244 1760.7 226.1 645.8 0.0 0.0 0.0 0.0 0.0 0.0
245 1940.8 238.1 1088.0 0.0 0.0 0.0 0.0 0.0 0.0
245 1760.7 226.2 641.1 0.0 0.0 0.0 0.0 0.0 0.0
246 1932.7 234.5 1085.4 0.0 0.0 0.0 0.0 0.0 0.0
246 1760.7 226.2 651.2 0.0 0.0 0.0 0.0 0.0 0.0
247 1957.7 236.7 1111.0 0.0 0.0 0.0 0.0 0.0 0.0
247 1760.7 226.4 654.0 0.0 0.0 0.0 0.0 0.0 0.0
248 1953.3 236.6 1114.3 0.0 0.0 0.0 0.0 0.0 0.0
248 1760.7 226.2 666.4 0.0 0.0 0.0 0.0 0.0 0.0
249 1707.4 265.3 1024.1 0.0 0.0 0.0 0.0 0.0 0.0
249 1760.7 263.0 601.2 0.0 0.0 0.0 0.0 0.0 0.0
250 1909.7 271.7 1023.6 0.0 0.0 0.0 0.0 0.0 0.0
250 1760.7 264.0 605.5 0.0 0.0 0.0 0.0 0.0 0.0
251 1911.4 273.1 1025.4 0.0 0.0 0.0 0.0 0.0 0.0
251 1760.7 264.0 605.1 0.0 0.0 0.0 0.0 0.0 0.0
252 1914.8 271.9 1028.4 0.0 0.0 0.0 0.0 0.0 0.0
252 1760.7 264.1 608.0 0.0 0.0 0.0 0.0 0.0 0.0
253 1903.0 273.6 1019.0 0.0 0.0 0.0 0.0 0.0 0.0
253 1760.7 264.0 609.9 0.0 0.0 0.0 0.0 0.0 0.0
254 1897.1 265.7 1021.7 0.0 0.0 0.0 0.0 0.0 0.0
254 1760.7 264.0 615.0 0.0 0.0 0.0 0.0 0.0 0.0
255 1919.3 266.5 1045.9 0.0 0.0 0.0 0.0 0.0 0.0
255 1760.7 264.1 619.4 0.0 0.0 0.0 0.0 0.0 0.0
256 1930.2 271.4 1055.8 0.0 0.0 0.0 0.0 0.0 0.0
256 1760.7 264.1 624.4 0.0 0.0 0.0 0.0 0.0 0.0
257 1752.9 236.7 1105.4 0.0 0.0 0.0 0.0 0.0 0.0
257 1760.7 229.8 639.3 0.0 0.0 0.0 0.0 0.0 0.0
258 1956.8 239.4 1107.8 0.0 0.0 0.0 0.0 0.0 0.0
258 1760.7 230.6 643.2 0.0 0.0 0.0 0.0 0.0 0.0
259 1942.7 240.7 1095.4 0.0 0.0 0.0 0.0 0.0 0.0
259 1760.7 230.6 645.3 0.0 0.0 0.0 0.0 0.0 0.0
260 1951.2 240.2 1100.0 0.0 0.0 0.0 0.0 0.0 0.0
260 1760.7 230.6 646.1 0.0 0.0 0.0 0.0 0.0 0.0
261 1943.1 242.3 1095.8 0.0 0.0 0.0 0.0 0.0 0.0
261 1760.7 230.5 642.9 0.0 0.0 0.0 0.0 0.0 0.0
262 1950.8 239.6 1101.9 0.0 0.0 0.0 0.0 0.0 0.0
262 1760.7 230.6 649.5 0.0 0.0 0.0 0.0 0.0 0.0
263 1964.0 241.2 1118.7 0.0 0.0 0.0 0.0 0.0 0.0
263 1760.7 230.5 655.7 0.0 0.0 0.0 0.0 0.0 0.0
264 1958.7 241.5 1119.8 0.0 0.0 0.0 0.0 0.0 0.0
264 1760.7 230.7 666.3 0.0 0.0 0.0 0.0 0.0 0.0
265 1746.7 236.7 1100.3 0.0 0.0 0.0 0.0 0.0 0.0
265 1760.7 229.3 638.7 0.0 0.0 0.0 0.0 0.0 0.0
266 1943.1 238.8 1093.7 0.0 0.0 0.0 0.0 0.0 0.0
266 1760.7 230.1 642.0 0.0 0.0 0.0 0.0 0.0 0.0
267 1945.5 240.3 1100.7 0.0 0.0 0.0 0.0 0.0 0.0
267 1760.7 230.1 643.8 0.0 0.0 0.0 0.0 0.0 0.0
268 1953.1 239.1 1101.0 0.0 0.0 0.0 0.0 0.0 0.0
268 1760.7 230.1 643.7 0.0 0.0 0.0 0.0 0.0 0.0
269 1947.7 241.9 1096.8 0.0 0.0 0.0 0.0 0.0 0.0
269 1760.7 230.1 644.9 0.0 0.0 0.0 0.0 0.0 0.0
270 1946.0 239.0 1100.2 0.0 0.0 0.0 0.0 0.0 0.0
270 1760.7 230.1 648.7 0.0 0.0 0.0 0.0 0.0 0.0
271 1960.5 240.7 1115.6 0.0 0.0 0.0 0.0 0.0 0.0
271 1760.7 230.2 650.7 0.0 0.0 0.0 0.0 0.0 0.0
272 1966.4 241.1 1124.4 0.0 0.0 0.0 0.0 0.0 0.0
272 1760.7 230.2 666.0 0.0 0.0 0.0 0.0 0.0 0.0
273 1925.0 293.4 1030.0 0.0 0.0 0.0 0.0 0.0 0.0
273 1760.7 295.1 604.7 0.0 0.0 0.0 0.0 0.0 0.0
274 2045.5 302.6 1032.3 0.0 0.0 0.0 0.0 0.0 0.0
274 1760.7 295.6 607.8 0.0 0.0 0.0 0.0 0.0 0.0
275 2024.7 303.5 1026.9 0.0 0.0 0.0 0.0 0.0 0.0
275 1760.7 295.7 614.1 0.0 0.0 0.0 0.0 0.0 0.0
276 2035.6 301.2 1030.6 0.0 0.0 0.0 0.0 0.0 0.0
276 1760.7 295.8 606.9 0.0 0.0 0.0 0.0 0.0 0.0
277 1980.9 298.9 1024.6 0.0 0.0 0.0 0.0 0.0 0.0
277 1760.7 295.7 614.9 0.0 0.0 0.0 0.0 0.0 0.0
278 1973.8 292.2 1024.2 0.0 0.0 0.0 0.0 0.0 0.0
278 1760.7 295.8 619.2 0.0 0.0 0.0 0.0 0.0 0.0
279 2003.2 295.3 1047.1 0.0 0.0 0.0 0.0 0.0 0.0
279 1760.7 295.7 625.9 0.0 0.0 0.0 0.0 0.0 0.0
280 2032.7 299.9 1053.1 0.0 0.0 0.0 0.0 0.0 0.0
280 1760.7 295.7 627.5 0.0 0.0 0.0 0.0 0.0 0.0
281 1763.2 238.0 1104.7 0.0 0.0 0.0 0.0 0.0 0.0
281 1760.8 230.9 636.9 0.0 0.0 0.0 0.0 0.0 0.0
282 1952.2 240.3 1102.9 0.0 0.0 0.0 0.0 0.0 0.0
282 1760.8 231.7 640.9 0.0 0.0 0.0 0.0 0.0 0.0
283 1947.6 241.1 1096.3 0.0 0.0 0.0 0.0 0.0 0.0
283 1760.8 231.6 642.7 0.0 0.0 0.0 0.0 0.0 0.0
284 1962.5 240.7 1107.3 0.0 0.0 0.0 0.0 0.0 0.0
284 1760.8 231.8 637.2 0.0 0.0 0.0 0.0 0.0 0.0
285 1951.7 243.5 1099.8 0.0 0.0 0.0 0.0 0.0 0.0
285 1760.8 231.6 644.7 0.0 0.0 0.0 0.0 0.0 0.0
286 1940.7 240.3 1091.4 0.0 0.0 0.0 0.0 0.0 0.0
286 1760.8 231.7 646.8 0.0 0.0 0.0 0.0 0.0 0.0
287 1962.5 241.6 1115.5 0.0 0.0 0.0 0.0 0.0 0.0
287 1760.8 231.7 650.4 0.0 0.0 0.0 0.0 0.0 0.0
288 1965.3 242.2 1123.9 0.0 0.0 0.0 0.0 0.0 0.0
288 1760.8 231.7 663.7 0.0 0.0 0.0 0.0 0.0 0.0
289 1727.8 264.0 1043.2 0.0 0.0 0.0 0.0 0.0 0.0
289 1760.7 261.9 603.4 0.0 0.0 0.0 0.0 0.0 0.0
290 1925.6 268.2 1041.2 0.0 0.0 0.0 0.0 0.0 0.0
290 1760.7 262.6 607.2 0.0 0.0 0.0 0.0 0.0 0.0
291 1914.9 272.5 1032.5 0.0 0.0 0.0 0.0 0.0 0.0
291 1760.7 262.7 609.7 0.0 0.0 0.0 0.0 0.0 0.0
292 1916.5 268.7 1038.7 0.0 0.0 0.0 0.0 0.0 0.0
292 1760.7 262.6 607.6 0.0 0.0 0.0 0.0 0.0 0.0
293 1925.4 272.9 1040.8 0.0 0.0 0.0 0.0 0.0 0.0
293 1760.7 262.6 611.3 0.0 0.0 0.0 0.0 0.0 0.0
294 1927.3 262.9 1052.5 0.0 0.0 0.0 0.0 0.0 0.0
294 1760.7 262.6 611.7 0.0 0.0 0.0 0.0 0.0 0.0
295 1928.8 265.2 1054.4 0.0 0.0 0.0 0.0 0.0 0.0
295 1760.7 262.6 615.7 0.0 0.0 0.0 0.0 0.0 0.0
296 1933.0 269.8 1060.5 0.0 0.0 0.0 0.0 0.0 0.0
296 1760.7 262.6 632.5 0.0 0.0 0.0 0.0 0.0 0.0
297 1747.0 234.9 1092.3 0.0 0.0 0.0 0.0 0.0 0.0
297 1760.7 228.2 634.5 0.0 0.0 0.0 0.0 0.0 0.0
298 1942.7 237.2 1089.9 0.0 0.0 0.0 0.0 0.0 0.0
298 1760.7 229.0 638.1 0.0 0.0 0.0 0.0 0.0 0.0
299 1934.9 237.9 1081.5 0.0 0.0 0.0 0.0 0.0 0.0
299 1760.7 228.9 639.4 0.0 0.0 0.0 0.0 0.0 0.0
300 1932.2 236.9 1082.1 0.0 0.0 0.0 0.0 0.0 0.0
300 1760.7 229.0 638.5 0.0 0.0 0.0 0.0 0.0 0.0
301 1941.0 240.4 1086.3 0.0 0.0 0.0 0.0 0.0 0.0
301 1760.7 229.0 639.9 0.0 0.0 0.0 0.0 0.0 0.0
302 1931.9 236.7 1085.9 0.0 0.0 0.0 0.0 0.0 0.0
302 1760.7 229.0 644.9 0.0 0.0 0.0 0.0 0.0 0.0
303 1953.2 239.0 1104.2 0.0 0.0 0.0 0.0 0.0 0.0
303 1760.7 229.0 649.0 0.0 0.0 0.0 0.0 0.0 0.0
304 1954.5 238.9 1110.2 0.0 0.0 0.0 0.0 0.0 0.0
304 1760.7 229.0 660.1 0.0 0.0 0.0 0.0 0.0 0.0
305 1729.5 266.2 1040.7 0.0 0.0 0.0 0.0 0.0 0.0
305 1760.7 263.6 603.6 0.0 0.0 0.0 0.0 0.0 0.0
306 1927.6 271.9 1042.2 0.0 0.0 0.0 0.0 0.0 0.0
306 1760.7 264.4 608.6 0.0 0.0 0.0 0.0 0.0 0.0
307 1931.6 274.7 1044.3 0.0 0.0 0.0 0.0 0.0 0.0
307 1760.7 264.4 609.5 0.0 0.0 0.0 0.0 0.0 0.0
308 1921.3 272.1 1035.3 0.0 0.0 0.0 0.0 0.0 0.0
308 1760.7 264.4 607.2 0.0 0.0 0.0 0.0 0.0 0.0
309 1936.5 274.9 1051.9 0.0 0.0 0.0 0.0 0.0 0.0
309 1760.7 264.3 611.3 0.0 0.0 0.0 0.0 0.0 0.0
310 1912.7 265.4 1038.0 0.0 0.0 0.0 0.0 0.0 0.0
310 1760.7 264.5 613.3 0.0 0.0 0.0 0.0 0.0 0.0
311 1927.0 268.6 1051.5 0.0 0.0 0.0 0.0 0.0 0.0
311 1760.7 264.5 618.7 0.0 0.0 0.0 0.0 0.0 0.0
312 1935.6 272.5 1058.0 0.0 0.0 0.0 0.0 0.0 0.0
312 1760.7 264.4 633.2 0.0 0.0 0.0 0.0 0.0 0.0
313 1755.8 238.0 1107.0 0.0 0.0 0.0 0.0 0.0 0.0
313 1760.8 230.1 643.2 0.0 0.0 0.0 0.0 0.0 0.0
314 1959.2 240.3 1106.9 0.0 0.0 0.0 0.0 0.0 0.0
314 1760.8 230.9 647.0 0.0 0.0 0.0 0.0 0.0 0.0
315 1948.4 241.4 1099.3 0.0 0.0 0.0 0.0 0.0 0.0
315 1760.8 230.9 648.9 0.0 0.0 0.0 0.0 0.0 0.0
316 1960.1 240.2 1109.3 0.0 0.0 0.0 0.0 0.0 0.0
316 1760.8 230.9 645.7 0.0 0.0 0.0 0.0 0.0 0.0
317 1950.4 243.4 1098.1 0.0 0.0 0.0 0.0 0.0 0.0
317 1760.8 231.0 649.5 0.0 0.0 0.0 0.0 0.0 0.0
318 1944.3 239.8 1097.2 0.0 0.0 0.0 0.0 0.0 0.0
318 1760.8 231.0 653.2 0.0 0.0 0.0 0.0 0.0 0.0
319 1967.5 241.6 1119.7 0.0 0.0 0.0 0.0 0.0 0.0
319 1760.8 230.9 655.8 0.0 0.0 0.0 0.0 0.0 0.0
320 1973.7 241.5 1131.2 0.0 0.0 0.0 0.0 0.0 0.0
320 1760.8 230.8 669.0 0.0 0.0 0.0 0.0 0.0 0.0
321 1738.1 265.8 1052.4 0.0 0.0 0.0 0.0 0.0 0.0
321 1760.8 258.1 613.4 0.0 0.0 0.0 0.0 0.0 0.0
322 1927.2 267.1 1051.8 0.0 0.0 0.0 0.0 0.0 0.0
322 1760.8 258.8 617.7 0.0 0.0 0.0 0.0 0.0 0.0
323 1937.0 266.5 1063.4 0.0 0.0 0.0 0.0 0.0 0.0
323 1760.8 258.8 619.3 0.0 0.0 0.0 0.0 0.0 0.0
324 1929.5 265.4 1054.7 0.0 0.0 0.0 0.0 0.0 0.0
324 1760.8 258.8 616.6 0.0 0.0 0.0 0.0 0.0 0.0
325 1920.6 265.6 1048.2 0.0 0.0 0.0 0.0 0.0 0.0
325 1760.8 258.7 621.9 0.0 0.0 0.0 0.0 0.0 0.0
326 1926.8 263.0 1058.4 0.0 0.0 0.0 0.0 0.0 0.0
326 1760.8 258.8 624.9 0.0 0.0 0.0 0.0 0.0 0.0
327 1936.0 265.5 1066.5 0.0 0.0 0.0 0.0 0.0 0.0
327 1760.8 258.8 627.0 0.0 0.0 0.0 0.0 0.0 0.0
328 1939.7 265.3 1072.9 0.0 0.0 0.0 0.0 0.0 0.0
328 1760.8 258.9 638.0 0.0 0.0 0.0 0.0 0.0 0.0
329 1697.1 284.6 995.1 0.0 0.0 0.0 0.0 0.0 0.0
329 1760.7 285.4 580.5 0.0 0.0 0.0 0.0 0.0 0.0
330 1905.1 295.1 995.8 0.0 0.0 0.0 0.0 0.0 0.0
330 1760.7 286.0 585.0 0.0 0.0 0.0 0.0 0.0 0.0
331 1895.9 292.5 993.6 0.0 0.0 0.0 0.0 0.0 0.0
331 1760.7 286.1 588.8 0.0 0.0 0.0 0.0 0.0 0.0
332 1893.1 285.8 993.6 0.0 0.0 0.0 0.0 0.0 0.0
332 1760.7 286.1 583.5 0.0 0.0 0.0 0.0 0.0 0.0
333 1886.6 283.7 996.2 0.0 0.0 0.0 0.0 0.0 0.0
333 1760.7 286.1 593.7 0.0 0.0 0.0 0.0 0.0 0.0
334 1875.9 278.8 990.3 0.0 0.0 0.0 0.0 0.0 0.0
334 1760.7 286.1 595.4 0.0 0.0 0.0 0.0 0.0 0.0
335 1914.1 284.4 1026.5 0.0 0.0 0.0 0.0 0.0 0.0
335 1760.7 286.2 602.4 0.0 0.0 0.0 0.0 0.0 0.0
336 1906.1 286.6 1015.0 0.0 0.0 0.0 0.0 0.0 0.0
336 1760.7 286.0 596.8 0.0 0.0 0.0 0.0 0.0 0.0
337 1749.7 235.2 1105.1 0.0 0.0 0.0 0.0 0.0 0.0
337 1760.8 228.0 640.5 0.0 0.0 0.0 0.0 0.0 0.0
338 1953.9 238.1 1103.6 0.0 0.0 0.0 0.0 0.0 0.0
338 1760.8 228.7 643.4 0.0 0.0 0.0 0.0 0.0 0.0
339 1950.5 239.2 1102.2 0.0 0.0 0.0 0.0 0.0 0.0
339 1760.8 228.8 646.5 0.0 0.0 0.0 0.0 0.0 0.0
340 1954.3 238.3 1107.3 0.0 0.0 0.0 0.0 0.0 0.0
340 1760.8 228.8 647.4 0.0 0.0 0.0 0.0 0.0 0.0
341 1954.3 241.2 1104.7 0.0 0.0 0.0 0.0 0.0 0.0
341 1760.8 228.7 643.2 0.0 0.0 0.0 0.0 0.0 0.0
342 1938.4 238.0 1092.7 0.0 0.0 0.0 0.0 0.0 0.0
342 1760.8 228.8 651.2 0.0 0.0 0.0 0.0 0.0 0.0
343 1963.7 239.6 1119.5 0.0 0.0 0.0 0.0 0.0 0.0
343 1760.8 228.7 656.3 0.0 0.0 0.0 0.0 0.0 0.0
344 1962.3 239.9 1122.1 0.0 0.0 0.0 0.0 0.0 0.0
344 1760.8 228.8 665.3 0.0 0.0 0.0 0.0 0.0 0.0
345 1751.0 233.9 1105.3 0.0 0.0 0.0 0.0 0.0 0.0
345 1760.7 226.6 643.8 0.0 0.0 0.0 0.0 0.0 0.0
346 1952.7 236.0 1107.1 0.0 0.0 0.0 0.0 0.0 0.0
346 1760.7 227.3 647.4 0.0 0.0 0.0 0.0 0.0 0.0
347 1943.9 237.8 1098.7 0.0 0.0 0.0 0.0 0.0 0.0
347 1760.7 227.3 649.9 0.0 0.0 0.0 0.0 0.0 0.0
348 1946.5 236.5 1101.3 0.0 0.0 0.0 0.0 0.0 0.0
348 1760.7 227.3 647.5 0.0 0.0 0.0 0.0 0.0 0.0
349 1962.3 239.4 1112.6 0.0 0.0 0.0 0.0 0.0 0.0
349 1760.7 227.3 647.8 0.0 0.0 0.0 0.0 0.0 0.0
350 1943.0 235.9 1102.0 0.0 0.0 0.0 0.0 0.0 0.0
350 1760.7 227.3 655.2 0.0 0.0 0.0 0.0 0.0 0.0
351 1960.4 237.7 1117.1 0.0 0.0 0.0 0.0 0.0 0.0
351 1760.7 227.4 657.0 0.0 0.0 0.0 0.0 0.0 0.0
352 1962.6 237.9 1123.1 0.0 0.0 0.0 0.0 0.0 0.0
352 1760.7 227.3 671.9 0.0 0.0 0.0 0.0 0.0 0.0
353 1730.1 261.5 1043.1 0.0 0.0 0.0 0.0 0.0 0.0
353 1760.7 253.4 611.5 0.0 0.0 0.0 0.0 0.0 0.0
354 1923.9 263.2 1047.2 0.0 0.0 0.0 0.0 0.0 0.0
354 1760.7 254.3 615.5 0.0 0.0 0.0 0.0 0.0 0.0
355 1911.5 262.0 1036.2 0.0 0.0 0.0 0.0 0.0 0.0
355 1760.7 254.2 618.5 0.0 0.0 0.0 0.0 0.0 0.0
356 1915.2 261.1 1040.8 0.0 0.0 0.0 0.0 0.0 0.0
356 1760.7 254.4 618.0 0.0 0.0 0.0 0.0 0.0 0.0
357 1913.8 261.6 1040.1 0.0 0.0 0.0 0.0 0.0 0.0
357 1760.7 254.2 620.3 0.0 0.0 0.0 0.0 0.0 0.0
358 1921.8 259.0 1051.9 0.0 0.0 0.0 0.0 0.0 0.0
358 1760.7 254.3 621.2 0.0 0.0 0.0 0.0 0.0 0.0
359 1926.6 261.9 1053.5 0.0 0.0 0.0 0.0 0.0 0.0
359 1760.7 254.3 626.6 0.0 0.0 0.0 0.0 0.0 0.0
360 1930.5 259.8 1063.7 0.0 0.0 0.0 0.0 0.0 0.0
360 1760.7 254.3 636.2 0.0 0.0 0.0 0.0 0.0 0.0
361 1716.6 260.3 1035.5 0.0 0.0 0.0 0.0 0.0 0.0
361 1760.8 256.3 606.5 0.0 0.0 0.0 0.0 0.0 0.0
362 1912.3 265.8 1032.6 0.0 0.0 0.0 0.0 0.0 0.0
362 1760.8 257.2 610.7 0.0 0.0 0.0 0.0 0.0 0.0
363 1914.7 268.3 1036.1 0.0 0.0 0.0 0.0 0.0 0.0
363 1760.8 257.1 614.5 0.0 0.0 0.0 0.0 0.0 0.0
364 1921.2 265.6 1041.1 0.0 0.0 0.0 0.0 0.0 0.0
364 1760.8 257.1 611.2 0.0 0.0 0.0 0.0 0.0 0.0
365 1923.1 265.4 1044.5 0.0 0.0 0.0 0.0 0.0 0.0
365 1760.8 257.2 612.6 0.0 0.0 0.0 0.0 0.0 0.0
366 1907.0 260.2 1035.5 0.0 0.0 0.0 0.0 0.0 0.0
366 1760.8 257.1 617.1 0.0 0.0 0.0 0.0 0.0 0.0
367 1926.2 261.6 1058.3 0.0 0.0 0.0 0.0 0.0 0.0
367 1760.8 257.2 618.8 0.0 0.0 0.0 0.0 0.0 0.0
368 1931.2 264.3 1064.8 0.0 0.0 0.0 0.0 0.0 0.0
368 1760.8 257.2 637.5 0.0 0.0 0.0 0.0 0.0 0.0
369 1746.3 235.5 1087.7 0.0 0.0 0.0 0.0 0.0 0.0
369 1760.7 228.2 634.0 0.0 0.0 0.0 0.0 0.0 0.0
370 1929.8 238.3 1085.1 0.0 0.0 0.0 0.0 0.0 0.0
370 1760.7 229.4 636.8 0.0 0.0 0.0 0.0 0.0 0.0
371 1933.6 239.3 1080.3 0.0 0.0 0.0 0.0 0.0 0.0
371 1760.7 229.3 639.1 0.0 0.0 0.0 0.0 0.0 0.0
372 1940.1 238.5 1088.8 0.0 0.0 0.0 0.0 0.0 0.0
372 1760.7 229.4 637.7 0.0 0.0 0.0 0.0 0.0 0.0
373 1928.6 241.5 1072.7 0.0 0.0 0.0 0.0 0.0 0.0
373 1760.7 229.3 639.7 0.0 0.0 0.0 0.0 0.0 0.0
374 1927.5 238.3 1077.0 0.0 0.0 0.0 0.0 0.0 0.0
374 1760.7 229.3 645.7 0.0 0.0 0.0 0.0 0.0 0.0
375 1947.3 239.9 1095.2 0.0 0.0 0.0 0.0 0.0 0.0
375 1760.7 229.4 646.2 0.0 0.0 0.0 0.0 0.0 0.0
376 1944.3 240.3 1101.3 0.0 0.0 0.0 0.0 0.0 0.0
376 1760.7 229.4 663.2 0.0 0.0 0.0 0.0 0.0 0.0
377 1748.4 236.1 1106.3 0.0 0.0 0.0 0.0 0.0 0.0
377 1760.7 228.4 642.8 0.0 0.0 0.0 0.0 0.0 0.0
378 1957.8 238.3 1110.3 0.0 0.0 0.0 0.0 0.0 0.0
378 1760.7 229.2 645.9 0.0 0.0 0.0 0.0 0.0 0.0
379 1949.7 239.6 1100.9 0.0 0.0 0.0 0.0 0.0 0.0
379 1760.7 229.3 647.6 0.0 0.0 0.0 0.0 0.0 0.0
380 1944.4 238.6 1101.0 0.0 0.0 0.0 0.0 0.0 0.0
380 1760.7 229.3 647.4 0.0 0.0 0.0 0.0 0.0 0.0
381 1946.9 241.6 1098.3 0.0 0.0 0.0 0.0 0.0 0.0
381 1760.7 229.3 649.0 0.0 0.0 0.0 0.0 0.0 0.0
382 1945.6 238.1 1101.5 0.0 0.0 0.0 0.0 0.0 0.0
382 1760.7 229.3 653.6 0.0 0.0 0.0 0.0 0.0 0.0
383 1951.5 239.7 1109.7 0.0 0.0 0.0 0.0 0.0 0.0
383 1760.7 229.1 660.8 0.0 0.0 0.0 0.0 0.0 0.0
384 1962.9 240.1 1121.9 0.0 0.0 0.0 0.0 0.0 0.0
384 1760.7 229.3 664.2 0.0 0.0 0.0 0.0 0.0 0.0
385 1724.4 287.5 1028.4 0.0 0.0 0.0 0.0 0.0 0.0
385 1760.7 285.4 590.1 0.0 0.0 0.0 0.0 0.0 0.0
386 1947.2 295.5 1045.1 0.0 0.0 0.0 0.0 0.0 0.0
386 1760.7 286.2 594.4 0.0 0.0 0.0 0.0 0.0 0.0
387 1919.1 295.3 1017.8 0.0 0.0 0.0 0.0 0.0 0.0
387 1760.7 286.1 595.6 0.0 0.0 0.0 0.0 0.0 0.0
388 1922.2 289.0 1022.9 0.0 0.0 0.0 0.0 0.0 0.0
388 1760.7 286.2 593.2 0.0 0.0 0.0 0.0 0.0 0.0
389 1924.7 285.4 1032.3 0.0 0.0 0.0 0.0 0.0 0.0
389 1760.7 286.1 595.6 0.0 0.0 0.0 0.0 0.0 0.0
390 1903.6 281.9 1018.7 0.0 0.0 0.0 0.0 0.0 0.0
390 1760.7 286.1 600.7 0.0 0.0 0.0 0.0 0.0 0.0
391 1922.2 286.4 1035.3 0.0 0.0 0.0 0.0 0.0 0.0
391 1760.7 286.1 608.1 0.0 0.0 0.0 0.0 0.0 0.0
392 1926.1 287.9 1041.3 0.0 0.0 0.0 0.0 0.0 0.0
392 1760.7 286.1 612.7 0.0 0.0 0.0 0.0 0.0 0.0
393 1720.5 258.9 1043.5 0.0 0.0 0.0 0.0 0.0 0.0
393 1760.7 254.6 610.8 0.0 0.0 0.0 0.0 0.0 0.0
394 1927.0 264.3 1049.8 0.0 0.0 0.0 0.0 0.0 0.0
394 1760.7 255.5 616.5 0.0 0.0 0.0 0.0 0.0 0.0
395 1921.9 266.2 1044.7 0.0 0.0 0.0 0.0 0.0 0.0
395 1760.7 255.5 620.1 0.0 0.0 0.0 0.0 0.0 0.0
396 1913.9 265.1 1041.4 0.0 0.0 0.0 0.0 0.0 0.0
396 1760.7 255.6 616.1 0.0 0.0 0.0 0.0 0.0 0.0
397 1915.5 263.9 1040.8 0.0 0.0 0.0 0.0 0.0 0.0
397 1760.7 255.6 620.6 0.0 0.0 0.0 0.0 0.0 0.0
398 1896.9 258.5 1030.2 0.0 0.0 0.0 0.0 0.0 0.0
398 1760.7 255.5 626.3 0.0 0.0 0.0 0.0 0.0 0.0
399 1921.2 260.3 1055.6 0.0 0.0 0.0 0.0 0.0 0.0
399 1760.7 255.6 634.1 0.0 0.0 0.0 0.0 0.0 0.0
400 1930.8 262.6 1060.8 0.0 0.0 0.0 0.0 0.0 0.0
400 1760.7 255.5 629.3 0.0 0.0 0.0 0.0 0.0 0.0
401 1749.0 233.1 1093.2 0.0 0.0 0.0 0.0 0.0 0.0
401 1760.8 225.3 635.2 0.0 0.0 0.0 0.0 0.0 0.0
402 1943.0 235.2 1093.4 0.0 0.0 0.0 0.0 0.0 0.0
402 1760.8 226.1 638.0 0.0 0.0 0.0 0.0 0.0 0.0
403 1948.5 236.6 1096.3 0.0 0.0 0.0 0.0 0.0 0.0
403 1760.8 226.3 640.6 0.0 0.0 0.0 0.0 0.0 0.0
404 1947.7 235.6 1096.3 0.0 0.0 0.0 0.0 0.0 0.0
404 1760.8 226.3 639.5 0.0 0.0 0.0 0.0 0.0 0.0
405 1942.1 238.7 1087.7 0.0 0.0 0.0 0.0 0.0 0.0
405 1760.8 226.2 641.2 0.0 0.0 0.0 0.0 0.0 0.0
406 1933.0 235.4 1084.5 0.0 0.0 0.0 0.0 0.0 0.0
406 1760.8 226.2 645.9 0.0 0.0 0.0 0.0 0.0 0.0
407 1957.5 237.3 1111.0 0.0 0.0 0.0 0.0 0.0 0.0
407 1760.8 226.3 652.9 0.0 0.0 0.0 0.0 0.0 0.0
408 1961.3 237.7 1115.8 0.0 0.0 0.0 0.0 0.0 0.0
408 1760.8 226.2 657.5 0.0 0.0 0.0 0.0 0.0 0.0
409 1742.5 235.0 1092.2 0.0 0.0 0.0 0.0 0.0 0.0
409 1760.8 227.9 638.6 0.0 0.0 0.0 0.0 0.0 0.0
410 1947.1 237.6 1093.7 0.0 0.0 0.0 0.0 0.0 0.0
410 1760.8 228.6 642.2 0.0 0.0 0.0 0.0 0.0 0.0
411 1942.2 238.7 1090.8 0.0 0.0 0.0 0.0 0.0 0.0
411 1760.8 228.7 643.7 0.0 0.0 0.0 0.0 0.0 0.0
412 1938.5 237.5 1091.2 0.0 0.0 0.0 0.0 0.0 0.0
412 1760.8 228.7 642.2 0.0 0.0 0.0 0.0 0.0 0.0
413 1937.4 240.9 1085.8 0.0 0.0 0.0 0.0 0.0 0.0
413 1760.8 228.7 642.9 0.0 0.0 0.0 0.0 0.0 0.0
414 1936.4 237.3 1088.1 0.0 0.0 0.0 0.0 0.0 0.0
414 1760.8 228.7 649.9 0.0 0.0 0.0 0.0 0.0 0.0
415 1961.8 239.3 1112.2 0.0 0.0 0.0 0.0 0.0 0.0
415 1760.8 228.7 652.6 0.0 0.0 0.0 0.0 0.0 0.0
416 1955.9 239.5 1116.1 0.0 0.0 0.0 0.0 0.0 0.0
416 1760.8 228.7 667.6 0.0 0.0 0.0 0.0 0.0 0.0
417 1748.6 235.2 1087.4 0.0 0.0 0.0 0.0 0.0 0.0
417 1760.7 227.2 634.7 0.0 0.0 0.0 0.0 0.0 0.0
418 1941.8 237.1 1092.6 0.0 0.0 0.0 0.0 0.0 0.0
418 1760.7 228.1 637.6 0.0 0.0 0.0 0.0 0.0 0.0
419 1940.8 238.2 1087.9 0.0 0.0 0.0 0.0 0.0 0.0
419 1760.7 228.0 639.9 0.0 0.0 0.0 0.0 0.0 0.0
420 1941.8 237.2 1088.6 0.0 0.0 0.0 0.0 0.0 0.0
420 1760.7 227.9 637.7 0.0 0.0 0.0 0.0 0.0 0.0
421 1937.3 240.8 1082.1 0.0 0.0 0.0 0.0 0.0 0.0
421 1760.7 228.1 641.8 0.0 0.0 0.0 0.0 0.0 0.0
422 1932.6 237.1 1087.1 0.0 0.0 0.0 0.0 0.0 0.0
422 1760.7 228.1 645.5 0.0 0.0 0.0 0.0 0.0 0.0
423 1951.1 238.8 1102.9 0.0 0.0 0.0 0.0 0.0 0.0
423 1760.7 228.1 651.6 0.0 0.0 0.0 0.0 0.0 0.0
424 1959.2 239.5 1114.7 0.0 0.0 0.0 0.0 0.0 0.0
424 1760.7 228.2 656.2 0.0 0.0 0.0 0.0 0.0 0.0
425 1699.1 281.7 992.8 0.0 0.0 0.0 0.0 0.0 0.0
425 1760.7 281.2 581.7 0.0 0.0 0.0 0.0 0.0 0.0
426 1898.7 290.6 994.4 0.0 0.0 0.0 0.0 0.0 0.0
426 1760.7 281.6 585.2 0.0 0.0 0.0 0.0 0.0 0.0
427 1906.0 290.7 1002.2 0.0 0.0 0.0 0.0 0.0 0.0
427 1760.7 281.7 589.7 0.0 0.0 0.0 0.0 0.0 0.0
428 1890.6 282.2 994.1 0.0 0.0 0.0 0.0 0.0 0.0
428 1760.7 281.6 587.7 0.0 0.0 0.0 0.0 0.0 0.0
429 1882.8 279.1 989.1 0.0 0.0 0.0 0.0 0.0 0.0
429 1760.7 281.8 587.7 0.0 0.0 0.0 0.0 0.0 0.0
430 1875.4 277.0 990.1 0.0 0.0 0.0 0.0 0.0 0.0
430 1760.7 281.8 594.8 0.0 0.0 0.0 0.0 0.0 0.0
431 1916.6 281.2 1028.0 0.0 0.0 0.0 0.0 0.0 0.0
431 1760.7 281.7 600.5 0.0 0.0 0.0 0.0 0.0 0.0
432 1903.0 283.0 1013.3 0.0 0.0 0.0 0.0 0.0 0.0
432 1760.7 281.8 605.2 0.0 0.0 0.0 0.0 0.0 0.0
433 1725.8 282.2 1024.5 0.0 0.0 0.0 0.0 0.0 0.0
433 1760.8 280.3 592.7 0.0 0.0 0.0 0.0 0.0 0.0
434 1928.4 290.5 1025.4 0.0 0.0 0.0 0.0 0.0 0.0
434 1760.8 280.9 595.9 0.0 0.0 0.0 0.0 0.0 0.0
435 1921.2 289.4 1021.0 0.0 0.0 0.0 0.0 0.0 0.0
435 1760.8 280.8 596.8 0.0 0.0 0.0 0.0 0.0 0.0
436 1915.6 281.2 1022.2 0.0 0.0 0.0 0.0 0.0 0.0
436 1760.8 280.8 597.6 0.0 0.0 0.0 0.0 0.0 0.0
437 1925.9 280.5 1036.8 0.0 0.0 0.0 0.0 0.0 0.0
437 1760.8 280.8 599.0 0.0 0.0 0.0 0.0 0.0 0.0
438 1916.3 278.3 1026.8 0.0 0.0 0.0 0.0 0.0 0.0
438 1760.8 280.8 603.3 0.0 0.0 0.0 0.0 0.0 0.0
439 1918.4 280.1 1033.4 0.0 0.0 0.0 0.0 0.0 0.0
439 1760.8 280.9 604.7 0.0 0.0 0.0 0.0 0.0 0.0
440 1918.4 281.3 1035.8 0.0 0.0 0.0 0.0 0.0 0.0
440 1760.8 280.9 614.2 0.0 0.0 0.0 0.0 0.0 0.0
441 1736.4 266.9 1042.9 0.0 0.0 0.0 0.0 0.0 0.0
441 1760.7 262.7 602.2 0.0 0.0 0.0 0.0 0.0 0.0
442 1934.3 272.2 1045.4 0.0 0.0 0.0 0.0 0.0 0.0
442 1760.7 263.6 604.2 0.0 0.0 0.0 0.0 0.0 0.0
443 1924.5 273.2 1037.4 0.0 0.0 0.0 0.0 0.0 0.0
443 1760.7 263.6 608.5 0.0 0.0 0.0 0.0 0.0 0.0
444 1928.4 271.7 1040.8 0.0 0.0 0.0 0.0 0.0 0.0
444 1760.7 263.7 608.1 0.0 0.0 0.0 0.0 0.0 0.0
445 1938.0 274.4 1055.6 0.0 0.0 0.0 0.0 0.0 0.0
445 1760.7 263.7 604.4 0.0 0.0 0.0 0.0 0.0 0.0
446 1929.5 264.7 1051.1 0.0 0.0 0.0 0.0 0.0 0.0
446 1760.7 263.6 612.5 0.0 0.0 0.0 0.0 0.0 0.0
447 1935.8 267.3 1057.9 0.0 0.0 0.0 0.0 0.0 0.0
447 1760.7 263.6 614.8 0.0 0.0 0.0 0.0 0.0 0.0
448 1935.8 271.6 1062.1 0.0 0.0 0.0 0.0 0.0 0.0
448 1760.7 263.7 629.2 0.0 0.0 0.0 0.0 0.0 0.0
449 1766.8 239.3 1103.1 0.0 0.0 0.0 0.0 0.0 0.0
449 1760.7 231.2 638.5 0.0 0.0 0.0 0.0 0.0 0.0
450 1957.8 241.2 1108.1 0.0 0.0 0.0 0.0 0.0 0.0
450 1760.7 231.9 641.6 0.0 0.0 0.0 0.0 0.0 0.0
451 1955.6 242.4 1103.8 0.0 0.0 0.0 0.0 0.0 0.0
451 1760.7 232.1 643.9 0.0 0.0 0.0 0.0 0.0 0.0
452 1959.5 241.1 1109.4 0.0 0.0 0.0 0.0 0.0 0.0
452 1760.7 232.0 642.9 0.0 0.0 0.0 0.0 0.0 0.0
453 1963.6 243.9 1109.4 0.0 0.0 0.0 0.0 0.0 0.0
453 1760.7 232.1 641.9 0.0 0.0 0.0 0.0 0.0 0.0
454 1948.8 240.9 1100.4 0.0 0.0 0.0 0.0 0.0 0.0
454 1760.7 232.1 649.6 0.0 0.0 0.0 0.0 0.0 0.0
455 1961.9 243.2 1116.4 0.0 0.0 0.0 0.0 0.0 0.0
455 1760.7 232.0 655.5 0.0 0.0 0.0 0.0 0.0 0.0
456 1972.1 243.2 1126.0 0.0 0.0 0.0 0.0 0.0 0.0
456 1760.7 232.0 663.6 0.0 0.0 0.0 0.0 0.0 0.0
457 1755.8 235.5 1108.1 0.0 0.0 0.0 0.0 0.0 0.0
457 1760.7 226.8 645.2 0.0 0.0 0.0 0.0 0.0 0.0
458 1956.0 237.3 1108.6 0.0 0.0 0.0 0.0 0.0 0.0
458 1760.7 227.6 648.2 0.0 0.0 0.0 0.0 0.0 0.0
459 1953.0 238.4 1104.8 0.0 0.0 0.0 0.0 0.0 0.0
459 1760.7 227.6 650.8 0.0 0.0 0.0 0.0 0.0 0.0
460 1965.1 237.5 1116.1 0.0 0.0 0.0 0.0 0.0 0.0
460 1760.7 227.7 649.6 0.0 0.0 0.0 0.0 0.0 0.0
461 1956.9 240.5 1106.5 0.0 0.0 0.0 0.0 0.0 0.0
461 1760.7 227.6 649.4 0.0 0.0 0.0 0.0 0.0 0.0
462 1951.3 237.6 1107.6 0.0 0.0 0.0 0.0 0.0 0.0
462 1760.7 227.6 656.5 0.0 0.0 0.0 0.0 0.0 0.0
463 1972.2 239.4 1129.0 0.0 0.0 0.0 0.0 0.0 0.0
463 1760.7 227.6 661.8 0.0 0.0 0.0 0.0 0.0 0.0
464 1972.2 239.4 1131.6 0.0 0.0 0.0 0.0 0.0 0.0
464 1760.7 227.7 669.8 0.0 0.0 0.0 0.0 0.0 0.0
465 1719.8 258.3 1035.6 0.0 0.0 0.0 0.0 0.0 0.0
465 1760.7 253.1 607.0 0.0 0.0 0.0 0.0 0.0 0.0
466 1917.6 263.2 1037.5 0.0 0.0 0.0 0.0 0.0 0.0
466 1760.7 254.0 610.1 0.0 0.0 0.0 0.0 0.0 0.0
467 1925.0 262.6 1050.5 0.0 0.0 0.0 0.0 0.0 0.0
467 1760.7 254.1 614.5 0.0 0.0 0.0 0.0 0.0 0.0
468 1917.5 262.0 1038.8 0.0 0.0 0.0 0.0 0.0 0.0
468 1760.7 254.1 609.0 0.0 0.0 0.0 0.0 0.0 0.0
469 1905.2 261.1 1032.7 0.0 0.0 0.0 0.0 0.0 0.0
469 1760.7 254.0 617.4 0.0 0.0 0.0 0.0 0.0 0.0
470 1898.4 257.9 1032.6 0.0 0.0 0.0 0.0 0.0 0.0
470 1760.7 254.0 618.4 0.0 0.0 0.0 0.0 0.0 0.0
471 1919.0 260.6 1049.4 0.0 0.0 0.0 0.0 0.0 0.0
471 1760.7 254.1 623.2 0.0 0.0 0.0 0.0 0.0 0.0
472 1920.6 260.4 1051.8 0.0 0.0 0.0 0.0 0.0 0.0
472 1760.7 254.1 629.5 0.0 0.0 0.0 0.0 0.0 0.0
473 1704.0 281.6 1004.5 0.0 0.0 0.0 0.0 0.0 0.0
473 1760.7 279.0 586.2 0.0 0.0 0.0 0.0 0.0 0.0
474 1901.6 289.0 998.6 0.0 0.0 0.0 0.0 0.0 0.0
474 1760.7 279.6 588.7 0.0 0.0 0.0 0.0 0.0 0.0
475 1901.6 287.7 1001.5 0.0 0.0 0.0 0.0 0.0 0.0
475 1760.7 279.5 591.1 0.0 0.0 0.0 0.0 0.0 0.0
476 1894.9 281.9 1003.4 0.0 0.0 0.0 0.0 0.0 0.0
476 1760.7 279.6 595.3 0.0 0.0 0.0 0.0 0.0 0.0
477 1918.9 278.6 1029.4 0.0 0.0 0.0 0.0 0.0 0.0
477 1760.7 279.6 593.6 0.0 0.0 0.0 0.0 0.0 0.0
478 1889.5 275.8 1003.4 0.0 0.0 0.0 0.0 0.0 0.0
478 1760.7 279.5 598.2 0.0 0.0 0.0 0.0 0.0 0.0
479 1907.5 279.8 1021.3 0.0 0.0 0.0 0.0 0.0 0.0
479 1760.7 279.6 602.6 0.0 0.0 0.0 0.0 0.0 0.0
480 1910.1 281.5 1024.5 0.0 0.0 0.0 0.0 0.0 0.0
480 1760.7 279.6 611.5 0.0 0.0 0.0 0.0 0.0 0.0
481 1751.6 235.4 1104.1 0.0 0.0 0.0 0.0 0.0 0.0
481 1760.8 228.0 643.8 0.0 0.0 0.0 0.0 0.0 0.0
482 1957.8 238.2 1108.1 0.0 0.0 0.0 0.0 0.0 0.0
482 1760.8 228.9 647.1 0.0 0.0 0.0 0.0 0.0 0.0
483 1954.4 239.7 1105.6 0.0 0.0 0.0 0.0 0.0 0.0
483 1760.8 229.0 649.8 0.0 0.0 0.0 0.0 0.0 0.0
484 1957.1 238.5 1108.4 0.0 0.0 0.0 0.0 0.0 0.0
484 1760.8 228.9 647.3 0.0 0.0 0.0 0.0 0.0 0.0
485 1954.3 241.9 1101.6 0.0 0.0 0.0 0.0 0.0 0.0
485 1760.8 229.0 647.6 0.0 0.0 0.0 0.0 0.0 0.0
486 1946.1 238.6 1097.6 0.0 0.0 0.0 0.0 0.0 0.0
486 1760.8 229.0 654.2 0.0 0.0 0.0 0.0 0.0 0.0
487 1962.3 240.2 1116.2 0.0 0.0 0.0 0.0 0.0 0.0
487 1760.8 229.0 658.9 0.0 0.0 0.0 0.0 0.0 0.0
488 1965.8 240.2 1126.5 0.0 0.0 0.0 0.0 0.0 0.0
488 1760.8 229.0 671.6 0.0 0.0 0.0 0.0 0.0 0.0
489 1754.6 233.2 1089.6 0.0 0.0 0.0 0.0 0.0 0.0
489 1760.7 225.8 635.7 0.0 0.0 0.0 0.0 0.0 0.0
490 1941.7 235.9 1090.2 0.0 0.0 0.0 0.0 0.0 0.0
490 1760.7 227.0 638.7 0.0 0.0 0.0 0.0 0.0 0.0
491 1942.4 237.1 1090.9 0.0 0.0 0.0 0.0 0.0 0.0
491 1760.7 226.8 640.2 0.0 0.0 0.0 0.0 0.0 0.0
492 1936.0 235.9 1087.4 0.0 0.0 0.0 0.0 0.0 0.0
492 1760.7 227.0 640.6 0.0 0.0 0.0 0.0 0.0 0.0
493 1936.5 238.9 1081.6 0.0 0.0 0.0 0.0 0.0 0.0
493 1760.7 226.9 640.3 0.0 0.0 0.0 0.0 0.0 0.0
494 1926.0 235.4 1078.9 0.0 0.0 0.0 0.0 0.0 0.0
494 1760.7 226.9 646.2 0.0 0.0 0.0 0.0 0.0 0.0
495 1956.4 237.4 1107.1 0.0 0.0 0.0 0.0 0.0 0.0
495 1760.7 226.9 650.8 0.0 0.0 0.0 0.0 0.0 0.0
496 1959.2 237.5 1116.1 0.0 0.0 0.0 0.0 0.0 0.0
496 1760.7 226.9 659.7 0.0 0.0 0.0 0.0 0.0 0.0
497 1585.9 502.4 666.7 0.0 0.0 0.0 0.0 0.0 0.0
497 1760.8 493.3 387.4 0.0 0.0 0.0 0.0 0.0 0.0
498 1742.8 472.4 665.9 0.0 0.0 0.0 0.0 0.0 0.0
498 1760.8 493.9 391.0 0.0 0.0 0.0 0.0 0.0 0.0
499 1717.8 456.4 657.1 0.0 0.0 0.0 0.0 0.0 0.0
499 1760.8 493.8 390.3 0.0 0.0 0.0 0.0 0.0 0.0
500 1728.4 465.1 662.2 0.0 0.0 0.0 0.0 0.0 0.0
500 1760.8 493.9 390.2 0.0 0.0 0.0 0.0 0.0 0.0
501 1757.8 490.0 663.6 0.0 0.0 0.0 0.0 0.0 0.0
501 1760.8 493.9 394.2 0.0 0.0 0.0 0.0 0.0 0.0
502 1754.2 497.1 657.8 0.0 0.0 0.0 0.0 0.0 0.0
502 1760.8 493.9 396.9 0.0 0.0 0.0 0.0 0.0 0.0
503 1735.6 456.7 675.0 0.0 0.0 0.0 0.0 0.0 0.0
503 1760.8 493.8 394.7 0.0 0.0 0.0 0.0 0.0 0.0
504 1727.2 452.4 676.5 0.0 0.0 0.0 0.0 0.0 0.0
504 1760.8 493.8 408.2 0.0 0.0 0.0 0.0 0.0 0.0
505 1748.9 237.1 1091.9 0.0 0.0 0.0 0.0 0.0 0.0
505 1760.7 229.6 641.0 0.0 0.0 0.0 0.0 0.0 0.0
506 1941.4 238.8 1091.9 0.0 0.0 0.0 0.0 0.0 0.0
506 1760.7 230.4 644.1 0.0 0.0 0.0 0.0 0.0 0.0
507 1941.1 240.9 1089.7 0.0 0.0 0.0 0.0 0.0 0.0
507 1760.7 230.5 646.2 0.0 0.0 0.0 0.0 0.0 0.0
508 1938.2 239.6 1091.1 0.0 0.0 0.0 0.0 0.0 0.0
508 1760.7 230.5 647.0 0.0 0.0 0.0 0.0 0.0 0.0
509 1942.1 242.7 1088.8 0.0 0.0 0.0 0.0 0.0 0.0
509 1760.7 230.5 644.5 0.0 0.0 0.0 0.0 0.0 0.0
510 1937.3 239.5 1088.5 0.0 0.0 0.0 0.0 0.0 0.0
510 1760.7 230.5 651.5 0.0 0.0 0.0 0.0 0.0 0.0
511 1955.4 241.0 1108.0 0.0 0.0 0.0 0.0 0.0 0.0
511 1760.7 230.5 656.5 0.0 0.0 0.0 0.0 0.0 0.0
512 1959.0 241.5 1113.8 0.0 0.0 0.0 0.0 0.0 0.0
512 1760.7 230.4 664.7 0.0 0.0 0.0 0.0 0.0 0.0
513 1722.4 257.6 1043.2 0.0 0.0 0.0 0.0 0.0 0.0
513 1760.7 253.9 608.5 0.0 0.0 0.0 0.0 0.0 0.0
514 1919.6 263.5 1041.1 0.0 0.0 0.0 0.0 0.0 0.0
514 1760.7 254.7 612.2 0.0 0.0 0.0 0.0 0.0 0.0
515 1915.9 266.1 1037.6 0.0 0.0 0.0 0.0 0.0 0.0
515 1760.7 254.8 616.6 0.0 0.0 0.0 0.0 0.0 0.0
516 1910.1 264.5 1039.9 0.0 0.0 0.0 0.0 0.0 0.0
516 1760.7 254.8 610.8 0.0 0.0 0.0 0.0 0.0 0.0
517 1913.7 263.0 1037.6 0.0 0.0 0.0 0.0 0.0 0.0
517 1760.7 254.7 615.8 0.0 0.0 0.0 0.0 0.0 0.0
518 1906.6 258.9 1037.3 0.0 0.0 0.0 0.0 0.0 0.0
518 1760.7 254.8 621.3 0.0 0.0 0.0 0.0 0.0 0.0
519 1931.9 260.2 1062.4 0.0 0.0 0.0 0.0 0.0 0.0
519 1760.7 254.7 626.3 0.0 0.0 0.0 0.0 0.0 0.0
520 1935.3 262.8 1068.3 0.0 0.0 0.0 0.0 0.0 0.0
520 1760.7 254.9 633.5 0.0 0.0 0.0 0.0 0.0 0.0
521 1747.3 235.5 1087.3 0.0 0.0 0.0 0.0 0.0 0.0
521 1760.8 228.1 636.2 0.0 0.0 0.0 0.0 0.0 0.0
522 1942.6 237.4 1089.0 0.0 0.0 0.0 0.0 0.0 0.0
522 1760.8 229.0 640.4 0.0 0.0 0.0 0.0 0.0 0.0
523 1938.2 238.9 1084.6 0.0 0.0 0.0 0.0 0.0 0.0
523 1760.8 229.1 641.5 0.0 0.0 0.0 0.0 0.0 0.0
524 1944.0 237.9 1093.5 0.0 0.0 0.0 0.0 0.0 0.0
524 1760.8 229.0 640.7 0.0 0.0 0.0 0.0 0.0 0.0
525 1940.3 241.3 1084.3 0.0 0.0 0.0 0.0 0.0 0.0
525 1760.8 229.0 640.9 0.0 0.0 0.0 0.0 0.0 0.0
526 1945.6 237.6 1092.9 0.0 0.0 0.0 0.0 0.0 0.0
526 1760.8 229.0 646.3 0.0 0.0 0.0 0.0 0.0 0.0
527 1954.5 239.4 1103.2 0.0 0.0 0.0 0.0 0.0 0.0
527 1760.8 229.1 647.6 0.0 0.0 0.0 0.0 0.0 0.0
528 1956.3 239.8 1111.1 0.0 0.0 0.0 0.0 0.0 0.0
528 1760.8 229.0 665.4 0.0 0.0 0.0 0.0 0.0 0.0
529 1695.3 282.1 993.3 0.0 0.0 0.0 0.0 0.0 0.0
529 1760.8 280.8 582.6 0.0 0.0 0.0 0.0 0.0 0.0
530 1898.1 290.7 993.8 0.0 0.0 0.0 0.0 0.0 0.0
530 1760.8 281.5 584.6 0.0 0.0 0.0 0.0 0.0 0.0
531 1891.1 289.8 991.4 0.0 0.0 0.0 0.0 0.0 0.0
531 1760.8 281.5 590.9 0.0 0.0 0.0 0.0 0.0 0.0
532 1884.2 282.1 993.3 0.0 0.0 0.0 0.0 0.0 0.0
532 1760.8 281.5 588.1 0.0 0.0 0.0 0.0 0.0 0.0
533 1870.7 279.9 1002.0 0.0 0.0 0.0 0.0 0.0 0.0
533 1760.8 281.6 594.4 0.0 0.0 0.0 0.0 0.0 0.0
534 1877.7 277.5 990.7 0.0 0.0 0.0 0.0 0.0 0.0
534 1760.8 281.5 598.7 0.0 0.0 0.0 0.0 0.0 0.0
535 1895.1 280.8 1008.0 0.0 0.0 0.0 0.0 0.0 0.0
535 1760.8 281.5 604.0 0.0 0.0 0.0 0.0 0.0 0.0
536 1901.5 282.4 1012.9 0.0 0.0 0.0 0.0 0.0 0.0
536 1760.8 281.6 606.6 0.0 0.0 0.0 0.0 0.0 0.0
537 1733.1 266.6 1045.1 0.0 0.0 0.0 0.0 0.0 0.0
537 1760.8 262.3 608.8 0.0 0.0 0.0 0.0 0.0 0.0
538 1939.8 271.1 1059.5 0.0 0.0 0.0 0.0 0.0 0.0
538 1760.8 263.1 614.1 0.0 0.0 0.0 0.0 0.0 0.0
539 1916.8 274.0 1035.2 0.0 0.0 0.0 0.0 0.0 0.0
539 1760.8 263.2 617.7 0.0 0.0 0.0 0.0 0.0 0.0
540 1918.3 271.1 1036.8 0.0 0.0 0.0 0.0 0.0 0.0
540 1760.8 263.1 610.4 0.0 0.0 0.0 0.0 0.0 0.0
541 1921.2 274.9 1037.2 0.0 0.0 0.0 0.0 0.0 0.0
541 1760.8 263.1 616.8 0.0 0.0 0.0 0.0 0.0 0.0
542 1909.1 264.5 1041.1 0.0 0.0 0.0 0.0 0.0 0.0
542 1760.8 263.1 620.5 0.0 0.0 0.0 0.0 0.0 0.0
543 1930.6 268.3 1058.8 0.0 0.0 0.0 0.0 0.0 0.0
543 1760.8 263.1 625.5 0.0 0.0 0.0 0.0 0.0 0.0
544 1938.4 271.2 1064.8 0.0 0.0 0.0 0.0 0.0 0.0
544 1760.8 263.2 633.2 0.0 0.0 0.0 0.0 0.0 0.0
545 1752.3 234.6 1093.7 0.0 0.0 0.0 0.0 0.0 0.0
545 1760.8 226.4 638.9 0.0 0.0 0.0 0.0 0.0 0.0
546 1946.3 236.8 1094.1 0.0 0.0 0.0 0.0 0.0 0.0
546 1760.8 227.1 642.5 0.0 0.0 0.0 0.0 0.0 0.0
547 1949.6 237.9 1097.4 0.0 0.0 0.0 0.0 0.0 0.0
547 1760.8 227.1 643.6 0.0 0.0 0.0 0.0 0.0 0.0
548 1947.0 237.2 1095.7 0.0 0.0 0.0 0.0 0.0 0.0
548 1760.8 227.2 642.0 0.0 0.0 0.0 0.0 0.0 0.0
549 1944.0 240.0 1090.2 0.0 0.0 0.0 0.0 0.0 0.0
549 1760.8 227.1 644.3 0.0 0.0 0.0 0.0 0.0 0.0
550 1937.1 236.6 1088.7 0.0 0.0 0.0 0.0 0.0 0.0
550 1760.8 227.1 648.7 0.0 0.0 0.0 0.0 0.0 0.0
551 1960.8 238.7 1111.4 0.0 0.0 0.0 0.0 0.0 0.0
551 1760.8 227.1 652.0 0.0 0.0 0.0 0.0 0.0 0.0
552 1954.5 238.4 1110.9 0.0 0.0 0.0 0.0 0.0 0.0
552 1760.8 227.2 667.5 0.0 0.0 0.0 0.0 0.0 0.0
553 1885.5 417.8 860.5 0.0 0.0 0.0 0.0 0.0 0.0
553 1760.7 412.3 500.3 0.0 0.0 0.0 0.0 0.0 0.0
554 1989.5 407.1 870.5 0.0 0.0 0.0 0.0 0.0 0.0
554 1760.7 412.5 503.8 0.0 0.0 0.0 0.0 0.0 0.0
555 1943.7 383.6 856.1 0.0 0.0 0.0 0.0 0.0 0.0
555 1760.7 412.5 504.0 0.0 0.0 0.0 0.0 0.0 0.0
556 1969.3 404.6 862.2 0.0 0.0 0.0 0.0 0.0 0.0
556 1760.7 412.6 504.1 0.0 0.0 0.0 0.0 0.0 0.0
557 1950.2 418.7 856.0 0.0 0.0 0.0 0.0 0.0 0.0
557 1760.7 412.6 507.3 0.0 0.0 0.0 0.0 0.0 0.0
558 1905.2 383.5 856.6 0.0 0.0 0.0 0.0 0.0 0.0
558 1760.7 412.5 510.0 0.0 0.0 0.0 0.0 0.0 0.0
559 1910.5 381.0 870.8 0.0 0.0 0.0 0.0 0.0 0.0
559 1760.7 412.8 512.6 0.0 0.0 0.0 0.0 0.0 0.0
560 1957.9 389.2 873.5 0.0 0.0 0.0 0.0 0.0 0.0
560 1760.7 412.8 519.9 0.0 0.0 0.0 0.0 0.0 0.0
561 1719.8 259.9 1043.6 0.0 0.0 0.0 0.0 0.0 0.0
561 1760.7 257.4 609.8 0.0 0.0 0.0 0.0 0.0 0.0
562 1927.3 264.3 1048.3 0.0 0.0 0.0 0.0 0.0 0.0
562 1760.7 258.0 613.2 0.0 0.0 0.0 0.0 0.0 0.0
563 1917.0 269.5 1038.5 0.0 0.0 0.0 0.0 0.0 0.0
563 1760.7 258.1 619.6 0.0 0.0 0.0 0.0 0.0 0.0
564 1924.8 266.3 1049.3 0.0 0.0 0.0 0.0 0.0 0.0
564 1760.7 258.1 613.1 0.0 0.0 0.0 0.0 0.0 0.0
565 1912.4 267.6 1033.5 0.0 0.0 0.0 0.0 0.0 0.0
565 1760.7 258.1 619.0 0.0 0.0 0.0 0.0 0.0 0.0
566 1904.9 261.1 1037.4 0.0 0.0 0.0 0.0 0.0 0.0
566 1760.7 258.2 623.4 0.0 0.0 0.0 0.0 0.0 0.0
567 1932.2 262.7 1062.8 0.0 0.0 0.0 0.0 0.0 0.0
567 1760.7 258.1 626.9 0.0 0.0 0.0 0.0 0.0 0.0
568 1912.1 263.7 1067.4 0.0 0.0 0.0 0.0 0.0 0.0
568 1760.7 258.2 638.3 0.0 0.0 0.0 0.0 0.0 0.0
569 1763.2 236.4 1105.0 0.0 0.0 0.0 0.0 0.0 0.0
569 1760.7 229.4 635.8 0.0 0.0 0.0 0.0 0.0 0.0
570 1946.2 238.5 1100.9 0.0 0.0 0.0 0.0 0.0 0.0
570 1760.7 230.2 639.7 0.0 0.0 0.0 0.0 0.0 0.0
571 1954.8 240.2 1103.5 0.0 0.0 0.0 0.0 0.0 0.0
571 1760.7 230.0 639.3 0.0 0.0 0.0 0.0 0.0 0.0
572 1953.1 239.4 1099.4 0.0 0.0 0.0 0.0 0.0 0.0
572 1760.7 230.3 639.8 0.0 0.0 0.0 0.0 0.0 0.0
573 1958.3 242.3 1109.3 0.0 0.0 0.0 0.0 0.0 0.0
573 1760.7 230.3 642.7 0.0 0.0 0.0 0.0 0.0 0.0
574 1946.1 238.8 1096.9 0.0 0.0 0.0 0.0 0.0 0.0
574 1760.7 230.3 646.1 0.0 0.0 0.0 0.0 0.0 0.0
575 1965.3 241.2 1117.3 0.0 0.0 0.0 0.0 0.0 0.0
575 1760.7 230.3 652.9 0.0 0.0 0.0 0.0 0.0 0.0
576 1966.5 241.4 1122.9 0.0 0.0 0.0 0.0 0.0 0.0
576 1760.7 230.3 657.7 0.0 0.0 0.0 0.0 0.0 0.0
577 1741.7 234.0 1085.8 0.0 0.0 0.0 0.0 0.0 0.0
577 1760.8 227.7 635.9 0.0 0.0 0.0 0.0 0.0 0.0
578 1937.5 236.6 1085.7 0.0 0.0 0.0 0.0 0.0 0.0
578 1760.8 228.7 639.5 0.0 0.0 0.0 0.0 0.0 0.0
579 1933.8 237.9 1083.9 0.0 0.0 0.0 0.0 0.0 0.0
579 1760.8 228.7 640.7 0.0 0.0 0.0 0.0 0.0 0.0
580 1934.5 236.6 1087.4 0.0 0.0 0.0 0.0 0.0 0.0
580 1760.8 228.7 640.1 0.0 0.0 0.0 0.0 0.0 0.0
581 1941.5 240.8 1087.6 0.0 0.0 0.0 0.0 0.0 0.0
581 1760.8 228.7 642.5 0.0 0.0 0.0 0.0 0.0 0.0
582 1926.8 236.6 1084.2 0.0 0.0 0.0 0.0 0.0 0.0
582 1760.8 228.8 646.0 0.0 0.0 0.0 0.0 0.0 0.0
583 1952.7 238.8 1105.4 0.0 0.0 0.0 0.0 0.0 0.0
583 1760.8 228.8 648.5 0.0 0.0 0.0 0.0 0.0 0.0
584 1950.1 239.1 1109.8 0.0 0.0 0.0 0.0 0.0 0.0
584 1760.8 228.8 661.5 0.0 0.0 0.0 0.0 0.0 0.0
585 1696.0 282.6 993.7 0.0 0.0 0.0 0.0 0.0 0.0
585 1760.7 282.2 579.7 0.0 0.0 0.0 0.0 0.0 0.0
586 1897.2 291.7 990.8 0.0 0.0 0.0 0.0 0.0 0.0
586 1760.7 282.8 582.5 0.0 0.0 0.0 0.0 0.0 0.0
587 1896.9 291.8 994.9 0.0 0.0 0.0 0.0 0.0 0.0
587 1760.7 282.9 588.8 0.0 0.0 0.0 0.0 0.0 0.0
588 1884.8 282.5 989.3 0.0 0.0 0.0 0.0 0.0 0.0
588 1760.7 283.0 586.3 0.0 0.0 0.0 0.0 0.0 0.0
589 1894.7 280.2 1001.3 0.0 0.0 0.0 0.0 0.0 0.0
589 1760.7 282.9 584.5 0.0 0.0 0.0 0.0 0.0 0.0
590 1878.4 276.9 990.9 0.0 0.0 0.0 0.0 0.0 0.0
590 1760.7 282.9 592.9 0.0 0.0 0.0 0.0 0.0 0.0
591 1900.6 281.4 1012.7 0.0 0.0 0.0 0.0 0.0 0.0
591 1760.7 282.9 597.8 0.0 0.0 0.0 0.0 0.0 0.0
592 1908.0 284.3 1018.2 0.0 0.0 0.0 0.0 0.0 0.0
592 1760.7 282.8 604.1 0.0 0.0 0.0 0.0 0.0 0.0
593 1749.8 234.0 1091.2 0.0 0.0 0.0 0.0 0.0 0.0
593 1760.8 227.3 635.5 0.0 0.0 0.0 0.0 0.0 0.0
594 1945.6 236.2 1094.6 0.0 0.0 0.0 0.0 0.0 0.0
594 1760.8 228.1 639.2 0.0 0.0 0.0 0.0 0.0 0.0
595 1941.8 237.3 1091.9 0.0 0.0 0.0 0.0 0.0 0.0
595 1760.8 228.2 641.3 0.0 0.0 0.0 0.0 0.0 0.0
596 1937.6 236.1 1088.7 0.0 0.0 0.0 0.0 0.0 0.0
596 1760.8 228.2 640.7 0.0 0.0 0.0 0.0 0.0 0.0
597 1931.8 238.8 1078.2 0.0 0.0 0.0 0.0 0.0 0.0
597 1760.8 228.2 639.1 0.0 0.0 0.0 0.0 0.0 0.0
598 1923.5 235.8 1077.1 0.0 0.0 0.0 0.0 0.0 0.0
598 1760.8 228.2 646.6 0.0 0.0 0.0 0.0 0.0 0.0
599 1952.6 237.6 1107.7 0.0 0.0 0.0 0.0 0.0 0.0
599 1760.8 228.2 649.6 0.0 0.0 0.0 0.0 0.0 0.0
600 1956.8 238.1 1114.9 0.0 0.0 0.0 0.0 0.0 0.0
600 1760.8 228.3 659.0 0.0 0.0 0.0 0.0 0.0 0.0
601 1732.4 259.8 1040.3 0.0 0.0 0.0 0.0 0.0 0.0
601 1760.7 257.1 602.6 0.0 0.0 0.0 0.0 0.0 0.0
602 1922.0 265.0 1042.3 0.0 0.0 0.0 0.0 0.0 0.0
602 1760.7 258.0 607.2 0.0 0.0 0.0 0.0 0.0 0.0
603 1919.8 268.2 1037.2 0.0 0.0 0.0 0.0 0.0 0.0
603 1760.7 257.9 609.1 0.0 0.0 0.0 0.0 0.0 0.0
604 1920.1 265.2 1039.0 0.0 0.0 0.0 0.0 0.0 0.0
604 1760.7 258.0 609.8 0.0 0.0 0.0 0.0 0.0 0.0
605 1935.7 265.9 1056.4 0.0 0.0 0.0 0.0 0.0 0.0
605 1760.7 257.9 603.3 0.0 0.0 0.0 0.0 0.0 0.0
606 1903.2 259.7 1031.6 0.0 0.0 0.0 0.0 0.0 0.0
606 1760.7 257.9 615.1 0.0 0.0 0.0 0.0 0.0 0.0
607 1929.6 261.6 1058.4 0.0 0.0 0.0 0.0 0.0 0.0
607 1760.7 258.0 619.7 0.0 0.0 0.0 0.0 0.0 0.0
608 1936.3 264.1 1066.8 0.0 0.0 0.0 0.0 0.0 0.0
608 1760.7 258.0 629.0 0.0 0.0 0.0 0.0 0.0 0.0
609 1757.6 237.6 1103.7 0.0 0.0 0.0 0.0 0.0 0.0
609 1760.8 230.7 637.4 0.0 0.0 0.0 0.0 0.0 0.0
610 1957.0 240.4 1107.0 0.0 0.0 0.0 0.0 0.0 0.0
610 1760.8 231.8 641.0 0.0 0.0 0.0 0.0 0.0 0.0
611 1944.5 241.3 1096.9 0.0 0.0 0.0 0.0 0.0 0.0
611 1760.8 231.8 642.3 0.0 0.0 0.0 0.0 0.0 0.0
612 1957.6 240.5 1107.4 0.0 0.0 0.0 0.0 0.0 0.0
612 1760.8 231.9 641.4 0.0 0.0 0.0 0.0 0.0 0.0
613 1960.9 243.5 1107.5 0.0 0.0 0.0 0.0 0.0 0.0
613 1760.8 231.8 641.1 0.0 0.0 0.0 0.0 0.0 0.0
614 1942.4 240.2 1094.0 0.0 0.0 0.0 0.0 0.0 0.0
614 1760.8 231.8 647.9 0.0 0.0 0.0 0.0 0.0 0.0
615 1962.5 242.2 1113.1 0.0 0.0 0.0 0.0 0.0 0.0
615 1760.8 231.8 651.8 0.0 0.0 0.0 0.0 0.0 0.0
616 1966.7 242.3 1122.9 0.0 0.0 0.0 0.0 0.0 0.0
616 1760.8 231.8 665.6 0.0 0.0 0.0 0.0 0.0 0.0
617 1756.6 233.5 1093.2 0.0 0.0 0.0 0.0 0.0 0.0
617 1760.8 226.0 634.2 0.0 0.0 0.0 0.0 0.0 0.0
618 1948.2 236.1 1095.2 0.0 0.0 0.0 0.0 0.0 0.0
618 1760.8 227.1 636.4 0.0 0.0 0.0 0.0 0.0 0.0
619 1935.5 237.2 1084.1 0.0 0.0 0.0 0.0 0.0 0.0
619 1760.8 227.1 639.9 0.0 0.0 0.0 0.0 0.0 0.0
620 1939.5 236.6 1088.2 0.0 0.0 0.0 0.0 0.0 0.0
620 1760.8 227.3 638.5 0.0 0.0 0.0 0.0 0.0 0.0
621 1939.1 239.0 1084.1 0.0 0.0 0.0 0.0 0.0 0.0
621 1760.8 227.2 639.4 0.0 0.0 0.0 0.0 0.0 0.0
622 1932.2 236.0 1088.3 0.0 0.0 0.0 0.0 0.0 0.0
622 1760.8 227.3 645.1 0.0 0.0 0.0 0.0 0.0 0.0
623 1959.9 238.2 1110.5 0.0 0.0 0.0 0.0 0.0 0.0
623 1760.8 227.4 648.1 0.0 0.0 0.0 0.0 0.0 0.0
624 1955.4 238.3 1113.9 0.0 0.0 0.0 0.0 0.0 0.0
624 1760.8 227.4 661.4 0.0 0.0 0.0 0.0 0.0 0.0
625 1754.7 232.0 1096.7 0.0 0.0 0.0 0.0 0.0 0.0
625 1760.7 224.6 636.2 0.0 0.0 0.0 0.0 0.0 0.0
626 1949.6 234.2 1100.2 0.0 0.0 0.0 0.0 0.0 0.0
626 1760.7 225.5 639.0 0.0 0.0 0.0 0.0 0.0 0.0
627 1937.9 235.2 1089.4 0.0 0.0 0.0 0.0 0.0 0.0
627 1760.7 225.3 641.5 0.0 0.0 0.0 0.0 0.0 0.0
628 1937.1 235.0 1090.3 0.0 0.0 0.0 0.0 0.0 0.0
628 1760.7 225.6 641.7 0.0 0.0 0.0 0.0 0.0 0.0
629 1955.4 237.5 1101.9 0.0 0.0 0.0 0.0 0.0 0.0
629 1760.7 225.5 639.2 0.0 0.0 0.0 0.0 0.0 0.0
630 1938.6 234.4 1091.4 0.0 0.0 0.0 0.0 0.0 0.0
630 1760.7 225.5 648.2 0.0 0.0 0.0 0.0 0.0 0.0
631 1961.5 236.2 1115.2 0.0 0.0 0.0 0.0 0.0 0.0
631 1760.7 225.6 649.8 0.0 0.0 0.0 0.0 0.0 0.0
632 1959.7 236.3 1120.2 0.0 0.0 0.0 0.0 0.0 0.0
632 1760.7 225.6 665.4 0.0 0.0 0.0 0.0 0.0 0.0
633 1703.7 285.2 1015.3 0.0 0.0 0.0 0.0 0.0 0.0
633 1760.7 284.5 584.5 0.0 0.0 0.0 0.0 0.0 0.0
634 1911.7 293.3 1010.6 0.0 0.0 0.0 0.0 0.0 0.0
634 1760.7 285.4 585.9 0.0 0.0 0.0 0.0 0.0 0.0
635 1905.9 295.6 1004.9 0.0 0.0 0.0 0.0 0.0 0.0
635 1760.7 285.3 591.0 0.0 0.0 0.0 0.0 0.0 0.0
636 1893.8 286.1 1005.6 0.0 0.0 0.0 0.0 0.0 0.0
636 1760.7 285.2 592.2 0.0 0.0 0.0 0.0 0.0 0.0
637 1906.7 283.0 1024.5 0.0 0.0 0.0 0.0 0.0 0.0
637 1760.7 285.4 597.8 0.0 0.0 0.0 0.0 0.0 0.0
638 1885.5 280.7 1003.7 0.0 0.0 0.0 0.0 0.0 0.0
638 1760.7 285.3 601.1 0.0 0.0 0.0 0.0 0.0 0.0
639 1903.2 284.2 1021.9 0.0 0.0 0.0 0.0 0.0 0.0
639 1760.7 285.4 608.8 0.0 0.0 0.0 0.0 0.0 0.0
640 1904.5 285.7 1039.3 0.0 0.0 0.0 0.0 0.0 0.0
640 1760.7 285.4 603.4 0.0 0.0 0.0 0.0 0.0 0.0
641 1734.4 261.6 1046.9 0.0 0.0 0.0 0.0 0.0 0.0
641 1760.7 260.1 602.8 0.0 0.0 0.0 0.0 0.0 0.0
642 1927.9 268.5 1048.7 0.0 0.0 0.0 0.0 0.0 0.0
642 1760.7 260.7 605.2 0.0 0.0 0.0 0.0 0.0 0.0
643 1921.9 271.0 1037.7 0.0 0.0 0.0 0.0 0.0 0.0
643 1760.7 260.8 608.5 0.0 0.0 0.0 0.0 0.0 0.0
644 1933.0 269.1 1051.6 0.0 0.0 0.0 0.0 0.0 0.0
644 1760.7 260.8 606.8 0.0 0.0 0.0 0.0 0.0 0.0
645 1921.2 270.7 1038.5 0.0 0.0 0.0 0.0 0.0 0.0
645 1760.7 260.8 609.7 0.0 0.0 0.0 0.0 0.0 0.0
646 1910.6 260.8 1037.3 0.0 0.0 0.0 0.0 0.0 0.0
646 1760.7 260.7 612.3 0.0 0.0 0.0 0.0 0.0 0.0
647 1931.8 265.5 1057.2 0.0 0.0 0.0 0.0 0.0 0.0
647 1760.7 260.9 617.6 0.0 0.0 0.0 0.0 0.0 0.0
648 1931.1 268.1 1059.8 0.0 0.0 0.0 0.0 0.0 0.0
648 1760.7 260.7 631.6 0.0 0.0 0.0 0.0 0.0 0.0
649 1718.4 261.2 1038.9 0.0 0.0 0.0 0.0 0.0 0.0
649 1760.7 254.0 611.0 0.0 0.0 0.0 0.0 0.0 0.0
650 1917.4 262.0 1040.6 0.0 0.0 0.0 0.0 0.0 0.0
650 1760.7 254.8 614.9 0.0 0.0 0.0 0.0 0.0 0.0
651 1912.7 262.1 1037.2 0.0 0.0 0.0 0.0 0.0 0.0
651 1760.7 254.8 616.2 0.0 0.0 0.0 0.0 0.0 0.0
652 1921.0 260.3 1046.7 0.0 0.0 0.0 0.0 0.0 0.0
652 1760.7 254.8 618.2 0.0 0.0 0.0 0.0 0.0 0.0
653 1909.8 260.6 1040.3 0.0 0.0 0.0 0.0 0.0 0.0
653 1760.7 254.7 621.0 0.0 0.0 0.0 0.0 0.0 0.0
654 1904.6 258.8 1033.3 0.0 0.0 0.0 0.0 0.0 0.0
654 1760.7 254.8 622.8 0.0 0.0 0.0 0.0 0.0 0.0
655 1931.9 260.2 1063.1 0.0 0.0 0.0 0.0 0.0 0.0
655 1760.7 254.8 628.0 0.0 0.0 0.0 0.0 0.0 0.0
656 1928.3 259.8 1058.5 0.0 0.0 0.0 0.0 0.0 0.0
656 1760.7 254.8 627.9 0.0 0.0 0.0 0.0 0.0 0.0
657 1739.7 263.1 1043.3 0.0 0.0 0.0 0.0 0.0 0.0
657 1760.7 259.8 601.0 0.0 0.0 0.0 0.0 0.0 0.0
658 1924.8 268.2 1040.8 0.0 0.0 0.0 0.0 0.0 0.0
658 1760.7 260.5 604.7 0.0 0.0 0.0 0.0 0.0 0.0
659 1922.7 270.9 1037.6 0.0 0.0 0.0 0.0 0.0 0.0
659 1760.7 260.5 606.8 0.0 0.0 0.0 0.0 0.0 0.0
660 1927.2 269.9 1037.6 0.0 0.0 0.0 0.0 0.0 0.0
660 1760.7 260.7 605.8 0.0 0.0 0.0 0.0 0.0 0.0
661 1919.9 271.5 1035.6 0.0 0.0 0.0 0.0 0.0 0.0
661 1760.7 260.4 606.3 0.0 0.0 0.0 0.0 0.0 0.0
662 1923.9 262.4 1049.7 0.0 0.0 0.0 0.0 0.0 0.0
662 1760.7 260.7 612.6 0.0 0.0 0.0 0.0 0.0 0.0
663 1929.5 265.1 1052.7 0.0 0.0 0.0 0.0 0.0 0.0
663 1760.7 260.7 616.2 0.0 0.0 0.0 0.0 0.0 0.0
664 1935.5 268.8 1059.6 0.0 0.0 0.0 0.0 0.0 0.0
664 1760.7 260.5 625.4 0.0 0.0 0.0 0.0 0.0 0.0
665 1770.8 235.6 1104.9 0.0 0.0 0.0 0.0 0.0 0.0
665 1760.7 228.6 641.3 0.0 0.0 0.0 0.0 0.0 0.0
666 1950.9 237.3 1103.1 0.0 0.0 0.0 0.0 0.0 0.0
666 1760.7 229.5 644.4 0.0 0.0 0.0 0.0 0.0 0.0
667 1946.4 238.5 1100.9 0.0 0.0 0.0 0.0 0.0 0.0
667 1760.7 229.5 646.2 0.0 0.0 0.0 0.0 0.0 0.0
668 1944.1 237.6 1105.1 0.0 0.0 0.0 0.0 0.0 0.0
668 1760.7 229.5 646.5 0.0 0.0 0.0 0.0 0.0 0.0
669 1958.8 240.8 1111.0 0.0 0.0 0.0 0.0 0.0 0.0
669 1760.7 229.5 646.5 0.0 0.0 0.0 0.0 0.0 0.0
670 1939.4 237.0 1096.3 0.0 0.0 0.0 0.0 0.0 0.0
670 1760.7 229.5 651.9 0.0 0.0 0.0 0.0 0.0 0.0
671 1963.7 239.0 1122.7 0.0 0.0 0.0 0.0 0.0 0.0
671 1760.7 229.6 656.7 0.0 0.0 0.0 0.0 0.0 0.0
672 1958.6 239.3 1122.7 0.0 0.0 0.0 0.0 0.0 0.0
672 1760.7 229.6 666.4 0.0 0.0 0.0 0.0 0.0 0.0
673 1778.2 234.0 1109.3 0.0 0.0 0.0 0.0 0.0 0.0
673 1760.8 227.3 638.6 0.0 0.0 0.0 0.0 0.0 0.0
674 1956.1 236.1 1108.3 0.0 0.0 0.0 0.0 0.0 0.0
674 1760.8 228.0 642.7 0.0 0.0 0.0 0.0 0.0 0.0
675 1949.8 237.4 1101.0 0.0 0.0 0.0 0.0 0.0 0.0
675 1760.8 228.0 643.5 0.0 0.0 0.0 0.0 0.0 0.0
676 1949.8 236.3 1100.6 0.0 0.0 0.0 0.0 0.0 0.0
676 1760.8 228.1 641.5 0.0 0.0 0.0 0.0 0.0 0.0
677 1958.1 239.6 1106.5 0.0 0.0 0.0 0.0 0.0 0.0
677 1760.8 228.0 643.0 0.0 0.0 0.0 0.0 0.0 0.0
678 1939.1 236.2 1093.6 0.0 0.0 0.0 0.0 0.0 0.0
678 1760.8 228.1 649.9 0.0 0.0 0.0 0.0 0.0 0.0
679 1961.8 237.9 1117.6 0.0 0.0 0.0 0.0 0.0 0.0
679 1760.8 228.1 655.9 0.0 0.0 0.0 0.0 0.0 0.0
680 1961.3 238.3 1120.8 0.0 0.0 0.0 0.0 0.0 0.0
680 1760.8 228.1 663.5 0.0 0.0 0.0 0.0 0.0 0.0
681 1723.2 256.3 1046.6 0.0 0.0 0.0 0.0 0.0 0.0
681 1760.8 254.3 609.8 0.0 0.0 0.0 0.0 0.0 0.0
682 1928.6 262.1 1053.1 0.0 0.0 0.0 0.0 0.0 0.0
682 1760.8 255.0 614.5 0.0 0.0 0.0 0.0 0.0 0.0
683 1922.6 264.2 1048.7 0.0 0.0 0.0 0.0 0.0 0.0
683 1760.8 255.1 617.8 0.0 0.0 0.0 0.0 0.0 0.0
684 1913.7 261.3 1042.5 0.0 0.0 0.0 0.0 0.0 0.0
684 1760.8 255.2 613.3 0.0 0.0 0.0 0.0 0.0 0.0
685 1917.1 261.9 1043.7 0.0 0.0 0.0 0.0 0.0 0.0
685 1760.8 255.1 617.0 0.0 0.0 0.0 0.0 0.0 0.0
686 1903.2 256.1 1037.7 0.0 0.0 0.0 0.0 0.0 0.0
686 1760.8 255.1 622.1 0.0 0.0 0.0 0.0 0.0 0.0
687 1917.1 257.7 1054.0 0.0 0.0 0.0 0.0 0.0 0.0
687 1760.8 255.0 629.6 0.0 0.0 0.0 0.0 0.0 0.0
688 1927.3 260.3 1060.5 0.0 0.0 0.0 0.0 0.0 0.0
688 1760.8 255.1 631.2 0.0 0.0 0.0 0.0 0.0 0.0
689 1750.2 233.7 1092.8 0.0 0.0 0.0 0.0 0.0 0.0
689 1760.7 226.9 636.3 0.0 0.0 0.0 0.0 0.0 0.0
690 1949.3 235.9 1098.6 0.0 0.0 0.0 0.0 0.0 0.0
690 1760.7 227.6 639.1 0.0 0.0 0.0 0.0 0.0 0.0
691 1933.4 236.9 1084.2 0.0 0.0 0.0 0.0 0.0 0.0
691 1760.7 227.6 641.9 0.0 0.0 0.0 0.0 0.0 0.0
692 1935.9 236.1 1089.5 0.0 0.0 0.0 0.0 0.0 0.0
692 1760.7 227.7 640.2 0.0 0.0 0.0 0.0 0.0 0.0
693 1934.3 238.9 1083.1 0.0 0.0 0.0 0.0 0.0 0.0
693 1760.7 227.6 642.6 0.0 0.0 0.0 0.0 0.0 0.0
694 1930.7 235.9 1086.0 0.0 0.0 0.0 0.0 0.0 0.0
694 1760.7 227.7 647.4 0.0 0.0 0.0 0.0 0.0 0.0
695 1948.1 237.4 1103.2 0.0 0.0 0.0 0.0 0.0 0.0
695 1760.7 227.7 654.9 0.0 0.0 0.0 0.0 0.0 0.0
696 1953.8 237.5 1109.2 0.0 0.0 0.0 0.0 0.0 0.0
696 1760.7 227.7 655.8 0.0 0.0 0.0 0.0 0.0 0.0
697 1705.9 280.8 993.4 0.0 0.0 0.0 0.0 0.0 0.0
697 1760.8 281.7 578.2 0.0 0.0 0.0 0.0 0.0 0.0
698 1896.4 289.4 995.0 0.0 0.0 0.0 0.0 0.0 0.0
698 1760.8 282.4 583.3 0.0 0.0 0.0 0.0 0.0 0.0
699 1909.6 290.8 1005.6 0.0 0.0 0.0 0.0 0.0 0.0
699 1760.8 282.4 586.3 0.0 0.0 0.0 0.0 0.0 0.0
700 1884.6 281.0 987.6 0.0 0.0 0.0 0.0 0.0 0.0
700 1760.8 282.5 579.8 0.0 0.0 0.0 0.0 0.0 0.0
701 1883.0 279.5 991.1 0.0 0.0 0.0 0.0 0.0 0.0
701 1760.8 282.5 588.8 0.0 0.0 0.0 0.0 0.0 0.0
702 1877.7 276.0 990.3 0.0 0.0 0.0 0.0 0.0 0.0
702 1760.8 282.5 592.5 0.0 0.0 0.0 0.0 0.0 0.0
703 1892.2 279.8 1005.5 0.0 0.0 0.0 0.0 0.0 0.0
703 1760.8 282.5 602.1 0.0 0.0 0.0 0.0 0.0 0.0
704 1899.2 281.4 1008.9 0.0 0.0 0.0 0.0 0.0 0.0
704 1760.8 282.4 596.6 0.0 0.0 0.0 0.0 0.0 0.0
705 1750.2 236.0 1104.4 0.0 0.0 0.0 0.0 0.0 0.0
705 1760.7 229.4 642.0 0.0 0.0 0.0 0.0 0.0 0.0
706 1954.3 238.3 1109.9 0.0 0.0 0.0 0.0 0.0 0.0
706 1760.7 230.4 644.5 0.0 0.0 0.0 0.0 0.0 0.0
707 1945.8 239.4 1099.8 0.0 0.0 0.0 0.0 0.0 0.0
707 1760.7 230.4 647.5 0.0 0.0 0.0 0.0 0.0 0.0
708 1949.2 238.4 1106.3 0.0 0.0 0.0 0.0 0.0 0.0
708 1760.7 230.4 646.2 0.0 0.0 0.0 0.0 0.0 0.0
709 1955.9 242.0 1106.8 0.0 0.0 0.0 0.0 0.0 0.0
709 1760.7 230.4 648.5 0.0 0.0 0.0 0.0 0.0 0.0
710 1936.7 238.0 1094.4 0.0 0.0 0.0 0.0 0.0 0.0
710 1760.7 230.4 653.9 0.0 0.0 0.0 0.0 0.0 0.0
711 1958.0 239.7 1116.8 0.0 0.0 0.0 0.0 0.0 0.0
711 1760.7 230.4 657.2 0.0 0.0 0.0 0.0 0.0 0.0
712 1967.7 240.1 1129.9 0.0 0.0 0.0 0.0 0.0 0.0
712 1760.7 230.4 668.1 0.0 0.0 0.0 0.0 0.0 0.0
713 1726.7 258.0 1044.5 0.0 0.0 0.0 0.0 0.0 0.0
713 1760.7 252.9 611.8 0.0 0.0 0.0 0.0 0.0 0.0
714 1934.8 261.9 1057.4 0.0 0.0 0.0 0.0 0.0 0.0
714 1760.7 253.7 615.0 0.0 0.0 0.0 0.0 0.0 0.0
715 1906.5 262.2 1033.7 0.0 0.0 0.0 0.0 0.0 0.0
715 1760.7 253.7 617.7 0.0 0.0 0.0 0.0 0.0 0.0
716 1907.7 260.4 1035.7 0.0 0.0 0.0 0.0 0.0 0.0
716 1760.7 253.8 619.6 0.0 0.0 0.0 0.0 0.0 0.0
717 1903.5 260.2 1033.6 0.0 0.0 0.0 0.0 0.0 0.0
717 1760.7 253.7 622.1 0.0 0.0 0.0 0.0 0.0 0.0
718 1901.7 257.3 1034.7 0.0 0.0 0.0 0.0 0.0 0.0
718 1760.7 253.7 623.6 0.0 0.0 0.0 0.0 0.0 0.0
719 1920.4 259.8 1054.5 0.0 0.0 0.0 0.0 0.0 0.0
719 1760.7 253.8 626.6 0.0 0.0 0.0 0.0 0.0 0.0
720 1928.8 259.1 1063.9 0.0 0.0 0.0 0.0 0.0 0.0
720 1760.7 253.8 629.7 0.0 0.0 0.0 0.0 0.0 0.0
721 1712.5 279.5 1024.2 0.0 0.0 0.0 0.0 0.0 0.0
721 1760.8 277.7 592.5 0.0 0.0 0.0 0.0 0.0 0.0
722 1931.0 286.8 1038.1 0.0 0.0 0.0 0.0 0.0 0.0
722 1760.8 278.2 597.7 0.0 0.0 0.0 0.0 0.0 0.0
723 1910.6 288.4 1016.7 0.0 0.0 0.0 0.0 0.0 0.0
723 1760.8 278.4 600.2 0.0 0.0 0.0 0.0 0.0 0.0
724 1905.5 284.0 1018.6 0.0 0.0 0.0 0.0 0.0 0.0
724 1760.8 278.4 597.2 0.0 0.0 0.0 0.0 0.0 0.0
725 1909.6 281.4 1022.3 0.0 0.0 0.0 0.0 0.0 0.0
725 1760.8 278.4 602.4 0.0 0.0 0.0 0.0 0.0 0.0
726 1900.9 276.4 1020.6 0.0 0.0 0.0 0.0 0.0 0.0
726 1760.8 278.4 605.8 0.0 0.0 0.0 0.0 0.0 0.0
727 1919.9 281.8 1036.0 0.0 0.0 0.0 0.0 0.0 0.0
727 1760.8 278.4 606.2 0.0 0.0 0.0 0.0 0.0 0.0
728 1920.6 284.4 1039.0 0.0 0.0 0.0 0.0 0.0 0.0
728 1760.8 278.5 620.4 0.0 0.0 0.0 0.0 0.0 0.0
729 1743.4 234.5 1093.9 0.0 0.0 0.0 0.0 0.0 0.0
729 1760.8 227.7 636.9 0.0 0.0 0.0 0.0 0.0 0.0
730 1947.6 236.7 1097.4 0.0 0.0 0.0 0.0 0.0 0.0
730 1760.8 228.4 640.3 0.0 0.0 0.0 0.0 0.0 0.0
731 1938.4 237.9 1088.2 0.0 0.0 0.0 0.0 0.0 0.0
731 1760.8 228.4 642.4 0.0 0.0 0.0 0.0 0.0 0.0
732 1938.9 236.6 1090.1 0.0 0.0 0.0 0.0 0.0 0.0
732 1760.8 228.5 639.7 0.0 0.0 0.0 0.0 0.0 0.0
733 1937.5 239.3 1085.1 0.0 0.0 0.0 0.0 0.0 0.0
733 1760.8 228.3 641.8 0.0 0.0 0.0 0.0 0.0 0.0
734 1928.5 236.1 1084.5 0.0 0.0 0.0 0.0 0.0 0.0
734 1760.8 228.5 648.1 0.0 0.0 0.0 0.0 0.0 0.0
735 1950.6 238.3 1104.3 0.0 0.0 0.0 0.0 0.0 0.0
735 1760.8 228.6 652.7 0.0 0.0 0.0 0.0 0.0 0.0
736 1954.0 238.7 1110.9 0.0 0.0 0.0 0.0 0.0 0.0
736 1760.8 228.5 661.5 0.0 0.0 0.0 0.0 0.0 0.0
737 1724.7 262.8 1040.4 0.0 0.0 0.0 0.0 0.0 0.0
737 1760.7 260.3 606.2 0.0 0.0 0.0 0.0 0.0 0.0
738 1919.0 267.5 1039.9 0.0 0.0 0.0 0.0 0.0 0.0
738 1760.7 261.2 610.0 0.0 0.0 0.0 0.0 0.0 0.0
739 1913.6 270.5 1035.8 0.0 0.0 0.0 0.0 0.0 0.0
739 1760.7 261.2 612.5 0.0 0.0 0.0 0.0 0.0 0.0
740 1920.1 268.8 1039.6 0.0 0.0 0.0 0.0 0.0 0.0
740 1760.7 261.3 609.7 0.0 0.0 0.0 0.0 0.0 0.0
741 1915.3 270.7 1034.1 0.0 0.0 0.0 0.0 0.0 0.0
741 1760.7 261.3 613.4 0.0 0.0 0.0 0.0 0.0 0.0
742 1906.7 261.7 1036.7 0.0 0.0 0.0 0.0 0.0 0.0
742 1760.7 261.3 616.0 0.0 0.0 0.0 0.0 0.0 0.0
743 1923.8 265.1 1052.2 0.0 0.0 0.0 0.0 0.0 0.0
743 1760.7 261.3 621.6 0.0 0.0 0.0 0.0 0.0 0.0
744 1934.4 268.6 1062.0 0.0 0.0 0.0 0.0 0.0 0.0
744 1760.7 261.3 630.7 0.0 0.0 0.0 0.0 0.0 0.0
745 1703.9 284.7 996.0 0.0 0.0 0.0 0.0 0.0 0.0
745 1760.8 285.5 579.0 0.0 0.0 0.0 0.0 0.0 0.0
746 1898.7 294.1 997.6 0.0 0.0 0.0 0.0 0.0 0.0
746 1760.8 286.1 583.6 0.0 0.0 0.0 0.0 0.0 0.0
747 1890.5 293.1 986.8 0.0 0.0 0.0 0.0 0.0 0.0
747 1760.8 285.9 584.3 0.0 0.0 0.0 0.0 0.0 0.0
748 1898.8 284.9 1002.6 0.0 0.0 0.0 0.0 0.0 0.0
748 1760.8 286.0 586.4 0.0 0.0 0.0 0.0 0.0 0.0
749 1877.5 283.7 984.9 0.0 0.0 0.0 0.0 0.0 0.0
749 1760.8 286.0 590.1 0.0 0.0 0.0 0.0 0.0 0.0
750 1880.9 281.7 992.6 0.0 0.0 0.0 0.0 0.0 0.0
750 1760.8 286.0 593.1 0.0 0.0 0.0 0.0 0.0 0.0
751 1897.9 284.2 1007.4 0.0 0.0 0.0 0.0 0.0 0.0
751 1760.8 286.1 596.4 0.0 0.0 0.0 0.0 0.0 0.0
752 1909.0 285.1 1017.5 0.0 0.0 0.0 0.0 0.0 0.0
752 1760.8 286.0 598.2 0.0 0.0 0.0 0.0 0.0 0.0
753 1704.3 266.3 1026.9 0.0 0.0 0.0 0.0 0.0 0.0
753 1760.8 265.3 601.4 0.0 0.0 0.0 0.0 0.0 0.0
754 1910.5 274.0 1027.9 0.0 0.0 0.0 0.0 0.0 0.0
754 1760.8 266.2 605.8 0.0 0.0 0.0 0.0 0.0 0.0
755 1915.5 276.0 1030.4 0.0 0.0 0.0 0.0 0.0 0.0
755 1760.8 266.2 607.4 0.0 0.0 0.0 0.0 0.0 0.0
756 1916.1 275.0 1035.3 0.0 0.0 0.0 0.0 0.0 0.0
756 1760.8 266.1 606.2 0.0 0.0 0.0 0.0 0.0 0.0
757 1908.5 274.7 1025.8 0.0 0.0 0.0 0.0 0.0 0.0
757 1760.8 266.1 609.2 0.0 0.0 0.0 0.0 0.0 0.0
758 1900.7 267.3 1027.3 0.0 0.0 0.0 0.0 0.0 0.0
758 1760.8 265.9 617.2 0.0 0.0 0.0 0.0 0.0 0.0
759 1920.4 268.0 1050.9 0.0 0.0 0.0 0.0 0.0 0.0
759 1760.8 266.1 624.6 0.0 0.0 0.0 0.0 0.0 0.0
760 1929.1 272.3 1055.3 0.0 0.0 0.0 0.0 0.0 0.0
760 1760.8 266.2 623.5 0.0 0.0 0.0 0.0 0.0 0.0
761 1757.3 235.3 1093.6 0.0 0.0 0.0 0.0 0.0 0.0
761 1760.8 229.1 631.7 0.0 0.0 0.0 0.0 0.0 0.0
762 1945.7 237.7 1093.2 0.0 0.0 0.0 0.0 0.0 0.0
762 1760.8 229.9 635.6 0.0 0.0 0.0 0.0 0.0 0.0
763 1938.0 238.6 1084.3 0.0 0.0 0.0 0.0 0.0 0.0
763 1760.8 229.8 636.7 0.0 0.0 0.0 0.0 0.0 0.0
764 1934.1 237.8 1085.5 0.0 0.0 0.0 0.0 0.0 0.0
764 1760.8 229.9 635.0 0.0 0.0 0.0 0.0 0.0 0.0
765 1944.3 241.2 1088.1 0.0 0.0 0.0 0.0 0.0 0.0
765 1760.8 229.8 637.6 0.0 0.0 0.0 0.0 0.0 0.0
766 1937.6 237.4 1089.1 0.0 0.0 0.0 0.0 0.0 0.0
766 1760.8 229.9 643.4 0.0 0.0 0.0 0.0 0.0 0.0
767 1951.1 239.5 1102.6 0.0 0.0 0.0 0.0 0.0 0.0
767 1760.8 229.9 651.3 0.0 0.0 0.0 0.0 0.0 0.0
768 1961.0 239.6 1113.6 0.0 0.0 0.0 0.0 0.0 0.0
768 1760.8 229.9 652.2 0.0 0.0 0.0 0.0 0.0 0.0
769 1747.9 235.2 1106.2 0.0 0.0 0.0 0.0 0.0 0.0
769 1760.8 228.9 642.4 0.0 0.0 0.0 0.0 0.0 0.0
770 1954.0 237.2 1106.5 0.0 0.0 0.0 0.0 0.0 0.0
770 1760.8 229.6 646.0 0.0 0.0 0.0 0.0 0.0 0.0
771 1958.2 239.0 1110.6 0.0 0.0 0.0 0.0 0.0 0.0
771 1760.8 229.7 647.1 0.0 0.0 0.0 0.0 0.0 0.0
772 1952.1 237.8 1105.1 0.0 0.0 0.0 0.0 0.0 0.0
772 1760.8 229.6 646.2 0.0 0.0 0.0 0.0 0.0 0.0
773 1947.0 241.2 1097.9 0.0 0.0 0.0 0.0 0.0 0.0
773 1760.8 229.6 649.7 0.0 0.0 0.0 0.0 0.0 0.0
774 1944.1 237.5 1099.5 0.0 0.0 0.0 0.0 0.0 0.0
774 1760.8 229.6 653.4 0.0 0.0 0.0 0.0 0.0 0.0
775 1960.5 239.6 1117.4 0.0 0.0 0.0 0.0 0.0 0.0
775 1760.8 229.7 658.3 0.0 0.0 0.0 0.0 0.0 0.0
776 1966.4 239.8 1125.8 0.0 0.0 0.0 0.0 0.0 0.0
776 1760.8 229.6 664.7 0.0 0.0 0.0 0.0 0.0 0.0
777 1749.8 237.4 1101.3 0.0 0.0 0.0 0.0 0.0 0.0
777 1760.7 231.1 638.2 0.0 0.0 0.0 0.0 0.0 0.0
778 1956.4 239.9 1105.4 0.0 0.0 0.0 0.0 0.0 0.0
778 1760.7 232.0 641.0 0.0 0.0 0.0 0.0 0.0 0.0
779 1946.4 241.0 1095.9 0.0 0.0 0.0 0.0 0.0 0.0
779 1760.7 232.0 642.8 0.0 0.0 0.0 0.0 0.0 0.0
780 1952.4 240.4 1104.9 0.0 0.0 0.0 0.0 0.0 0.0
780 1760.7 232.0 642.5 0.0 0.0 0.0 0.0 0.0 0.0
781 1944.9 243.8 1092.3 0.0 0.0 0.0 0.0 0.0 0.0
781 1760.7 232.1 643.3 0.0 0.0 0.0 0.0 0.0 0.0
782 1945.1 240.2 1097.0 0.0 0.0 0.0 0.0 0.0 0.0
782 1760.7 232.0 649.0 0.0 0.0 0.0 0.0 0.0 0.0
783 1961.8 242.1 1115.7 0.0 0.0 0.0 0.0 0.0 0.0
783 1760.7 232.0 655.7 0.0 0.0 0.0 0.0 0.0 0.0
784 1964.2 242.1 1122.1 0.0 0.0 0.0 0.0 0.0 0.0
784 1760.7 232.0 663.4 0.0 0.0 0.0 0.0 0.0 0.0
785 1719.4 261.1 1037.8 0.0 0.0 0.0 0.0 0.0 0.0
785 1760.8 255.8 607.7 0.0 0.0 0.0 0.0 0.0 0.0
786 1920.8 264.7 1041.4 0.0 0.0 0.0 0.0 0.0 0.0
786 1760.8 256.5 611.5 0.0 0.0 0.0 0.0 0.0 0.0
787 1907.1 265.0 1031.9 0.0 0.0 0.0 0.0 0.0 0.0
787 1760.8 256.5 612.2 0.0 0.0 0.0 0.0 0.0 0.0
788 1910.5 263.6 1034.1 0.0 0.0 0.0 0.0 0.0 0.0
788 1760.8 256.6 613.0 0.0 0.0 0.0 0.0 0.0 0.0
789 1907.7 263.3 1032.5 0.0 0.0 0.0 0.0 0.0 0.0
789 1760.8 256.6 617.9 0.0 0.0 0.0 0.0 0.0 0.0
790 1909.5 260.4 1044.8 0.0 0.0 0.0 0.0 0.0 0.0
790 1760.8 256.6 619.2 0.0 0.0 0.0 0.0 0.0 0.0
791 1921.0 263.6 1049.4 0.0 0.0 0.0 0.0 0.0 0.0
791 1760.8 256.6 618.9 0.0 0.0 0.0 0.0 0.0 0.0
792 1930.3 262.8 1064.4 0.0 0.0 0.0 0.0 0.0 0.0
792 1760.8 256.6 633.7 0.0 0.0 0.0 0.0 0.0 0.0
793 1731.5 264.9 1052.8 0.0 0.0 0.0 0.0 0.0 0.0
793 1760.7 262.9 607.1 0.0 0.0 0.0 0.0 0.0 0.0
794 1933.6 271.5 1053.3 0.0 0.0 0.0 0.0 0.0 0.0
794 1760.7 263.7 609.0 0.0 0.0 0.0 0.0 0.0 0.0
795 1928.7 272.5 1048.7 0.0 0.0 0.0 0.0 0.0 0.0
795 1760.7 263.6 613.5 0.0 0.0 0.0 0.0 0.0 0.0
796 1942.0 270.1 1063.6 0.0 0.0 0.0 0.0 0.0 0.0
796 1760.7 263.7 610.5 0.0 0.0 0.0 0.0 0.0 0.0
797 1935.5 274.4 1053.7 0.0 0.0 0.0 0.0 0.0 0.0
797 1760.7 263.7 614.1 0.0 0.0 0.0 0.0 0.0 0.0
798 1913.9 263.3 1050.6 0.0 0.0 0.0 0.0 0.0 0.0
798 1760.7 263.7 618.6 0.0 0.0 0.0 0.0 0.0 0.0
799 1947.0 267.5 1074.7 0.0 0.0 0.0 0.0 0.0 0.0
799 1760.7 263.7 625.0 0.0 0.0 0.0 0.0 0.0 0.0
800 1939.3 270.9 1071.6 0.0 0.0 0.0 0.0 0.0 0.0
800 1760.7 263.8 627.3 0.0 0.0 0.0 0.0 0.0 0.0
801 1726.5 262.4 1041.5 0.0 0.0 0.0 0.0 0.0 0.0
801 1760.7 256.5 607.0 0.0 0.0 0.0 0.0 0.0 0.0
802 1915.5 263.6 1037.5 0.0 0.0 0.0 0.0 0.0 0.0
802 1760.7 257.2 610.8 0.0 0.0 0.0 0.0 0.0 0.0
803 1920.2 263.4 1043.9 0.0 0.0 0.0 0.0 0.0 0.0
803 1760.7 257.2 611.0 0.0 0.0 0.0 0.0 0.0 0.0
804 1915.5 262.3 1040.2 0.0 0.0 0.0 0.0 0.0 0.0
804 1760.7 257.2 612.9 0.0 0.0 0.0 0.0 0.0 0.0
805 1910.4 262.3 1036.3 0.0 0.0 0.0 0.0 0.0 0.0
805 1760.7 257.3 617.2 0.0 0.0 0.0 0.0 0.0 0.0
806 1911.8 259.4 1041.9 0.0 0.0 0.0 0.0 0.0 0.0
806 1760.7 257.1 616.0 0.0 0.0 0.0 0.0 0.0 0.0
807 1928.2 262.9 1057.6 0.0 0.0 0.0 0.0 0.0 0.0
807 1760.7 257.3 621.6 0.0 0.0 0.0 0.0 0.0 0.0
808 1930.8 261.8 1063.1 0.0 0.0 0.0 0.0 0.0 0.0
808 1760.7 257.3 632.9 0.0 0.0 0.0 0.0 0.0 0.0
809 1725.0 263.3 1038.2 0.0 0.0 0.0 0.0 0.0 0.0
809 1760.8 262.3 602.0 0.0 0.0 0.0 0.0 0.0 0.0
810 1914.8 268.7 1036.0 0.0 0.0 0.0 0.0 0.0 0.0
810 1760.8 263.2 606.5 0.0 0.0 0.0 0.0 0.0 0.0
811 1912.6 272.0 1033.5 0.0 0.0 0.0 0.0 0.0 0.0
811 1760.8 263.2 607.6 0.0 0.0 0.0 0.0 0.0 0.0
812 1925.7 268.9 1047.2 0.0 0.0 0.0 0.0 0.0 0.0
812 1760.8 263.3 606.7 0.0 0.0 0.0 0.0 0.0 0.0
813 1922.1 272.0 1040.3 0.0 0.0 0.0 0.0 0.0 0.0
813 1760.8 263.2 606.1 0.0 0.0 0.0 0.0 0.0 0.0
814 1906.1 262.0 1038.4 0.0 0.0 0.0 0.0 0.0 0.0
814 1760.8 263.2 612.1 0.0 0.0 0.0 0.0 0.0 0.0
815 1925.8 266.1 1052.7 0.0 0.0 0.0 0.0 0.0 0.0
815 1760.8 263.2 617.4 0.0 0.0 0.0 0.0 0.0 0.0
816 1930.9 269.1 1059.3 0.0 0.0 0.0 0.0 0.0 0.0
816 1760.8 263.2 628.3 0.0 0.0 0.0 0.0 0.0 0.0
817 1744.0 232.1 1092.2 0.0 0.0 0.0 0.0 0.0 0.0
817 1760.7 225.1 639.1 0.0 0.0 0.0 0.0 0.0 0.0
818 1940.8 234.9 1092.2 0.0 0.0 0.0 0.0 0.0 0.0
818 1760.7 226.2 642.2 0.0 0.0 0.0 0.0 0.0 0.0
819 1936.1 236.0 1088.9 0.0 0.0 0.0 0.0 0.0 0.0
819 1760.7 226.1 644.4 0.0 0.0 0.0 0.0 0.0 0.0
820 1942.0 235.0 1095.5 0.0 0.0 0.0 0.0 0.0 0.0
820 1760.7 226.1 643.9 0.0 0.0 0.0 0.0 0.0 0.0
821 1939.4 237.8 1090.1 0.0 0.0 0.0 0.0 0.0 0.0
821 1760.7 226.2 643.1 0.0 0.0 0.0 0.0 0.0 0.0
822 1934.7 234.6 1091.6 0.0 0.0 0.0 0.0 0.0 0.0
822 1760.7 226.2 650.9 0.0 0.0 0.0 0.0 0.0 0.0
823 1954.2 236.8 1111.0 0.0 0.0 0.0 0.0 0.0 0.0
823 1760.7 226.1 656.3 0.0 0.0 0.0 0.0 0.0 0.0
824 1957.1 236.9 1117.1 0.0 0.0 0.0 0.0 0.0 0.0
824 1760.7 226.2 661.9 0.0 0.0 0.0 0.0 0.0 0.0
825 1739.4 233.6 1090.4 0.0 0.0 0.0 0.0 0.0 0.0
825 1760.7 226.6 640.6 0.0 0.0 0.0 0.0 0.0 0.0
826 1936.4 235.5 1090.9 0.0 0.0 0.0 0.0 0.0 0.0
826 1760.7 227.5 645.5 0.0 0.0 0.0 0.0 0.0 0.0
827 1932.6 236.8 1084.2 0.0 0.0 0.0 0.0 0.0 0.0
827 1760.7 227.4 646.0 0.0 0.0 0.0 0.0 0.0 0.0
828 1936.0 236.0 1089.5 0.0 0.0 0.0 0.0 0.0 0.0
828 1760.7 227.5 646.8 0.0 0.0 0.0 0.0 0.0 0.0
829 1935.9 239.0 1087.3 0.0 0.0 0.0 0.0 0.0 0.0
829 1760.7 227.5 648.0 0.0 0.0 0.0 0.0 0.0 0.0
830 1924.8 235.3 1083.7 0.0 0.0 0.0 0.0 0.0 0.0
830 1760.7 227.5 654.4 0.0 0.0 0.0 0.0 0.0 0.0
831 1946.5 237.6 1104.4 0.0 0.0 0.0 0.0 0.0 0.0
831 1760.7 227.5 657.5 0.0 0.0 0.0 0.0 0.0 0.0
832 1947.7 237.8 1107.9 0.0 0.0 0.0 0.0 0.0 0.0
832 1760.7 227.5 668.4 0.0 0.0 0.0 0.0 0.0 0.0
833 1728.9 262.0 1040.5 0.0 0.0 0.0 0.0 0.0 0.0
833 1760.7 255.7 607.4 0.0 0.0 0.0 0.0 0.0 0.0
834 1926.7 265.2 1047.0 0.0 0.0 0.0 0.0 0.0 0.0
834 1760.7 256.6 611.1 0.0 0.0 0.0 0.0 0.0 0.0
835 1923.6 266.0 1044.8 0.0 0.0 0.0 0.0 0.0 0.0
835 1760.7 256.4 612.2 0.0 0.0 0.0 0.0 0.0 0.0
836 1915.3 264.7 1037.4 0.0 0.0 0.0 0.0 0.0 0.0
836 1760.7 256.6 613.5 0.0 0.0 0.0 0.0 0.0 0.0
837 1912.0 263.4 1036.2 0.0 0.0 0.0 0.0 0.0 0.0
837 1760.7 256.5 617.2 0.0 0.0 0.0 0.0 0.0 0.0
838 1900.9 260.4 1032.7 0.0 0.0 0.0 0.0 0.0 0.0
838 1760.7 256.5 618.4 0.0 0.0 0.0 0.0 0.0 0.0
839 1928.2 263.0 1054.4 0.0 0.0 0.0 0.0 0.0 0.0
839 1760.7 256.5 623.0 0.0 0.0 0.0 0.0 0.0 0.0
840 1935.5 262.7 1065.7 0.0 0.0 0.0 0.0 0.0 0.0
840 1760.7 256.6 627.9 0.0 0.0 0.0 0.0 0.0 0.0
841 1708.5 282.3 1009.2 0.0 0.0 0.0 0.0 0.0 0.0
841 1760.7 281.0 588.1 0.0 0.0 0.0 0.0 0.0 0.0
842 1909.6 289.9 1009.6 0.0 0.0 0.0 0.0 0.0 0.0
842 1760.7 281.7 592.4 0.0 0.0 0.0 0.0 0.0 0.0
843 1905.5 289.1 1009.4 0.0 0.0 0.0 0.0 0.0 0.0
843 1760.7 281.6 594.9 0.0 0.0 0.0 0.0 0.0 0.0
844 1896.0 281.0 1005.0 0.0 0.0 0.0 0.0 0.0 0.0
844 1760.7 281.6 591.5 0.0 0.0 0.0 0.0 0.0 0.0
845 1887.2 278.9 1001.2 0.0 0.0 0.0 0.0 0.0 0.0
845 1760.7 281.6 598.6 0.0 0.0 0.0 0.0 0.0 0.0
846 1890.3 277.1 1005.9 0.0 0.0 0.0 0.0 0.0 0.0
846 1760.7 281.6 601.0 0.0 0.0 0.0 0.0 0.0 0.0
847 1912.3 280.8 1028.3 0.0 0.0 0.0 0.0 0.0 0.0
847 1760.7 281.6 608.2 0.0 0.0 0.0 0.0 0.0 0.0
848 1915.1 281.8 1035.5 0.0 0.0 0.0 0.0 0.0 0.0
848 1760.7 281.7 610.6 0.0 0.0 0.0 0.0 0.0 0.0
849 1750.4 235.4 1095.3 0.0 0.0 0.0 0.0 0.0 0.0
849 1760.7 229.9 637.5 0.0 0.0 0.0 0.0 0.0 0.0
850 1942.3 237.6 1097.0 0.0 0.0 0.0 0.0 0.0 0.0
850 1760.7 230.6 640.6 0.0 0.0 0.0 0.0 0.0 0.0
851 1942.5 239.1 1090.6 0.0 0.0 0.0 0.0 0.0 0.0
851 1760.7 230.5 642.0 0.0 0.0 0.0 0.0 0.0 0.0
852 1942.2 238.1 1092.6 0.0 0.0 0.0 0.0 0.0 0.0
852 1760.7 230.5 642.2 0.0 0.0 0.0 0.0 0.0 0.0
853 1933.7 241.2 1082.3 0.0 0.0 0.0 0.0 0.0 0.0
853 1760.7 230.6 643.2 0.0 0.0 0.0 0.0 0.0 0.0
854 1928.5 237.4 1083.2 0.0 0.0 0.0 0.0 0.0 0.0
854 1760.7 230.6 648.1 0.0 0.0 0.0 0.0 0.0 0.0
855 1957.0 239.4 1112.8 0.0 0.0 0.0 0.0 0.0 0.0
855 1760.7 230.5 654.8 0.0 0.0 0.0 0.0 0.0 0.0
856 1953.9 239.7 1109.4 0.0 0.0 0.0 0.0 0.0 0.0
856 1760.7 230.6 658.8 0.0 0.0 0.0 0.0 0.0 0.0
857 1723.1 269.6 1035.4 0.0 0.0 0.0 0.0 0.0 0.0
857 1760.7 267.6 601.1 0.0 0.0 0.0 0.0 0.0 0.0
858 1928.6 275.3 1044.1 0.0 0.0 0.0 0.0 0.0 0.0
858 1760.7 268.3 604.0 0.0 0.0 0.0 0.0 0.0 0.0
859 1912.7 277.0 1026.6 0.0 0.0 0.0 0.0 0.0 0.0
859 1760.7 268.2 607.0 0.0 0.0 0.0 0.0 0.0 0.0
860 1917.6 276.9 1029.5 0.0 0.0 0.0 0.0 0.0 0.0
860 1760.7 268.4 603.2 0.0 0.0 0.0 0.0 0.0 0.0
861 1909.8 278.5 1024.0 0.0 0.0 0.0 0.0 0.0 0.0
861 1760.7 268.3 609.9 0.0 0.0 0.0 0.0 0.0 0.0
862 1906.9 268.4 1030.1 0.0 0.0 0.0 0.0 0.0 0.0
862 1760.7 268.2 611.8 0.0 0.0 0.0 0.0 0.0 0.0
863 1926.0 270.2 1053.8 0.0 0.0 0.0 0.0 0.0 0.0
863 1760.7 268.3 614.4 0.0 0.0 0.0 0.0 0.0 0.0
864 1925.2 274.8 1050.1 0.0 0.0 0.0 0.0 0.0 0.0
864 1760.7 268.3 628.4 0.0 0.0 0.0 0.0 0.0 0.0
865 1754.0 235.3 1103.5 0.0 0.0 0.0 0.0 0.0 0.0
865 1760.7 227.6 639.8 0.0 0.0 0.0 0.0 0.0 0.0
866 1956.0 237.7 1107.7 0.0 0.0 0.0 0.0 0.0 0.0
866 1760.7 228.3 641.9 0.0 0.0 0.0 0.0 0.0 0.0
867 1946.8 239.0 1096.4 0.0 0.0 0.0 0.0 0.0 0.0
867 1760.7 228.4 644.6 0.0 0.0 0.0 0.0 0.0 0.0
868 1949.8 238.2 1101.3 0.0 0.0 0.0 0.0 0.0 0.0
868 1760.7 228.4 643.7 0.0 0.0 0.0 0.0 0.0 0.0
869 1950.3 240.9 1099.1 0.0 0.0 0.0 0.0 0.0 0.0
869 1760.7 228.4 646.7 0.0 0.0 0.0 0.0 0.0 0.0
870 1940.9 237.8 1094.0 0.0 0.0 0.0 0.0 0.0 0.0
870 1760.7 228.4 650.4 0.0 0.0 0.0 0.0 0.0 0.0
871 1961.0 239.3 1116.6 0.0 0.0 0.0 0.0 0.0 0.0
871 1760.7 228.3 657.9 0.0 0.0 0.0 0.0 0.0 0.0
872 1971.2 239.6 1128.3 0.0 0.0 0.0 0.0 0.0 0.0
872 1760.7 228.4 662.5 0.0 0.0 0.0 0.0 0.0 0.0
873 1744.7 234.7 1084.4 0.0 0.0 0.0 0.0 0.0 0.0
873 1760.8 228.2 632.1 0.0 0.0 0.0 0.0 0.0 0.0
874 1940.2 237.2 1086.3 0.0 0.0 0.0 0.0 0.0 0.0
874 1760.8 229.0 635.0 0.0 0.0 0.0 0.0 0.0 0.0
875 1937.8 238.7 1081.8 0.0 0.0 0.0 0.0 0.0 0.0
875 1760.8 228.9 635.6 0.0 0.0 0.0 0.0 0.0 0.0
876 1938.2 237.7 1085.9 0.0 0.0 0.0 0.0 0.0 0.0
876 1760.8 229.0 637.5 0.0 0.0 0.0 0.0 0.0 0.0
877 1935.4 240.7 1078.2 0.0 0.0 0.0 0.0 0.0 0.0
877 1760.8 229.0 635.3 0.0 0.0 0.0 0.0 0.0 0.0
878 1936.8 237.3 1086.1 0.0 0.0 0.0 0.0 0.0 0.0
878 1760.8 229.0 643.8 0.0 0.0 0.0 0.0 0.0 0.0
879 1947.6 238.8 1098.8 0.0 0.0 0.0 0.0 0.0 0.0
879 1760.8 228.9 646.5 0.0 0.0 0.0 0.0 0.0 0.0
880 1951.0 239.2 1106.3 0.0 0.0 0.0 0.0 0.0 0.0
880 1760.8 229.1 661.5 0.0 0.0 0.0 0.0 0.0 0.0
881 1609.2 451.3 750.6 0.0 0.0 0.0 0.0 0.0 0.0
881 1760.7 442.9 437.5 0.0 0.0 0.0 0.0 0.0 0.0
882 1780.3 425.9 752.8 0.0 0.0 0.0 0.0 0.0 0.0
882 1760.7 443.4 441.5 0.0 0.0 0.0 0.0 0.0 0.0
883 1755.6 412.5 745.1 0.0 0.0 0.0 0.0 0.0 0.0
883 1760.7 443.4 443.7 0.0 0.0 0.0 0.0 0.0 0.0
884 1791.9 437.2 751.9 0.0 0.0 0.0 0.0 0.0 0.0
884 1760.7 443.5 438.4 0.0 0.0 0.0 0.0 0.0 0.0
885 1791.7 448.6 744.2 0.0 0.0 0.0 0.0 0.0 0.0
885 1760.7 443.5 443.6 0.0 0.0 0.0 0.0 0.0 0.0
886 1783.6 437.2 747.3 0.0 0.0 0.0 0.0 0.0 0.0
886 1760.7 443.5 445.2 0.0 0.0 0.0 0.0 0.0 0.0
887 1768.2 413.3 761.0 0.0 0.0 0.0 0.0 0.0 0.0
887 1760.7 443.5 451.8 0.0 0.0 0.0 0.0 0.0 0.0
888 1776.4 410.9 773.0 0.0 0.0 0.0 0.0 0.0 0.0
888 1760.7 443.5 453.1 0.0 0.0 0.0 0.0 0.0 0.0
889 1727.2 259.9 1040.9 0.0 0.0 0.0 0.0 0.0 0.0
889 1760.7 257.9 604.1 0.0 0.0 0.0 0.0 0.0 0.0
890 1921.5 265.7 1042.4 0.0 0.0 0.0 0.0 0.0 0.0
890 1760.7 258.5 609.3 0.0 0.0 0.0 0.0 0.0 0.0
891 1915.6 267.2 1034.7 0.0 0.0 0.0 0.0 0.0 0.0
891 1760.7 258.5 609.0 0.0 0.0 0.0 0.0 0.0 0.0
892 1920.2 265.6 1039.4 0.0 0.0 0.0 0.0 0.0 0.0
892 1760.7 258.6 608.7 0.0 0.0 0.0 0.0 0.0 0.0
893 1940.6 265.3 1062.1 0.0 0.0 0.0 0.0 0.0 0.0
893 1760.7 258.6 612.8 0.0 0.0 0.0 0.0 0.0 0.0
894 1909.7 260.5 1036.5 0.0 0.0 0.0 0.0 0.0 0.0
894 1760.7 258.6 616.4 0.0 0.0 0.0 0.0 0.0 0.0
895 1924.5 261.8 1051.3 0.0 0.0 0.0 0.0 0.0 0.0
895 1760.7 258.5 618.9 0.0 0.0 0.0 0.0 0.0 0.0
896 1932.7 263.5 1062.5 0.0 0.0 0.0 0.0 0.0 0.0
896 1760.7 258.5 631.0 0.0 0.0 0.0 0.0 0.0 0.0
897 1718.6 261.5 1037.6 0.0 0.0 0.0 0.0 0.0 0.0
897 1760.7 256.3 608.2 0.0 0.0 0.0 0.0 0.0 0.0
898 1912.3 264.9 1036.5 0.0 0.0 0.0 0.0 0.0 0.0
898 1760.7 257.1 613.4 0.0 0.0 0.0 0.0 0.0 0.0
899 1910.1 264.1 1035.1 0.0 0.0 0.0 0.0 0.0 0.0
899 1760.7 257.0 613.9 0.0 0.0 0.0 0.0 0.0 0.0
900 1911.8 263.1 1036.7 0.0 0.0 0.0 0.0 0.0 0.0
900 1760.7 257.0 612.2 0.0 0.0 0.0 0.0 0.0 0.0
901 1904.1 263.1 1032.0 0.0 0.0 0.0 0.0 0.0 0.0
901 1760.7 257.0 621.0 0.0 0.0 0.0 0.0 0.0 0.0
902 1900.3 259.3 1034.9 0.0 0.0 0.0 0.0 0.0 0.0
902 1760.7 257.0 623.4 0.0 0.0 0.0 0.0 0.0 0.0
903 1925.7 263.1 1056.6 0.0 0.0 0.0 0.0 0.0 0.0
903 1760.7 257.1 624.4 0.0 0.0 0.0 0.0 0.0 0.0
904 1937.2 263.1 1070.2 0.0 0.0 0.0 0.0 0.0 0.0
904 1760.7 257.1 632.8 0.0 0.0 0.0 0.0 0.0 0.0
905 1621.6 437.4 759.6 0.0 0.0 0.0 0.0 0.0 0.0
905 1760.7 430.5 441.1 0.0 0.0 0.0 0.0 0.0 0.0
906 1792.6 422.7 767.2 0.0 0.0 0.0 0.0 0.0 0.0
906 1760.7 431.0 443.0 0.0 0.0 0.0 0.0 0.0 0.0
907 1748.6 388.1 754.1 0.0 0.0 0.0 0.0 0.0 0.0
907 1760.7 431.0 448.0 0.0 0.0 0.0 0.0 0.0 0.0
908 1766.8 400.7 756.7 0.0 0.0 0.0 0.0 0.0 0.0
908 1760.7 431.0 445.8 0.0 0.0 0.0 0.0 0.0 0.0
909 1806.0 429.6 767.3 0.0 0.0 0.0 0.0 0.0 0.0
909 1760.7 431.0 445.6 0.0 0.0 0.0 0.0 0.0 0.0
910 1794.4 429.3 755.8 0.0 0.0 0.0 0.0 0.0 0.0
910 1760.7 431.0 452.3 0.0 0.0 0.0 0.0 0.0 0.0
911 1786.9 409.5 771.7 0.0 0.0 0.0 0.0 0.0 0.0
911 1760.7 431.1 454.6 0.0 0.0 0.0 0.0 0.0 0.0
912 1787.4 403.7 781.0 0.0 0.0 0.0 0.0 0.0 0.0
912 1760.7 431.1 460.9 0.0 0.0 0.0 0.0 0.0 0.0
913 1724.7 261.6 1053.6 0.0 0.0 0.0 0.0 0.0 0.0
913 1760.8 254.8 616.5 0.0 0.0 0.0 0.0 0.0 0.0
914 1921.2 263.6 1050.4 0.0 0.0 0.0 0.0 0.0 0.0
914 1760.8 255.8 621.1 0.0 0.0 0.0 0.0 0.0 0.0
915 1931.6 264.0 1062.0 0.0 0.0 0.0 0.0 0.0 0.0
915 1760.8 255.7 624.1 0.0 0.0 0.0 0.0 0.0 0.0
916 1919.1 262.2 1051.2 0.0 0.0 0.0 0.0 0.0 0.0
916 1760.8 255.8 620.8 0.0 0.0 0.0 0.0 0.0 0.0
917 1913.3 261.7 1046.7 0.0 0.0 0.0 0.0 0.0 0.0
917 1760.8 255.6 627.1 0.0 0.0 0.0 0.0 0.0 0.0
918 1910.5 258.8 1048.5 0.0 0.0 0.0 0.0 0.0 0.0
918 1760.8 255.6 627.2 0.0 0.0 0.0 0.0 0.0 0.0
919 1935.8 261.4 1070.8 0.0 0.0 0.0 0.0 0.0 0.0
919 1760.8 255.8 629.0 0.0 0.0 0.0 0.0 0.0 0.0
920 1941.0 261.5 1081.1 0.0 0.0 0.0 0.0 0.0 0.0
920 1760.8 255.8 640.5 0.0 0.0 0.0 0.0 0.0 0.0
921 1750.6 232.8 1093.8 0.0 0.0 0.0 0.0 0.0 0.0
921 1760.7 226.2 635.5 0.0 0.0 0.0 0.0 0.0 0.0
922 1949.5 235.5 1098.0 0.0 0.0 0.0 0.0 0.0 0.0
922 1760.7 227.0 638.8 0.0 0.0 0.0 0.0 0.0 0.0
923 1935.0 236.8 1084.9 0.0 0.0 0.0 0.0 0.0 0.0
923 1760.7 227.1 641.2 0.0 0.0 0.0 0.0 0.0 0.0
924 1933.0 235.6 1086.6 0.0 0.0 0.0 0.0 0.0 0.0
924 1760.7 227.1 640.3 0.0 0.0 0.0 0.0 0.0 0.0
925 1950.7 238.8 1096.9 0.0 0.0 0.0 0.0 0.0 0.0
925 1760.7 227.2 640.3 0.0 0.0 0.0 0.0 0.0 0.0
926 1941.3 235.5 1094.4 0.0 0.0 0.0 0.0 0.0 0.0
926 1760.7 227.1 646.1 0.0 0.0 0.0 0.0 0.0 0.0
927 1960.3 237.5 1111.2 0.0 0.0 0.0 0.0 0.0 0.0
927 1760.7 227.3 650.5 0.0 0.0 0.0 0.0 0.0 0.0
928 1961.8 237.6 1117.2 0.0 0.0 0.0 0.0 0.0 0.0
928 1760.7 227.3 659.3 0.0 0.0 0.0 0.0 0.0 0.0
929 1754.0 235.9 1105.8 0.0 0.0 0.0 0.0 0.0 0.0
929 1760.7 230.0 640.4 0.0 0.0 0.0 0.0 0.0 0.0
930 1950.4 238.2 1103.7 0.0 0.0 0.0 0.0 0.0 0.0
930 1760.7 230.9 643.7 0.0 0.0 0.0 0.0 0.0 0.0
931 1945.6 239.7 1100.9 0.0 0.0 0.0 0.0 0.0 0.0
931 1760.7 230.9 645.7 0.0 0.0 0.0 0.0 0.0 0.0
932 1954.3 238.7 1108.7 0.0 0.0 0.0 0.0 0.0 0.0
932 1760.7 230.9 643.8 0.0 0.0 0.0 0.0 0.0 0.0
933 1959.6 242.2 1109.4 0.0 0.0 0.0 0.0 0.0 0.0
933 1760.7 230.9 646.3 0.0 0.0 0.0 0.0 0.0 0.0
934 1939.8 238.6 1095.5 0.0 0.0 0.0 0.0 0.0 0.0
934 1760.7 230.8 649.3 0.0 0.0 0.0 0.0 0.0 0.0
935 1957.8 240.1 1113.2 0.0 0.0 0.0 0.0 0.0 0.0
935 1760.7 231.0 656.2 0.0 0.0 0.0 0.0 0.0 0.0
936 1963.1 240.3 1123.6 0.0 0.0 0.0 0.0 0.0 0.0
936 1760.7 231.0 667.2 0.0 0.0 0.0 0.0 0.0 0.0
937 1750.2 235.6 1107.5 0.0 0.0 0.0 0.0 0.0 0.0
937 1760.8 229.1 642.9 0.0 0.0 0.0 0.0 0.0 0.0
938 1953.2 238.3 1107.6 0.0 0.0 0.0 0.0 0.0 0.0
938 1760.8 230.0 646.2 0.0 0.0 0.0 0.0 0.0 0.0
939 1944.5 239.4 1098.0 0.0 0.0 0.0 0.0 0.0 0.0
939 1760.8 229.9 647.7 0.0 0.0 0.0 0.0 0.0 0.0
940 1941.1 238.2 1101.4 0.0 0.0 0.0 0.0 0.0 0.0
940 1760.8 229.8 646.7 0.0 0.0 0.0 0.0 0.0 0.0
941 1946.0 241.1 1100.2 0.0 0.0 0.0 0.0 0.0 0.0
941 1760.8 229.8 648.7 0.0 0.0 0.0 0.0 0.0 0.0
942 1944.7 237.9 1105.1 0.0 0.0 0.0 0.0 0.0 0.0
942 1760.8 229.8 653.6 0.0 0.0 0.0 0.0 0.0 0.0
943 1963.8 239.4 1120.6 0.0 0.0 0.0 0.0 0.0 0.0
943 1760.8 229.8 659.8 0.0 0.0 0.0 0.0 0.0 0.0
944 1967.1 239.1 1129.5 0.0 0.0 0.0 0.0 0.0 0.0
944 1760.8 229.9 666.2 0.0 0.0 0.0 0.0 0.0 0.0
945 1727.5 259.7 1050.3 0.0 0.0 0.0 0.0 0.0 0.0
945 1760.7 253.2 613.3 0.0 0.0 0.0 0.0 0.0 0.0
946 1923.3 262.1 1051.2 0.0 0.0 0.0 0.0 0.0 0.0
946 1760.7 253.6 617.0 0.0 0.0 0.0 0.0 0.0 0.0
947 1927.7 261.8 1056.3 0.0 0.0 0.0 0.0 0.0 0.0
947 1760.7 253.7 619.3 0.0 0.0 0.0 0.0 0.0 0.0
948 1925.7 260.0 1054.0 0.0 0.0 0.0 0.0 0.0 0.0
948 1760.7 253.6 618.8 0.0 0.0 0.0 0.0 0.0 0.0
949 1933.5 260.7 1064.3 0.0 0.0 0.0 0.0 0.0 0.0
949 1760.7 253.7 623.9 0.0 0.0 0.0 0.0 0.0 0.0
950 1916.2 257.8 1048.0 0.0 0.0 0.0 0.0 0.0 0.0
950 1760.7 253.6 624.5 0.0 0.0 0.0 0.0 0.0 0.0
951 1938.9 260.7 1072.2 0.0 0.0 0.0 0.0 0.0 0.0
951 1760.7 253.7 630.4 0.0 0.0 0.0 0.0 0.0 0.0
952 1940.0 259.8 1075.3 0.0 0.0 0.0 0.0 0.0 0.0
952 1760.7 253.6 633.2 0.0 0.0 0.0 0.0 0.0 0.0
953 1709.6 267.5 1016.8 0.0 0.0 0.0 0.0 0.0 0.0
953 1760.7 267.7 592.0 0.0 0.0 0.0 0.0 0.0 0.0
954 1906.1 273.7 1017.3 0.0 0.0 0.0 0.0 0.0 0.0
954 1760.7 268.4 596.3 0.0 0.0 0.0 0.0 0.0 0.0
955 1904.5 276.5 1013.4 0.0 0.0 0.0 0.0 0.0 0.0
955 1760.7 268.3 598.8 0.0 0.0 0.0 0.0 0.0 0.0
956 1912.9 275.5 1021.0 0.0 0.0 0.0 0.0 0.0 0.0
956 1760.7 268.4 594.9 0.0 0.0 0.0 0.0 0.0 0.0
957 1929.3 276.0 1040.1 0.0 0.0 0.0 0.0 0.0 0.0
957 1760.7 268.4 603.1 0.0 0.0 0.0 0.0 0.0 0.0
958 1890.7 267.1 1012.1 0.0 0.0 0.0 0.0 0.0 0.0
958 1760.7 268.3 604.1 0.0 0.0 0.0 0.0 0.0 0.0
959 1905.7 268.2 1027.4 0.0 0.0 0.0 0.0 0.0 0.0
959 1760.7 268.4 607.6 0.0 0.0 0.0 0.0 0.0 0.0
960 1916.6 273.0 1037.1 0.0 0.0 0.0 0.0 0.0 0.0
960 1760.7 268.4 618.9 0.0 0.0 0.0 0.0 0.0 0.0
961 1747.2 234.5 1092.1 0.0 0.0 0.0 0.0 0.0 0.0
961 1760.8 227.4 637.5 0.0 0.0 0.0 0.0 0.0 0.0
962 1936.3 237.1 1091.5 0.0 0.0 0.0 0.0 0.0 0.0
962 1760.8 228.6 641.2 0.0 0.0 0.0 0.0 0.0 0.0
963 1936.3 238.6 1085.4 0.0 0.0 0.0 0.0 0.0 0.0
963 1760.8 228.4 643.3 0.0 0.0 0.0 0.0 0.0 0.0
964 1938.1 237.6 1089.3 0.0 0.0 0.0 0.0 0.0 0.0
964 1760.8 228.5 643.5 0.0 0.0 0.0 0.0 0.0 0.0
965 1957.0 241.1 1100.4 0.0 0.0 0.0 0.0 0.0 0.0
965 1760.8 228.5 637.6 0.0 0.0 0.0 0.0 0.0 0.0
966 1928.0 237.6 1083.8 0.0 0.0 0.0 0.0 0.0 0.0
966 1760.8 228.4 649.7 0.0 0.0 0.0 0.0 0.0 0.0
967 1954.9 239.1 1107.8 0.0 0.0 0.0 0.0 0.0 0.0
967 1760.8 228.5 652.4 0.0 0.0 0.0 0.0 0.0 0.0
968 1952.4 239.2 1109.9 0.0 0.0 0.0 0.0 0.0 0.0
968 1760.8 228.6 666.5 0.0 0.0 0.0 0.0 0.0 0.0
969 1753.2 231.5 1088.0 0.0 0.0 0.0 0.0 0.0 0.0
969 1760.8 225.9 634.4 0.0 0.0 0.0 0.0 0.0 0.0
970 1935.6 233.7 1088.5 0.0 0.0 0.0 0.0 0.0 0.0
970 1760.8 226.8 637.8 0.0 0.0 0.0 0.0 0.0 0.0
971 1939.1 235.4 1087.2 0.0 0.0 0.0 0.0 0.0 0.0
971 1760.8 226.8 640.2 0.0 0.0 0.0 0.0 0.0 0.0
972 1946.1 234.5 1094.6 0.0 0.0 0.0 0.0 0.0 0.0
972 1760.8 226.7 639.4 0.0 0.0 0.0 0.0 0.0 0.0
973 1933.7 237.0 1078.9 0.0 0.0 0.0 0.0 0.0 0.0
973 1760.8 226.8 636.6 0.0 0.0 0.0 0.0 0.0 0.0
974 1925.3 233.7 1077.7 0.0 0.0 0.0 0.0 0.0 0.0
974 1760.8 226.9 645.1 0.0 0.0 0.0 0.0 0.0 0.0
975 1952.3 235.7 1106.5 0.0 0.0 0.0 0.0 0.0 0.0
975 1760.8 226.8 650.3 0.0 0.0 0.0 0.0 0.0 0.0
976 1928.7 235.4 1109.7 0.0 0.0 0.0 0.0 0.0 0.0
976 1760.8 226.9 661.9 0.0 0.0 0.0 0.0 0.0 0.0
977 1746.0 233.0 1088.4 0.0 0.0 0.0 0.0 0.0 0.0
977 1760.7 226.2 636.8 0.0 0.0 0.0 0.0 0.0 0.0
978 1931.6 235.2 1086.9 0.0 0.0 0.0 0.0 0.0 0.0
978 1760.7 226.9 640.1 0.0 0.0 0.0 0.0 0.0 0.0
979 1935.4 236.8 1085.5 0.0 0.0 0.0 0.0 0.0 0.0
979 1760.7 226.9 640.8 0.0 0.0 0.0 0.0 0.0 0.0
980 1939.1 235.7 1089.3 0.0 0.0 0.0 0.0 0.0 0.0
980 1760.7 227.0 642.6 0.0 0.0 0.0 0.0 0.0 0.0
981 1934.8 238.3 1081.7 0.0 0.0 0.0 0.0 0.0 0.0
981 1760.7 226.9 639.6 0.0 0.0 0.0 0.0 0.0 0.0
982 1936.5 234.9 1090.0 0.0 0.0 0.0 0.0 0.0 0.0
982 1760.7 227.0 648.6 0.0 0.0 0.0 0.0 0.0 0.0
983 1952.9 237.3 1107.8 0.0 0.0 0.0 0.0 0.0 0.0
983 1760.7 226.9 654.3 0.0 0.0 0.0 0.0 0.0 0.0
984 1959.5 237.2 1116.0 0.0 0.0 0.0 0.0 0.0 0.0
984 1760.7 227.1 660.5 0.0 0.0 0.0 0.0 0.0 0.0
985 1710.1 271.1 1029.0 0.0 0.0 0.0 0.0 0.0 0.0
985 1760.8 268.6 601.6 0.0 0.0 0.0 0.0 0.0 0.0
986 1914.0 276.5 1028.0 0.0 0.0 0.0 0.0 0.0 0.0
986 1760.8 269.4 605.9 0.0 0.0 0.0 0.0 0.0 0.0
987 1909.1 278.6 1022.6 0.0 0.0 0.0 0.0 0.0 0.0
987 1760.8 269.3 608.8 0.0 0.0 0.0 0.0 0.0 0.0
988 1912.6 277.0 1023.9 0.0 0.0 0.0 0.0 0.0 0.0
988 1760.8 269.3 603.7 0.0 0.0 0.0 0.0 0.0 0.0
989 1913.0 278.0 1027.2 0.0 0.0 0.0 0.0 0.0 0.0
989 1760.8 269.4 608.8 0.0 0.0 0.0 0.0 0.0 0.0
990 1902.3 269.9 1026.3 0.0 0.0 0.0 0.0 0.0 0.0
990 1760.8 269.4 612.7 0.0 0.0 0.0 0.0 0.0 0.0
991 1916.4 271.0 1040.9 0.0 0.0 0.0 0.0 0.0 0.0
991 1760.8 269.4 616.9 0.0 0.0 0.0 0.0 0.0 0.0
992 1922.2 275.6 1049.3 0.0 0.0 0.0 0.0 0.0 0.0
992 1760.8 269.4 626.2 0.0 0.0 0.0 0.0 0.0 0.0
993 1711.7 263.9 1036.9 0.0 0.0 0.0 0.0 0.0 0.0
993 1760.7 258.2 609.2 0.0 0.0 0.0 0.0 0.0 0.0
994 1910.2 266.6 1035.3 0.0 0.0 0.0 0.0 0.0 0.0
994 1760.7 259.1 612.9 0.0 0.0 0.0 0.0 0.0 0.0
995 1910.2 265.8 1037.0 0.0 0.0 0.0 0.0 0.0 0.0
995 1760.7 259.0 615.0 0.0 0.0 0.0 0.0 0.0 0.0
996 1925.2 265.4 1050.8 0.0 0.0 0.0 0.0 0.0 0.0
996 1760.7 259.0 616.5 0.0 0.0 0.0 0.0 0.0 0.0
997 1905.1 264.4 1036.3 0.0 0.0 0.0 0.0 0.0 0.0
997 1760.7 259.0 619.3 0.0 0.0 0.0 0.0 0.0 0.0
998 1908.6 262.3 1038.7 0.0 0.0 0.0 0.0 0.0 0.0
998 1760.7 259.0 620.0 0.0 0.0 0.0 0.0 0.0 0.0
999 1927.7 264.7 1059.5 0.0 0.0 0.0 0.0 0.0 0.0
999 1760.7 259.0 626.1 0.0 0.0 0.0 0.0 0.0 0.0
1000 1926.3 264.2 1058.3 0.0 0.0 0.0 0.0 0.0 0.0
1000 1760.7 259.1 625.5 0.0 0.0 0.0 0.0 0.0 0.0
1001 1725.0 259.8 1040.7 0.0 0.0 0.0 0.0 0.0 0.0
1001 1760.7 253.7 607.6 0.0 0.0 0.0 0.0 0.0 0.0
1002 1917.4 262.8 1037.9 0.0 0.0 0.0 0.0 0.0 0.0
1002 1760.7 254.8 611.9 0.0 0.0 0.0 0.0 0.0 0.0
1003 1919.7 262.1 1044.4 0.0 0.0 0.0 0.0 0.0 0.0
1003 1760.7 254.7 611.8 0.0 0.0 0.0 0.0 0.0 0.0
1004 1918.2 261.8 1039.7 0.0 0.0 0.0 0.0 0.0 0.0
1004 1760.7 254.8 612.7 0.0 0.0 0.0 0.0 0.0 0.0
1005 1914.7 260.5 1040.1 0.0 0.0 0.0 0.0 0.0 0.0
1005 1760.7 254.7 616.7 0.0 0.0 0.0 0.0 0.0 0.0
1006 1906.7 258.3 1035.1 0.0 0.0 0.0 0.0 0.0 0.0
1006 1760.7 254.7 618.2 0.0 0.0 0.0 0.0 0.0 0.0
1007 1927.3 261.0 1054.5 0.0 0.0 0.0 0.0 0.0 0.0
1007 1760.7 254.7 620.8 0.0 0.0 0.0 0.0 0.0 0.0
1008 1930.9 260.6 1061.5 0.0 0.0 0.0 0.0 0.0 0.0
1008 1760.7 254.8 631.6 0.0 0.0 0.0 0.0 0.0 0.0
1009 1748.8 234.8 1098.5 0.0 0.0 0.0 0.0 0.0 0.0
1009 1760.7 228.3 641.7 0.0 0.0 0.0 0.0 0.0 0.0
1010 1945.3 237.2 1101.7 0.0 0.0 0.0 0.0 0.0 0.0
1010 1760.7 229.1 645.3 0.0 0.0 0.0 0.0 0.0 0.0
1011 1948.2 238.9 1103.1 0.0 0.0 0.0 0.0 0.0 0.0
1011 1760.7 229.1 647.3 0.0 0.0 0.0 0.0 0.0 0.0
1012 1958.1 238.4 1102.7 0.0 0.0 0.0 0.0 0.0 0.0
1012 1760.7 229.1 644.2 0.0 0.0 0.0 0.0 0.0 0.0
1013 1945.0 241.2 1094.7 0.0 0.0 0.0 0.0 0.0 0.0
1013 1760.7 229.2 644.8 0.0 0.0 0.0 0.0 0.0 0.0
1014 1941.0 237.4 1099.6 0.0 0.0 0.0 0.0 0.0 0.0
1014 1760.7 229.2 652.9 0.0 0.0 0.0 0.0 0.0 0.0
1015 1958.2 239.5 1113.9 0.0 0.0 0.0 0.0 0.0 0.0
1015 1760.7 229.3 655.5 0.0 0.0 0.0 0.0 0.0 0.0
1016 1961.7 239.1 1124.8 0.0 0.0 0.0 0.0 0.0 0.0
1016 1760.7 229.2 672.4 0.0 0.0 0.0 0.0 0.0 0.0
1017 1760.3 236.2 1097.5 0.0 0.0 0.0 0.0 0.0 0.0
1017 1760.7 228.8 637.1 0.0 0.0 0.0 0.0 0.0 0.0
1018 1956.1 238.1 1101.4 0.0 0.0 0.0 0.0 0.0 0.0
1018 1760.7 229.6 640.9 0.0 0.0 0.0 0.0 0.0 0.0
1019 1944.0 239.3 1090.2 0.0 0.0 0.0 0.0 0.0 0.0
1019 1760.7 229.5 642.1 0.0 0.0 0.0 0.0 0.0 0.0
1020 1946.6 238.4 1094.1 0.0 0.0 0.0 0.0 0.0 0.0
1020 1760.7 229.7 640.7 0.0 0.0 0.0 0.0 0.0 0.0
1021 1943.6 241.3 1090.1 0.0 0.0 0.0 0.0 0.0 0.0
1021 1760.7 229.7 643.6 0.0 0.0 0.0 0.0 0.0 0.0
1022 1941.2 238.0 1091.4 0.0 0.0 0.0 0.0 0.0 0.0
1022 1760.7 229.7 647.3 0.0 0.0 0.0 0.0 0.0 0.0
1023 1958.4 239.7 1110.5 0.0 0.0 0.0 0.0 0.0 0.0
1023 1760.7 229.6 655.3 0.0 0.0 0.0 0.0 0.0 0.0
1024 1963.4 239.9 1115.8 0.0 0.0 0.0 0.0 0.0 0.0
1024 1760.7 229.6 658.6 0.0 0.0 0.0 0.0 0.0 0.0
averaged 1907.8 262.4 1056.2 0.0 0.0 0.0 0.0 0.0 0.0
averaged 1760.7 256.1 621.8 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 5.6 785.0 2.7 0.0 1353.6 0.0 0.7 0.0 0.0
1 11.5 800.6 7.0 0.0 932.5 0.0 1.6 0.0 0.0
2 5.8 812.7 2.8 0.0 1342.7 0.0 1.1 0.0 0.0
2 11.5 800.6 7.0 0.0 932.5 0.0 1.6 0.0 0.0
3 5.8 792.1 2.8 0.0 1334.5 0.0 1.1 0.0 0.0
3 11.5 800.6 7.0 0.0 932.5 0.0 1.6 0.0 0.0
4 5.8 705.7 2.8 0.0 1337.0 0.0 1.1 0.0 0.0
4 11.5 800.6 7.0 0.0 932.5 0.0 1.6 0.0 0.0
5 5.7 706.1 2.7 0.0 1345.0 0.0 1.1 0.0 0.0
5 11.5 800.6 7.0 0.0 932.5 0.0 1.6 0.0 0.0
6 5.7 737.6 2.7 0.0 1325.7 0.0 1.1 0.0 0.0
6 11.5 800.6 7.0 0.0 932.5 0.0 1.6 0.0 0.0
7 5.7 712.1 2.7 0.0 1338.6 0.0 1.1 0.0 0.0
7 11.5 800.6 7.0 0.0 932.5 0.0 1.6 0.0 0.0
8 5.7 745.8 2.7 0.0 1344.5 0.0 1.1 0.0 0.0
8 11.5 800.6 7.0 0.0 932.5 0.0 1.6 0.0 0.0
9 5.6 20.1 2.8 330.3 1370.2 0.0 0.4 0.0 0.0
9 11.5 18.3 7.0 782.3 933.1 0.0 1.0 0.0 0.0
10 5.7 20.7 2.7 543.7 1348.0 0.0 0.7 0.0 0.0
10 11.5 18.3 7.0 782.3 933.1 0.0 1.0 0.0 0.0
11 5.7 20.2 2.8 542.3 1346.7 0.0 0.7 0.0 0.0
11 11.5 18.3 7.0 782.3 933.1 0.0 1.0 0.0 0.0
12 5.7 20.2 2.7 544.9 1350.1 0.0 0.7 0.0 0.0
12 11.5 18.3 7.0 782.3 933.1 0.0 1.0 0.0 0.0
13 5.6 20.4 2.6 543.1 1337.9 0.0 0.7 0.0 0.0
13 11.5 18.3 7.0 782.3 933.1 0.0 1.0 0.0 0.0
14 5.7 20.4 2.7 543.5 1351.7 0.0 0.7 0.0 0.0
14 11.5 18.3 7.0 782.3 933.1 0.0 1.0 0.0 0.0
15 5.7 20.5 2.8 543.1 1350.5 0.0 0.7 0.0 0.0
15 11.5 18.3 7.0 782.3 933.1 0.0 1.0 0.0 0.0
16 5.6 20.4 2.7 543.9 1359.7 0.0 0.7 0.0 0.0
16 11.5 18.3 7.0 782.3 933.1 0.0 1.0 0.0 0.0
17 5.6 10.0 2.7 328.6 1393.5 0.0 0.7 0.0 0.0
17 11.5 9.9 7.0 790.7 932.5 0.0 1.6 0.0 0.0
18 5.7 11.4 2.8 551.4 1379.5 0.0 1.1 0.0 0.0
18 11.5 9.9 7.0 790.7 932.5 0.0 1.6 0.0 0.0
19 5.7 11.6 2.7 548.1 1375.0 0.0 1.1 0.0 0.0
19 11.5 9.9 7.0 790.7 932.5 0.0 1.6 0.0 0.0
20 5.6 11.5 2.7 547.3 1372.1 0.0 1.1 0.0 0.0
20 11.5 9.9 7.0 790.7 932.5 0.0 1.6 0.0 0.0
21 5.7 11.4 2.7 540.0 1378.0 0.0 1.1 0.0 0.0
21 11.5 9.9 7.0 790.7 932.5 0.0 1.6 0.0 0.0
22 5.7 11.4 2.7 549.6 1362.0 0.0 1.1 0.0 0.0
22 11.5 9.9 7.0 790.7 932.5 0.0 1.6 0.0 0.0
23 5.7 11.4 2.8 548.6 1376.4 0.0 1.1 0.0 0.0
23 11.5 9.9 7.0 790.7 932.5 0.0 1.6 0.0 0.0
24 5.7 11.3 2.8 546.9 1385.9 0.0 1.1 0.0 0.0
24 11.5 9.9 7.0 790.7 932.5 0.0 1.6 0.0 0.0
25 5.7 10.4 2.8 334.7 1366.1 0.0 0.8 0.0 0.0
25 11.5 10.2 7.0 790.4 932.2 0.0 1.9 0.0 0.0
26 5.7 11.9 2.8 550.1 1355.1 0.0 1.3 0.0 0.0
26 11.5 10.2 7.0 790.4 932.2 0.0 1.9 0.0 0.0
27 5.7 11.7 2.8 547.7 1345.2 0.0 1.3 0.0 0.0
27 11.5 10.2 7.0 790.4 932.2 0.0 1.9 0.0 0.0
28 5.7 11.9 2.7 549.8 1355.1 0.0 1.3 0.0 0.0
28 11.5 10.2 7.0 790.4 932.2 0.0 1.9 0.0 0.0
29 5.6 11.8 2.7 548.6 1339.2 0.0 1.3 0.0 0.0
29 11.5 10.2 7.0 790.4 932.2 0.0 1.9 0.0 0.0
30 5.8 11.8 2.8 551.1 1331.8 0.0 1.3 0.0 0.0
30 11.5 10.2 7.0 790.4 932.2 0.0 1.9 0.0 0.0
31 5.6 11.9 2.7 549.2 1351.3 0.0 1.3 0.0 0.0
31 11.5 10.2 7.0 790.4 932.2 0.0 1.9 0.0 0.0
32 5.6 11.8 2.7 550.8 1352.3 0.0 1.3 0.0 0.0
32 11.5 10.2 7.0 790.4 932.2 0.0 1.9 0.0 0.0
33 5.6 13.6 2.7 333.9 1385.1 0.0 0.8 0.0 0.0
33 11.5 11.9 7.0 788.7 932.2 0.0 1.9 0.0 0.0
34 5.7 14.0 2.7 546.6 1365.8 0.0 1.3 0.0 0.0
34 11.5 11.9 7.0 788.7 932.2 0.0 1.9 0.0 0.0
35 5.8 13.7 2.8 546.5 1365.1 0.0 1.3 0.0 0.0
35 11.5 11.9 7.0 788.7 932.2 0.0 1.9 0.0 0.0
36 5.7 14.1 2.7 546.5 1367.9 0.0 1.3 0.0 0.0
36 11.5 11.9 7.0 788.7 932.2 0.0 1.9 0.0 0.0
37 5.7 13.8 2.7 547.6 1360.6 0.0 1.3 0.0 0.0
37 11.5 11.9 7.0 788.7 932.2 0.0 1.9 0.0 0.0
38 5.8 13.8 2.8 546.1 1354.2 0.0 1.3 0.0 0.0
38 11.5 11.9 7.0 788.7 932.2 0.0 1.9 0.0 0.0
39 5.7 13.9 2.8 544.3 1374.9 0.0 1.3 0.0 0.0
39 11.5 11.9 7.0 788.7 932.2 0.0 1.9 0.0 0.0
40 5.6 14.0 2.7 547.3 1379.7 0.0 1.3 0.0 0.0
40 11.5 11.9 7.0 788.7 932.2 0.0 1.9 0.0 0.0
41 5.6 20.3 2.8 330.1 1294.2 0.0 0.4 0.0 0.0
41 11.5 19.3 7.0 781.3 933.1 0.0 1.0 0.0 0.0
42 5.7 21.9 2.7 537.9 1272.6 0.0 0.7 0.0 0.0
42 11.5 19.3 7.0 781.3 933.1 0.0 1.0 0.0 0.0
43 5.7 21.8 2.8 541.9 1241.1 0.0 0.7 0.0 0.0
43 11.5 19.3 7.0 781.3 933.1 0.0 1.0 0.0 0.0
44 5.6 21.9 2.7 543.5 1262.7 0.0 0.7 0.0 0.0
44 11.5 19.3 7.0 781.3 933.1 0.0 1.0 0.0 0.0
45 5.7 21.8 2.7 542.9 1264.6 0.0 0.7 0.0 0.0
45 11.5 19.3 7.0 781.3 933.1 0.0 1.0 0.0 0.0
46 5.6 21.9 2.7 541.0 1235.6 0.0 0.7 0.0 0.0
46 11.5 19.3 7.0 781.3 933.1 0.0 1.0 0.0 0.0
47 5.6 22.1 2.7 542.6 1255.3 0.0 0.7 0.0 0.0
47 11.5 19.3 7.0 781.3 933.1 0.0 1.0 0.0 0.0
48 5.7 22.0 2.8 543.1 1253.3 0.0 0.7 0.0 0.0
48 11.5 19.3 7.0 781.3 933.1 0.0 1.0 0.0 0.0
49 5.7 20.3 2.8 329.3 1363.7 0.0 0.5 0.0 0.0
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100 5.9 21.2 2.8 542.4 1349.2 0.0 0.4 0.0 0.0
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113 11.5 18.1 7.0 782.6 933.0 0.0 1.1 0.0 0.0
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565 11.5 18.7 7.0 781.9 932.1 0.0 2.0 0.0 0.0
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572 5.7 11.4 2.7 550.7 1379.2 0.0 0.4 0.0 0.0
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573 5.6 11.3 2.7 545.0 1390.3 0.0 0.4 0.0 0.0
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574 5.7 11.4 2.7 549.7 1373.3 0.0 0.4 0.0 0.0
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575 5.7 11.3 2.7 549.1 1393.3 0.0 0.4 0.0 0.0
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948 5.7 11.3 2.8 549.2 1352.2 0.0 1.0 0.0 0.0
948 11.5 10.1 7.0 790.5 932.7 0.0 1.4 0.0 0.0
949 5.6 11.4 2.7 548.3 1361.0 0.0 0.9 0.0 0.0
949 11.5 10.1 7.0 790.5 932.7 0.0 1.4 0.0 0.0
950 5.7 11.5 2.7 550.1 1341.6 0.0 1.0 0.0 0.0
950 11.5 10.1 7.0 790.5 932.7 0.0 1.4 0.0 0.0
951 5.7 11.2 2.8 548.3 1366.4 0.0 1.0 0.0 0.0
951 11.5 10.1 7.0 790.5 932.7 0.0 1.4 0.0 0.0
952 5.5 11.5 2.6 548.7 1367.2 0.0 1.0 0.0 0.0
952 11.5 10.1 7.0 790.5 932.7 0.0 1.4 0.0 0.0
953 5.6 10.0 2.7 330.1 1357.2 0.0 0.2 0.0 0.0
953 11.5 11.0 7.0 789.6 933.7 0.0 0.4 0.0 0.0
954 5.6 11.4 2.7 547.3 1335.2 0.0 0.3 0.0 0.0
954 11.5 11.0 7.0 789.6 933.7 0.0 0.4 0.0 0.0
955 5.6 11.5 2.7 547.7 1333.0 0.0 0.3 0.0 0.0
955 11.5 11.0 7.0 789.6 933.7 0.0 0.4 0.0 0.0
956 5.7 11.3 2.8 548.1 1341.1 0.0 0.3 0.0 0.0
956 11.5 11.0 7.0 789.6 933.7 0.0 0.4 0.0 0.0
957 5.7 11.3 2.7 548.3 1357.4 0.0 0.3 0.0 0.0
957 11.5 11.0 7.0 789.6 933.7 0.0 0.4 0.0 0.0
958 5.7 11.3 2.8 547.0 1320.0 0.0 0.3 0.0 0.0
958 11.5 11.0 7.0 789.6 933.7 0.0 0.4 0.0 0.0
959 5.8 11.3 2.8 547.2 1334.8 0.0 0.3 0.0 0.0
959 11.5 11.0 7.0 789.6 933.7 0.0 0.4 0.0 0.0
960 5.7 11.1 2.7 548.5 1344.7 0.0 0.3 0.0 0.0
960 11.5 11.0 7.0 789.6 933.7 0.0 0.4 0.0 0.0
961 5.5 10.7 2.7 333.6 1390.7 0.0 0.0 0.0 0.0
961 11.5 10.6 7.0 790.0 934.0 0.0 0.1 0.0 0.0
962 5.6 12.0 2.7 543.3 1369.0 0.0 0.1 0.0 0.0
962 11.5 10.6 7.0 790.0 934.0 0.0 0.1 0.0 0.0
963 5.6 12.1 2.6 548.6 1363.6 0.0 0.1 0.0 0.0
963 11.5 10.6 7.0 790.0 934.0 0.0 0.1 0.0 0.0
964 5.7 11.9 2.7 547.4 1366.7 0.0 0.1 0.0 0.0
964 11.5 10.6 7.0 790.0 934.0 0.0 0.1 0.0 0.0
965 5.7 11.8 2.8 549.7 1383.4 0.0 0.1 0.0 0.0
965 11.5 10.6 7.0 790.0 934.0 0.0 0.1 0.0 0.0
966 5.5 12.0 2.6 545.9 1358.2 0.0 0.1 0.0 0.0
966 11.5 10.6 7.0 790.0 934.0 0.0 0.1 0.0 0.0
967 5.7 11.8 2.8 548.4 1382.6 0.0 0.1 0.0 0.0
967 11.5 10.6 7.0 790.0 934.0 0.0 0.1 0.0 0.0
968 5.6 11.9 2.7 549.6 1378.9 0.0 0.1 0.0 0.0
968 11.5 10.6 7.0 790.0 934.0 0.0 0.1 0.0 0.0
969 5.5 10.2 2.7 335.9 1394.5 0.0 0.5 0.0 0.0
969 11.5 10.7 7.0 789.9 932.9 0.0 1.3 0.0 0.0
970 5.7 11.3 2.8 545.6 1365.7 0.0 0.9 0.0 0.0
970 11.5 10.7 7.0 789.9 932.9 0.0 1.3 0.0 0.0
971 5.8 11.3 2.8 549.5 1365.2 0.0 0.9 0.0 0.0
971 11.5 10.7 7.0 789.9 932.9 0.0 1.3 0.0 0.0
972 5.7 11.2 2.8 549.9 1372.0 0.0 0.9 0.0 0.0
972 11.5 10.7 7.0 789.9 932.9 0.0 1.3 0.0 0.0
973 5.7 11.3 2.7 549.4 1360.1 0.0 0.9 0.0 0.0
973 11.5 10.7 7.0 789.9 932.9 0.0 1.3 0.0 0.0
974 5.7 11.2 2.8 549.1 1351.9 0.0 0.9 0.0 0.0
974 11.5 10.7 7.0 789.9 932.9 0.0 1.3 0.0 0.0
975 5.6 11.3 2.7 547.9 1380.3 0.0 0.9 0.0 0.0
975 11.5 10.7 7.0 789.9 932.9 0.0 1.3 0.0 0.0
976 5.5 11.2 2.7 526.8 1378.0 0.0 0.8 0.0 0.0
976 11.5 10.7 7.0 789.9 932.9 0.0 1.3 0.0 0.0
977 5.5 10.7 2.7 335.0 1387.8 0.0 0.4 0.0 0.0
977 11.5 10.5 7.0 790.1 933.1 0.0 1.0 0.0 0.0
978 5.7 11.7 2.7 543.3 1363.8 0.0 0.7 0.0 0.0
978 11.5 10.5 7.0 790.1 933.1 0.0 1.0 0.0 0.0
979 5.6 11.7 2.7 547.2 1363.7 0.0 0.7 0.0 0.0
979 11.5 10.5 7.0 790.1 933.1 0.0 1.0 0.0 0.0
980 5.7 11.8 2.7 548.9 1365.7 0.0 0.7 0.0 0.0
980 11.5 10.5 7.0 790.1 933.1 0.0 1.0 0.0 0.0
981 5.7 11.7 2.8 548.4 1361.9 0.0 0.7 0.0 0.0
981 11.5 10.5 7.0 790.1 933.1 0.0 1.0 0.0 0.0
982 5.7 11.5 2.8 549.0 1363.1 0.0 0.7 0.0 0.0
982 11.5 10.5 7.0 790.1 933.1 0.0 1.0 0.0 0.0
983 5.6 11.7 2.7 547.6 1381.0 0.0 0.7 0.0 0.0
983 11.5 10.5 7.0 790.1 933.1 0.0 1.0 0.0 0.0
984 5.7 11.7 2.7 548.7 1386.3 0.0 0.7 0.0 0.0
984 11.5 10.5 7.0 790.1 933.1 0.0 1.0 0.0 0.0
985 5.5 10.4 2.6 335.4 1351.9 0.0 0.4 0.0 0.0
985 11.5 10.7 7.0 790.0 933.2 0.0 0.9 0.0 0.0
986 5.7 11.8 2.8 548.3 1341.0 0.0 0.6 0.0 0.0
986 11.5 10.7 7.0 790.0 933.2 0.0 0.9 0.0 0.0
987 5.7 11.8 2.8 548.1 1336.5 0.0 0.6 0.0 0.0
987 11.5 10.7 7.0 790.0 933.2 0.0 0.9 0.0 0.0
988 5.7 11.7 2.8 549.7 1338.3 0.0 0.6 0.0 0.0
988 11.5 10.7 7.0 790.0 933.2 0.0 0.9 0.0 0.0
989 5.1 12.5 2.1 548.3 1340.5 0.0 0.6 0.0 0.0
989 11.5 10.7 7.0 790.0 933.2 0.0 0.9 0.0 0.0
990 5.7 11.7 2.7 548.1 1329.8 0.0 0.6 0.0 0.0
990 11.5 10.7 7.0 790.0 933.2 0.0 0.9 0.0 0.0
991 5.7 11.7 2.7 548.2 1343.8 0.0 0.6 0.0 0.0
991 11.5 10.7 7.0 790.0 933.2 0.0 0.9 0.0 0.0
992 5.6 11.8 2.6 545.2 1352.7 0.0 0.6 0.0 0.0
992 11.5 10.7 7.0 790.0 933.2 0.0 0.9 0.0 0.0
993 5.4 9.9 2.6 328.1 1361.0 0.0 0.8 0.0 0.0
993 11.5 10.4 7.0 790.2 932.2 0.0 1.9 0.0 0.0
994 5.6 11.2 2.7 545.8 1339.9 0.0 1.3 0.0 0.0
994 11.5 10.4 7.0 790.2 932.2 0.0 1.9 0.0 0.0
995 5.7 11.2 2.7 545.8 1339.9 0.0 1.3 0.0 0.0
995 11.5 10.4 7.0 790.2 932.2 0.0 1.9 0.0 0.0
996 5.6 11.2 2.7 548.1 1352.7 0.0 1.3 0.0 0.0
996 11.5 10.4 7.0 790.2 932.2 0.0 1.9 0.0 0.0
997 5.7 11.2 2.7 544.6 1335.9 0.0 1.3 0.0 0.0
997 11.5 10.4 7.0 790.2 932.2 0.0 1.9 0.0 0.0
998 5.6 11.3 2.7 548.1 1335.9 0.0 1.3 0.0 0.0
998 11.5 10.4 7.0 790.2 932.2 0.0 1.9 0.0 0.0
999 5.7 11.2 2.7 546.4 1356.7 0.0 1.3 0.0 0.0
999 11.5 10.4 7.0 790.2 932.2 0.0 1.9 0.0 0.0
1000 5.6 11.2 2.7 546.6 1355.3 0.0 1.3 0.0 0.0
1000 11.5 10.4 7.0 790.2 932.2 0.0 1.9 0.0 0.0
1001 5.6 9.8 2.8 334.5 1367.7 0.0 0.7 0.0 0.0
1001 11.5 10.5 7.0 790.1 932.5 0.0 1.6 0.0 0.0
1002 5.8 11.0 2.8 549.5 1343.6 0.0 1.1 0.0 0.0
1002 11.5 10.5 7.0 790.1 932.5 0.0 1.6 0.0 0.0
1003 5.7 11.2 2.7 546.1 1349.2 0.0 1.1 0.0 0.0
1003 11.5 10.5 7.0 790.1 932.5 0.0 1.6 0.0 0.0
1004 5.8 11.1 2.8 549.8 1344.1 0.0 1.1 0.0 0.0
1004 11.5 10.5 7.0 790.1 932.5 0.0 1.6 0.0 0.0
1005 5.7 11.3 2.7 548.7 1341.5 0.0 1.1 0.0 0.0
1005 11.5 10.5 7.0 790.1 932.5 0.0 1.6 0.0 0.0
1006 5.8 11.1 2.8 548.6 1333.7 0.0 1.1 0.0 0.0
1006 11.5 10.5 7.0 790.1 932.5 0.0 1.6 0.0 0.0
1007 5.8 11.1 2.8 548.2 1354.7 0.0 1.1 0.0 0.0
1007 11.5 10.5 7.0 790.1 932.5 0.0 1.6 0.0 0.0
1008 5.8 11.1 2.8 549.8 1356.7 0.0 1.1 0.0 0.0
1008 11.5 10.5 7.0 790.1 932.5 0.0 1.6 0.0 0.0
1009 5.6 9.8 2.8 335.7 1390.9 0.0 0.2 0.0 0.0
1009 11.5 10.2 7.0 790.4 933.7 0.0 0.4 0.0 0.0
1010 5.8 11.2 2.8 545.7 1375.9 0.0 0.3 0.0 0.0
1010 11.5 10.2 7.0 790.4 933.7 0.0 0.4 0.0 0.0
1011 5.7 11.3 2.8 546.7 1378.0 0.0 0.3 0.0 0.0
1011 11.5 10.2 7.0 790.4 933.7 0.0 0.4 0.0 0.0
1012 5.8 11.2 2.8 555.4 1378.9 0.0 0.3 0.0 0.0
1012 11.5 10.2 7.0 790.4 933.7 0.0 0.4 0.0 0.0
1013 5.8 11.1 2.8 548.2 1373.1 0.0 0.3 0.0 0.0
1013 11.5 10.2 7.0 790.4 933.7 0.0 0.4 0.0 0.0
1014 5.7 11.3 2.7 546.5 1370.8 0.0 0.3 0.0 0.0
1014 11.5 10.2 7.0 790.4 933.7 0.0 0.4 0.0 0.0
1015 5.8 11.3 2.8 548.5 1385.9 0.0 0.3 0.0 0.0
1015 11.5 10.2 7.0 790.4 933.7 0.0 0.4 0.0 0.0
1016 5.7 11.2 2.8 548.8 1389.3 0.0 0.3 0.0 0.0
1016 11.5 10.2 7.0 790.4 933.7 0.0 0.4 0.0 0.0
1017 5.8 20.2 2.8 330.7 1396.1 0.0 0.5 0.0 0.0
1017 11.5 18.6 7.0 782.0 932.8 0.0 1.3 0.0 0.0
1018 5.9 20.9 2.8 544.8 1377.1 0.0 0.9 0.0 0.0
1018 11.5 18.6 7.0 782.0 932.8 0.0 1.3 0.0 0.0
1019 5.9 20.8 2.8 543.0 1366.9 0.0 0.9 0.0 0.0
1019 11.5 18.6 7.0 782.0 932.8 0.0 1.3 0.0 0.0
1020 5.9 20.9 2.8 542.1 1370.3 0.0 0.9 0.0 0.0
1020 11.5 18.6 7.0 782.0 932.8 0.0 1.3 0.0 0.0
1021 5.9 20.8 2.8 541.5 1368.0 0.0 0.9 0.0 0.0
1021 11.5 18.6 7.0 782.0 932.8 0.0 1.3 0.0 0.0
1022 5.9 20.8 2.8 542.6 1364.6 0.0 0.9 0.0 0.0
1022 11.5 18.6 7.0 782.0 932.8 0.0 1.3 0.0 0.0
1023 5.9 20.9 2.8 542.3 1382.0 0.0 0.9 0.0 0.0
1023 11.5 18.6 7.0 782.0 932.8 0.0 1.3 0.0 0.0
1024 5.8 20.8 2.8 543.1 1386.1 0.0 0.9 0.0 0.0
1024 11.5 18.6 7.0 782.0 932.8 0.0 1.3 0.0 0.0
averaged 5.7 33.1 2.7 506.3 1356.3 0.0 0.8 0.0 0.0
averaged 11.5 33.1 7.0 767.5 933.0 0.0 1.1 0.0 0.0
1077930456 WORDS OF DYNAMIC MEMORY USED
EXECUTION OF GAMESS TERMINATED NORMALLY 23:42:11 03-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: 2150.787 + 457.678 = 2608.465
1: 2173.659 + 437.899 = 2611.558
2: 2144.891 + 467.485 = 2612.376
3: 2060.809 + 554.778 = 2615.587
4: 2069.185 + 448.917 = 2518.102
5: 2081.414 + 517.715 = 2599.130
6: 2068.822 + 560.642 = 2629.464
7: 2108.404 + 523.90 = 2631.495
8: 1734.350 + 879.619 = 2613.969
9: 1929.572 + 682.745 = 2612.318
10: 1926.590 + 683.886 = 2610.477
11: 1932.469 + 679.711 = 2612.180
12: 1918.471 + 673.799 = 2592.271
13: 1932.792 + 560.317 = 2493.109
14: 1931.392 + 694.05 = 2625.398
15: 1941.218 + 688.307 = 2629.526
16: 1745.966 + 928.458 = 2674.425
17: 1959.489 + 717.825 = 2677.314
18: 1951.942 + 709.827 = 2661.770
19: 1947.873 + 725.332 = 2673.205
20: 1946.477 + 648.167 = 2594.645
21: 1940.55 + 728.30 = 2668.85
22: 1953.727 + 729.69 = 2682.797
23: 1961.357 + 723.650 = 2685.07
24: 1725.257 + 903.09 = 2628.267
25: 1934.456 + 686.08 = 2620.464
26: 1921.976 + 702.484 = 2624.460
27: 1934.197 + 648.280 = 2582.477
28: 1916.692 + 671.745 = 2588.438
29: 1912.101 + 711.976 = 2624.78
30: 1929.549 + 709.619 = 2639.168
31: 1932.40 + 707.971 = 2640.12
32: 1746.646 + 925.705 = 2672.351
33: 1944.208 + 732.925 = 2677.134
34: 1943.142 + 730.310 = 2673.452
35: 1946.154 + 724.702 = 2670.856
36: 1939.616 + 704.420 = 2644.37
37: 1931.977 + 742.352 = 2674.330
38: 1950.739 + 737.605 = 2688.345
39: 1958.529 + 733.328 = 2691.857
40: 1658.288 + 793.880 = 2452.169
41: 1849.599 + 597.134 = 2446.734
42: 1822.214 + 594.810 = 2417.24
43: 1845.219 + 596.695 = 2441.915
44: 1846.593 + 571.512 = 2418.105
45: 1815.802 + 632.126 = 2447.928
46: 1837.213 + 578.842 = 2416.55
47: 1835.716 + 622.369 = 2458.86
48: 1727.97 + 882.816 = 2609.913
49: 1930.524 + 678.204 = 2608.728
50: 1946.340 + 569.455 = 2515.795
51: 1925.128 + 680.699 = 2605.828
52: 1924.383 + 644.267 = 2568.650
53: 1913.393 + 668.498 = 2581.891
54: 1928.583 + 691.359 = 2619.942
55: 1936.900 + 684.508 = 2621.408
56: 2001.421 + 601.515 = 2602.937
57: 2082.794 + 515.518 = 2598.313
58: 2097.07 + 429.03 = 2526.11
59: 2084.17 + 516.381 = 2600.399
60: 2049.847 + 527.481 = 2577.329
61: 2017.830 + 547.500 = 2565.331
62: 2036.192 + 568.622 = 2604.815
63: 2082.131 + 530.204 = 2612.335
64: 1727.324 + 907.983 = 2635.307
65: 1933.307 + 701.500 = 2634.808
66: 1932.962 + 670.516 = 2603.478
67: 1923.763 + 704.276 = 2628.39
68: 1911.981 + 712.474 = 2624.456
69: 1912.655 + 720.925 = 2633.580
70: 1930.904 + 718.317 = 2649.221
71: 1939.528 + 716.325 = 2655.854
72: 1699.517 + 868.58 = 2567.576
73: 1904.292 + 663.248 = 2567.540
74: 1898.821 + 666.35 = 2564.857
75: 1893.970 + 580.334 = 2474.304
76: 1894.196 + 611.657 = 2505.854
77: 1880.334 + 679.492 = 2559.826
78: 1899.587 + 682.804 = 2582.391
79: 1906.481 + 676.96 = 2582.578
80: 1754.791 + 919.405 = 2674.197
81: 1950.468 + 723.201 = 2673.670
82: 1942.214 + 727.439 = 2669.654
83: 1950.789 + 720.578 = 2671.368
84: 1947.548 + 676.822 = 2624.371
85: 1941.104 + 722.55 = 2663.159
86: 1959.661 + 719.11 = 2678.673
87: 1956.40 + 732.354 = 2688.394
88: 1747.522 + 918.315 = 2665.837
89: 1947.46 + 721.87 = 2668.133
90: 1943.756 + 701.722 = 2645.478
91: 1948.869 + 716.454 = 2665.324
92: 1939.933 + 669.651 = 2609.584
93: 1921.884 + 731.295 = 2653.180
94: 1950.566 + 726.612 = 2677.178
95: 1965.537 + 717.294 = 2682.831
96: 1727.341 + 900.544 = 2627.886
97: 1934.712 + 685.742 = 2620.454
98: 1913.251 + 710.838 = 2624.90
99: 1929.844 + 694.213 = 2624.57
100: 1922.576 + 667.826 = 2590.402
101: 1917.607 + 692.287 = 2609.894
102: 1927.504 + 712.111 = 2639.615
103: 1936.551 + 710.348 = 2646.899
104: 1756.480 + 912.123 = 2668.603
105: 1949.893 + 719.35 = 2668.928
106: 1945.670 + 719.956 = 2665.626
107: 1952.51 + 714.221 = 2666.272
108: 1954.648 + 636.687 = 2591.335
109: 1941.565 + 717.966 = 2659.531
110: 1959.183 + 712.294 = 2671.478
111: 1960.806 + 724.133 = 2684.939
112: 1731.563 + 892.382 = 2623.946
113: 1934.949 + 690.712 = 2625.661
114: 1927.981 + 663.784 = 2591.766
115: 1926.317 + 705.458 = 2631.775
116: 1913.697 + 700.562 = 2614.259
117: 1912.02 + 716.130 = 2628.132
118: 1933.525 + 707.632 = 2641.157
119: 1934.919 + 709.882 = 2644.801
120: 1750.553 + 924.348 = 2674.902
121: 1956.428 + 730.155 = 2686.583
122: 1957.480 + 729.164 = 2686.644
123: 1959.603 + 719.990 = 2679.594
124: 1958.733 + 671.415 = 2630.148
125: 1949.209 + 726.816 = 2676.25
126: 1969.104 + 730.392 = 2699.496
127: 1978.650 + 725.810 = 2704.460
128: 1762.40 + 921.506 = 2683.547
129: 1954.808 + 732.67 = 2686.875
130: 1958.978 + 726.188 = 2685.166
131: 1968.851 + 708.859 = 2677.710
132: 1956.87 + 702.155 = 2658.243
133: 1953.178 + 705.385 = 2658.563
134: 1965.139 + 735.258 = 2700.398
135: 1976.95 + 727.599 = 2703.695
136: 1962.499 + 608.296 = 2570.796
137: 2012.158 + 568.03 = 2580.162
138: 1989.513 + 578.657 = 2568.170
139: 1974.505 + 591.735 = 2566.241
140: 1961.832 + 596.30 = 2557.862
141: 1973.821 + 518.287 = 2492.108
142: 1979.79 + 610.602 = 2589.681
143: 1983.232 + 608.805 = 2592.38
144: 1747.872 + 917.557 = 2665.429
145: 1940.930 + 724.392 = 2665.322
146: 1941.441 + 723.101 = 2664.542
147: 1948.926 + 713.513 = 2662.439
148: 1953.185 + 654.752 = 2607.938
149: 1945.936 + 706.452 = 2652.389
150: 1954.363 + 725.380 = 2679.744
151: 1949.682 + 726.919 = 2676.602
152: 1755.511 + 929.385 = 2684.896
153: 1962.81 + 726.377 = 2688.459
154: 1953.374 + 730.152 = 2683.526
155: 1963.320 + 700.23 = 2663.343
156: 1954.254 + 662.792 = 2617.46
157: 1944.311 + 736.479 = 2680.791
158: 1969.997 + 732.393 = 2702.391
159: 1973.974 + 734.369 = 2708.344
160: 1751.784 + 917.525 = 2669.309
161: 1956.550 + 723.19 = 2679.569
162: 1952.03 + 721.979 = 2673.983
163: 1953.160 + 718.699 = 2671.860
164: 1949.207 + 617.496 = 2566.704
165: 1945.485 + 723.124 = 2668.610
166: 1972.555 + 720.208 = 2692.763
167: 1968.736 + 729.87 = 2697.823
168: 1721.266 + 891.29 = 2612.296
169: 1925.47 + 697.799 = 2622.846
170: 1933.995 + 687.981 = 2621.977
171: 1928.537 + 696.582 = 2625.120
172: 1944.880 + 560.36 = 2504.917
173: 1923.368 + 702.540 = 2625.909
174: 1950.767 + 686.610 = 2637.377
175: 1946.905 + 696.422 = 2643.328
176: 1725.954 + 901.651 = 2627.606
177: 1921.798 + 703.301 = 2625.100
178: 1922.268 + 699.483 = 2621.751
179: 1931.105 + 685.733 = 2616.839
180: 1931.985 + 616.478 = 2548.463
181: 1914.598 + 698.746 = 2613.345
182: 1928.867 + 707.362 = 2636.230
183: 1938.212 + 697.359 = 2635.572
184: 1725.304 + 874.54 = 2599.359
185: 1928.70 + 672.814 = 2600.884
186: 1926.39 + 662.479 = 2588.518
187: 1918.293 + 678.768 = 2597.61
188: 1935.789 + 533.899 = 2469.689
189: 1910.502 + 665.724 = 2576.227
190: 1923.579 + 687.700 = 2611.279
191: 1932.492 + 682.431 = 2614.923
192: 1721.867 + 888.943 = 2610.810
193: 1923.362 + 682.390 = 2605.753
194: 1942.724 + 550.636 = 2493.361
195: 1918.949 + 687.557 = 2606.506
196: 1916.26 + 657.547 = 2573.573
197: 1906.135 + 693.947 = 2600.83
198: 1928.614 + 689.302 = 2617.917
199: 1930.53 + 693.18 = 2623.72
200: 1742.748 + 930.543 = 2673.292
201: 1952.783 + 725.219 = 2678.02
202: 1944.685 + 728.620 = 2673.306
203: 1942.714 + 731.962 = 2674.676
204: 1941.691 + 675.858 = 2617.549
205: 1937.566 + 728.798 = 2666.364
206: 1958.138 + 732.781 = 2690.920
207: 1953.134 + 737.217 = 2690.351
208: 1722.205 + 890.334 = 2612.539
209: 1930.322 + 667.667 = 2597.989
210: 1924.629 + 690.696 = 2615.326
211: 1933.373 + 682.82 = 2615.455
212: 1936.991 + 587.373 = 2524.365
213: 1907.469 + 706.334 = 2613.803
214: 1938.807 + 693.194 = 2632.01
215: 1939.146 + 692.388 = 2631.534
216: 1765.93 + 927.197 = 2692.291
217: 1963.860 + 728.672 = 2692.532
218: 1956.461 + 721.619 = 2678.80
219: 1954.53 + 735.217 = 2689.270
220: 1950.85 + 700.330 = 2650.415
221: 1943.745 + 741.429 = 2685.175
222: 1970.800 + 734.964 = 2705.765
223: 1972.421 + 740.549 = 2712.971
224: 1756.938 + 935.218 = 2692.156
225: 1954.976 + 738.459 = 2693.435
226: 1953.473 + 732.760 = 2686.233
227: 1961.176 + 719.295 = 2680.471
228: 1952.198 + 704.985 = 2657.183
229: 1948.03 + 736.648 = 2684.651
230: 1970.858 + 737.794 = 2708.652
231: 1973.962 + 736.794 = 2710.756
232: 1753.388 + 927.82 = 2680.470
233: 1951.367 + 730.29 = 2681.397
234: 1942.18 + 734.573 = 2676.591
235: 1940.448 + 738.457 = 2678.905
236: 1940.588 + 705.153 = 2645.742
237: 1934.100 + 734.144 = 2668.244
238: 1957.232 + 733.609 = 2690.842
239: 1957.893 + 735.811 = 2693.705
240: 1746.267 + 934.531 = 2680.798
241: 1946.288 + 736.147 = 2682.436
242: 1944.983 + 733.456 = 2678.440
243: 1950.568 + 726.973 = 2677.542
244: 1945.603 + 687.637 = 2633.240
245: 1937.502 + 732.562 = 2670.64
246: 1962.473 + 732.382 = 2694.855
247: 1958.80 + 741.995 = 2700.75
248: 1709.01 + 914.433 = 2623.435
249: 1913.988 + 707.177 = 2621.165
250: 1915.698 + 703.756 = 2619.455
251: 1919.117 + 708.858 = 2627.976
252: 1907.236 + 697.171 = 2604.407
253: 1901.401 + 724.967 = 2626.369
254: 1923.623 + 711.671 = 2635.294
255: 1934.442 + 681.872 = 2616.314
256: 1754.369 + 929.679 = 2684.48
257: 1961.377 + 729.160 = 2690.538
258: 1947.305 + 733.426 = 2680.732
259: 1955.780 + 728.383 = 2684.163
260: 1947.696 + 704.254 = 2651.950
261: 1955.411 + 714.910 = 2670.321
262: 1968.571 + 734.135 = 2702.707
263: 1963.260 + 741.962 = 2705.223
264: 1746.885 + 918.309 = 2665.194
265: 1947.777 + 724.94 = 2671.871
266: 1950.174 + 719.185 = 2669.359
267: 1957.756 + 724.332 = 2682.88
268: 1952.355 + 695.806 = 2648.162
269: 1950.697 + 728.807 = 2679.504
270: 1965.120 + 735.760 = 2700.881
271: 1971.38 + 731.443 = 2702.481
272: 1926.573 + 695.74 = 2621.648
273: 2049.809 + 566.105 = 2615.914
274: 2029.85 + 587.825 = 2616.910
275: 2039.975 + 567.299 = 2607.274
276: 1985.246 + 605.01 = 2590.247
277: 1978.111 + 634.982 = 2613.94
278: 2007.540 + 623.286 = 2630.826
279: 2037.65 + 586.852 = 2623.917
280: 1764.834 + 911.665 = 2676.500
281: 1956.757 + 718.511 = 2675.269
282: 1952.191 + 721.696 = 2673.888
283: 1967.37 + 691.284 = 2658.321
284: 1956.198 + 659.402 = 2615.601
285: 1945.223 + 727.270 = 2672.494
286: 1967.69 + 718.151 = 2685.220
287: 1969.858 + 724.664 = 2694.523
288: 1727.995 + 887.478 = 2615.473
289: 1925.868 + 689.594 = 2615.462
290: 1915.185 + 694.877 = 2610.63
291: 1916.802 + 694.993 = 2611.795
292: 1925.691 + 637.417 = 2563.109
293: 1927.594 + 616.787 = 2544.382
294: 1929.75 + 695.127 = 2624.202
295: 1933.263 + 691.490 = 2624.753
296: 1747.905 + 927.248 = 2675.153
297: 1947.77 + 729.959 = 2677.37
298: 1939.192 + 727.50 = 2666.243
299: 1936.547 + 722.828 = 2659.376
300: 1945.330 + 686.444 = 2631.774
301: 1936.240 + 733.694 = 2669.935
302: 1957.578 + 733.734 = 2691.313
303: 1958.827 + 734.680 = 2693.508
304: 1730.974 + 883.319 = 2614.294
305: 1931.850 + 682.449 = 2614.299
306: 1935.858 + 646.940 = 2582.799
307: 1925.528 + 684.218 = 2609.747
308: 1940.706 + 577.681 = 2518.387
309: 1916.926 + 693.175 = 2610.101
310: 1931.262 + 698.363 = 2629.626
311: 1939.880 + 688.759 = 2628.640
312: 1756.729 + 921.632 = 2678.362
313: 1964.159 + 724.811 = 2688.970
314: 1953.449 + 733.840 = 2687.289
315: 1965.105 + 708.811 = 2673.917
316: 1955.437 + 677.80 = 2632.518
317: 1949.301 + 732.762 = 2682.63
318: 1972.508 + 731.73 = 2703.581
319: 1978.631 + 730.254 = 2708.885
320: 1739.674 + 888.26 = 2627.700
321: 1931.875 + 700.77 = 2631.953
322: 1941.673 + 644.460 = 2586.134
323: 1934.156 + 700.53 = 2634.210
324: 1925.318 + 683.437 = 2608.755
325: 1931.508 + 677.310 = 2608.819
326: 1940.675 + 707.476 = 2648.152
327: 1944.325 + 706.120 = 2650.446
328: 1698.586 + 869.819 = 2568.405
329: 1909.870 + 659.271 = 2569.142
330: 1900.723 + 655.62 = 2555.785
331: 1897.915 + 663.453 = 2561.368
332: 1891.373 + 625.657 = 2517.30
333: 1880.708 + 683.176 = 2563.885
334: 1918.916 + 590.404 = 2509.321
335: 1910.891 + 676.433 = 2587.324
336: 1751.283 + 925.827 = 2677.111
337: 1958.244 + 719.430 = 2677.674
338: 1954.866 + 720.211 = 2675.78
339: 1958.609 + 718.645 = 2677.255
340: 1958.596 + 641.464 = 2600.60
341: 1942.724 + 736.141 = 2678.866
342: 1968.28 + 728.887 = 2696.916
343: 1966.658 + 730.79 = 2696.738
344: 1752.517 + 911.701 = 2664.218
345: 1957.10 + 707.397 = 2664.408
346: 1948.300 + 709.852 = 2658.153
347: 1950.840 + 712.216 = 2663.57
348: 1966.604 + 580.610 = 2547.214
349: 1947.353 + 713.296 = 2660.649
350: 1964.780 + 714.735 = 2679.516
351: 1966.956 + 715.605 = 2682.561
352: 1731.764 + 894.465 = 2626.229
353: 1929.136 + 698.429 = 2627.565
354: 1916.690 + 709.560 = 2626.251
355: 1920.312 + 708.123 = 2628.435
356: 1918.934 + 663.473 = 2582.407
357: 1926.981 + 653.989 = 2580.971
358: 1931.704 + 711.702 = 2643.406
359: 1935.576 + 707.973 = 2643.550
360: 1718.226 + 901.795 = 2620.21
361: 1917.187 + 702.844 = 2620.32
362: 1919.664 + 703.39 = 2622.703
363: 1926.56 + 697.17 = 2623.73
364: 1928.44 + 621.301 = 2549.345
365: 1911.921 + 709.309 = 2621.231
366: 1931.89 + 702.734 = 2633.823
367: 1936.68 + 706.717 = 2642.786
368: 1748.90 + 927.137 = 2675.227
369: 1934.749 + 740.06 = 2674.755
370: 1938.501 + 729.513 = 2668.15
371: 1945.42 + 726.863 = 2671.905
372: 1933.531 + 723.856 = 2657.387
373: 1932.375 + 710.545 = 2642.920
374: 1952.187 + 733.438 = 2685.625
375: 1949.208 + 740.131 = 2689.339
376: 1750.07 + 930.342 = 2680.349
377: 1962.733 + 723.614 = 2686.347
378: 1954.640 + 720.666 = 2675.306
379: 1949.318 + 736.605 = 2685.924
380: 1951.862 + 697.728 = 2649.591
381: 1950.585 + 724.987 = 2675.572
382: 1956.425 + 738.324 = 2694.749
383: 1967.869 + 729.139 = 2697.09
384: 1725.965 + 857.825 = 2583.790
385: 1952.188 + 561.136 = 2513.324
386: 1924.46 + 660.388 = 2584.434
387: 1927.252 + 650.264 = 2577.516
388: 1929.645 + 566.775 = 2496.421
389: 1908.632 + 676.228 = 2584.861
390: 1927.206 + 672.766 = 2599.972
391: 1931.86 + 668.175 = 2599.261
392: 1722.230 + 907.591 = 2629.821
393: 1931.880 + 699.779 = 2631.660
394: 1926.783 + 685.644 = 2612.427
395: 1918.879 + 709.131 = 2628.11
396: 1920.391 + 656.581 = 2576.973
397: 1901.808 + 717.362 = 2619.170
398: 1926.111 + 715.895 = 2642.06
399: 1935.670 + 708.362 = 2644.33
400: 1750.676 + 927.249 = 2677.926
401: 1947.891 + 726.734 = 2674.625
402: 1953.395 + 704.541 = 2657.937
403: 1952.649 + 721.997 = 2674.647
404: 1947.19 + 673.711 = 2620.730
405: 1937.847 + 736.95 = 2673.942
406: 1962.423 + 730.632 = 2693.56
407: 1966.202 + 728.927 = 2695.129
408: 1744.332 + 934.48 = 2678.380
409: 1952.558 + 726.333 = 2678.892
410: 1947.676 + 727.143 = 2674.819
411: 1943.938 + 714.848 = 2658.786
412: 1942.805 + 703.974 = 2646.780
413: 1941.819 + 733.694 = 2675.514
414: 1967.161 + 731.153 = 2698.315
415: 1961.346 + 738.721 = 2700.67
416: 1750.322 + 929.506 = 2679.828
417: 1946.671 + 732.497 = 2679.168
418: 1945.662 + 724.625 = 2670.287
419: 1946.741 + 729.145 = 2675.886
420: 1942.198 + 706.715 = 2648.914
421: 1937.499 + 729.917 = 2667.417
422: 1955.983 + 737.729 = 2693.712
423: 1964.142 + 734.991 = 2699.134
424: 1699.403 + 865.146 = 2564.550
425: 1903.734 + 659.988 = 2563.723
426: 1911.12 + 604.15 = 2515.27
427: 1895.667 + 665.571 = 2561.239
428: 1887.795 + 657.535 = 2545.330
429: 1880.383 + 685.529 = 2565.912
430: 1921.624 + 587.407 = 2509.31
431: 1907.975 + 672.902 = 2580.877
432: 1726.123 + 858.657 = 2584.780
433: 1929.27 + 658.225 = 2587.253
434: 1921.723 + 653.924 = 2575.647
435: 1916.101 + 661.753 = 2577.855
436: 1926.329 + 553.627 = 2479.957
437: 1916.860 + 643.357 = 2560.217
438: 1918.929 + 672.191 = 2591.121
439: 1918.962 + 679.486 = 2598.449
440: 1738.112 + 876.474 = 2614.587
441: 1939.519 + 677.929 = 2617.448
442: 1929.605 + 681.95 = 2610.701
443: 1933.619 + 677.36 = 2610.656
444: 1943.181 + 575.778 = 2518.960
445: 1934.685 + 626.992 = 2561.677
446: 1940.951 + 689.230 = 2630.181
447: 1940.917 + 685.961 = 2626.878
448: 1768.605 + 903.736 = 2672.341
449: 1962.638 + 718.52 = 2680.691
450: 1960.423 + 711.503 = 2671.926
451: 1964.376 + 709.324 = 2673.700
452: 1968.468 + 594.578 = 2563.46
453: 1953.686 + 720.545 = 2674.232
454: 1966.712 + 721.75 = 2687.787
455: 1976.916 + 714.486 = 2691.402
456: 1757.527 + 926.330 = 2683.858
457: 1961.217 + 729.311 = 2690.528
458: 1958.143 + 733.125 = 2691.268
459: 1970.237 + 705.392 = 2675.629
460: 1962.65 + 687.576 = 2649.641
461: 1956.406 + 727.493 = 2683.899
462: 1977.375 + 731.350 = 2708.725
463: 1977.391 + 726.241 = 2703.632
464: 1721.515 + 910.480 = 2631.996
465: 1922.508 + 706.745 = 2629.253
466: 1929.923 + 626.600 = 2556.524
467: 1922.367 + 704.08 = 2626.375
468: 1910.158 + 685.931 = 2596.90
469: 1903.358 + 720.805 = 2624.164
470: 1923.961 + 710.236 = 2634.197
471: 1925.469 + 708.781 = 2634.251
472: 1705.856 + 863.715 = 2569.571
473: 1906.753 + 659.828 = 2566.582
474: 1906.752 + 654.809 = 2561.561
475: 1900.18 + 655.83 = 2555.102
476: 1924.00 + 504.955 = 2428.956
477: 1894.612 + 677.381 = 2571.994
478: 1912.694 + 673.916 = 2586.611
479: 1915.184 + 675.349 = 2590.533
480: 1753.401 + 926.493 = 2679.895
481: 1962.745 + 727.684 = 2690.430
482: 1959.314 + 722.622 = 2681.937
483: 1962.26 + 720.576 = 2682.603
484: 1959.221 + 679.101 = 2638.322
485: 1951.44 + 730.285 = 2681.330
486: 1967.195 + 733.137 = 2700.332
487: 1970.761 + 729.371 = 2700.132
488: 1756.236 + 917.185 = 2673.422
489: 1946.694 + 729.914 = 2676.608
490: 1947.364 + 693.786 = 2641.151
491: 1940.966 + 729.813 = 2670.779
492: 1941.450 + 700.552 = 2642.03
493: 1930.974 + 740.434 = 2671.408
494: 1961.376 + 729.938 = 2691.314
495: 1964.152 + 731.814 = 2695.967
496: 1587.555 + 729.681 = 2317.237
497: 1747.815 + 564.379 = 2312.194
498: 1722.881 + 577.565 = 2300.446
499: 1733.498 + 571.509 = 2305.08
500: 1762.856 + 477.738 = 2240.594
501: 1759.257 + 546.440 = 2305.698
502: 1740.711 + 560.35 = 2300.746
503: 1732.247 + 586.44 = 2318.292
504: 1750.662 + 929.835 = 2680.498
505: 1946.723 + 737.644 = 2684.368
506: 1946.416 + 727.424 = 2673.840
507: 1943.490 + 739.260 = 2682.751
508: 1947.428 + 685.132 = 2632.561
509: 1942.641 + 730.246 = 2672.887
510: 1960.714 + 737.809 = 2698.524
511: 1964.308 + 733.173 = 2697.482
512: 1724.214 + 909.496 = 2633.711
513: 1925.52 + 710.226 = 2635.279
514: 1921.351 + 700.232 = 2621.584
515: 1915.562 + 715.91 = 2630.654
516: 1919.130 + 686.611 = 2605.742
517: 1912.79 + 717.710 = 2629.790
518: 1937.337 + 696.16 = 2633.354
519: 1940.750 + 708.810 = 2649.561
520: 1749.70 + 925.220 = 2674.291
521: 1948.24 + 728.417 = 2676.441
522: 1943.712 + 729.437 = 2673.150
523: 1949.451 + 712.220 = 2661.672
524: 1945.803 + 702.792 = 2648.595
525: 1951.47 + 703.864 = 2654.912
526: 1959.958 + 732.686 = 2692.645
527: 1961.790 + 732.870 = 2694.661
528: 1697.129 + 892.809 = 2589.939
529: 1903.729 + 685.672 = 2589.402
530: 1896.712 + 686.356 = 2583.68
531: 1889.853 + 692.37 = 2581.891
532: 1876.367 + 614.913 = 2491.280
533: 1883.292 + 692.477 = 2575.770
534: 1900.724 + 700.695 = 2601.419
535: 1907.105 + 698.434 = 2605.539
536: 1734.963 + 897.226 = 2632.190
537: 1945.117 + 644.872 = 2589.989
538: 1922.140 + 701.396 = 2623.537
539: 1923.648 + 700.509 = 2624.158
540: 1926.533 + 672.946 = 2599.479
541: 1914.397 + 700.940 = 2615.337
542: 1935.868 + 709.979 = 2645.848
543: 1943.744 + 702.772 = 2646.517
544: 1754.71 + 928.503 = 2682.574
545: 1951.877 + 735.488 = 2687.366
546: 1955.213 + 707.793 = 2663.07
547: 1952.563 + 730.153 = 2682.717
548: 1949.554 + 697.488 = 2647.42
549: 1942.703 + 739.538 = 2682.241
550: 1966.368 + 732.445 = 2698.814
551: 1960.36 + 736.872 = 2696.909
552: 1887.135 + 587.25 = 2474.161
553: 1994.526 + 447.45 = 2441.571
554: 1948.678 + 519.242 = 2467.920
555: 1974.307 + 496.982 = 2471.289
556: 1955.185 + 489.637 = 2444.822
557: 1910.242 + 559.249 = 2469.492
558: 1915.544 + 562.740 = 2478.285
559: 1962.967 + 521.788 = 2484.755
560: 1721.639 + 911.597 = 2633.236
561: 1932.771 + 704.767 = 2637.539
562: 1922.516 + 711.753 = 2634.269
563: 1930.279 + 680.661 = 2610.940
564: 1917.913 + 697.890 = 2615.804
565: 1910.433 + 723.91 = 2633.525
566: 1937.689 + 719.149 = 2656.839
567: 1917.598 + 741.896 = 2659.495
568: 1764.907 + 902.881 = 2667.789
569: 1951.370 + 713.241 = 2664.611
570: 1959.966 + 680.628 = 2640.594
571: 1958.257 + 705.133 = 2663.391
572: 1963.459 + 596.325 = 2559.785
573: 1951.255 + 715.785 = 2667.41
574: 1970.454 + 712.808 = 2683.262
575: 1971.580 + 713.227 = 2684.807
576: 1743.372 + 931.93 = 2674.466
577: 1942.586 + 734.420 = 2677.07
578: 1938.890 + 733.492 = 2672.383
579: 1939.612 + 736.603 = 2676.215
580: 1946.608 + 671.542 = 2618.150
581: 1931.933 + 731.958 = 2663.891
582: 1957.749 + 732.626 = 2690.376
583: 1955.227 + 737.772 = 2693.00
584: 1697.798 + 870.770 = 2568.569
585: 1902.406 + 663.116 = 2565.522
586: 1902.111 + 650.357 = 2552.469
587: 1890.72 + 671.604 = 2561.676
588: 1899.941 + 597.970 = 2497.911
589: 1883.636 + 682.762 = 2566.398
590: 1905.869 + 681.459 = 2587.328
591: 1913.251 + 677.833 = 2591.84
592: 1751.517 + 925.232 = 2676.749
593: 1950.465 + 726.382 = 2676.847
594: 1946.698 + 697.409 = 2644.107
595: 1942.535 + 730.165 = 2672.700
596: 1936.697 + 712.100 = 2648.797
597: 1928.334 + 739.850 = 2668.184
598: 1957.430 + 734.343 = 2691.773
599: 1961.680 + 733.853 = 2695.533
600: 1734.104 + 888.793 = 2622.897
601: 1926.842 + 685.675 = 2612.518
602: 1924.647 + 679.377 = 2604.24
603: 1924.933 + 685.666 = 2610.600
604: 1940.522 + 547.886 = 2488.409
605: 1908.37 + 703.982 = 2612.20
606: 1934.490 + 691.836 = 2626.327
607: 1941.137 + 686.931 = 2628.68
608: 1759.320 + 916.889 = 2676.209
609: 1962.00 + 719.263 = 2681.263
610: 1949.470 + 724.900 = 2674.371
611: 1962.526 + 705.611 = 2668.137
612: 1965.882 + 621.818 = 2587.700
613: 1947.391 + 723.257 = 2670.649
614: 1967.434 + 722.513 = 2689.947
615: 1971.618 + 723.503 = 2695.122
616: 1758.183 + 922.696 = 2680.880
617: 1953.08 + 726.52 = 2679.61
618: 1940.329 + 732.317 = 2672.646
619: 1944.319 + 733.225 = 2677.544
620: 1943.928 + 696.795 = 2640.723
621: 1937.12 + 730.593 = 2667.605
622: 1964.742 + 732.180 = 2696.923
623: 1960.166 + 738.335 = 2698.502
624: 1756.319 + 920.628 = 2676.948
625: 1954.535 + 723.957 = 2678.493
626: 1942.741 + 727.206 = 2669.947
627: 1941.982 + 730.641 = 2672.623
628: 1960.238 + 624.232 = 2584.471
629: 1943.433 + 723.15 = 2666.448
630: 1966.420 + 727.446 = 2693.867
631: 1964.629 + 731.73 = 2695.703
632: 1705.231 + 856.670 = 2561.902
633: 1916.597 + 653.664 = 2570.262
634: 1910.776 + 644.668 = 2555.444
635: 1898.634 + 665.72 = 2563.707
636: 1911.528 + 535.10 = 2446.539
637: 1890.371 + 679.347 = 2569.719
638: 1908.133 + 673.10 = 2581.143
639: 1909.371 + 644.210 = 2553.581
640: 1736.31 + 900.465 = 2636.497
641: 1932.682 + 695.467 = 2628.149
642: 1926.567 + 696.857 = 2623.425
643: 1937.697 + 650.154 = 2587.851
644: 1925.917 + 660.307 = 2586.225
645: 1915.293 + 709.567 = 2624.860
646: 1936.454 + 699.928 = 2636.382
647: 1935.762 + 699.349 = 2635.112
648: 1719.889 + 904.952 = 2624.842
649: 1922.223 + 706.580 = 2628.803
650: 1917.606 + 706.172 = 2623.778
651: 1925.812 + 688.918 = 2614.731
652: 1914.695 + 662.150 = 2576.846
653: 1909.424 + 716.43 = 2625.468
654: 1936.790 + 677.628 = 2614.419
655: 1933.198 + 708.879 = 2642.78
656: 1741.439 + 892.403 = 2633.843
657: 1929.562 + 696.705 = 2626.267
658: 1927.487 + 687.930 = 2615.417
659: 1931.959 + 692.199 = 2624.159
660: 1924.732 + 672.831 = 2597.564
661: 1928.671 + 637.285 = 2565.957
662: 1934.290 + 704.363 = 2638.653
663: 1940.377 + 700.334 = 2640.711
664: 1772.494 + 890.493 = 2662.987
665: 1955.736 + 718.730 = 2674.466
666: 1951.152 + 719.77 = 2670.229
667: 1948.835 + 720.583 = 2669.418
668: 1963.584 + 609.565 = 2573.149
669: 1944.228 + 721.346 = 2665.574
670: 1968.456 + 719.433 = 2687.890
671: 1963.351 + 726.158 = 2689.510
672: 1779.756 + 900.947 = 2680.703
673: 1960.422 + 719.338 = 2679.761
674: 1954.123 + 707.816 = 2661.939
675: 1954.76 + 719.831 = 2673.907
676: 1962.423 + 625.511 = 2587.935
677: 1943.391 + 726.160 = 2669.551
678: 1966.48 + 725.174 = 2691.222
679: 1965.614 + 724.965 = 2690.579
680: 1724.480 + 895.133 = 2619.614
681: 1932.810 + 678.880 = 2611.690
682: 1926.847 + 655.817 = 2582.665
683: 1917.855 + 698.697 = 2616.553
684: 1921.256 + 641.122 = 2562.379
685: 1907.418 + 709.659 = 2617.78
686: 1921.342 + 708.849 = 2630.192
687: 1931.475 + 700.598 = 2632.73
688: 1751.594 + 923.697 = 2675.292
689: 1953.708 + 710.858 = 2664.567
690: 1937.759 + 731.97 = 2668.857
691: 1940.275 + 729.801 = 2670.76
692: 1938.711 + 688.321 = 2627.33
693: 1935.86 + 721.448 = 2656.535
694: 1952.456 + 732.815 = 2685.271
695: 1958.156 + 727.929 = 2686.86
696: 1707.270 + 874.391 = 2581.662
697: 1900.704 + 670.118 = 2570.823
698: 1913.940 + 571.532 = 2485.473
699: 1888.959 + 676.486 = 2565.445
700: 1887.290 + 630.933 = 2518.223
701: 1882.51 + 678.29 = 2560.81
702: 1896.539 + 684.500 = 2581.40
703: 1903.548 + 682.991 = 2586.540
704: 1751.700 + 923.483 = 2675.183
705: 1958.408 + 725.356 = 2683.765
706: 1949.862 + 728.911 = 2678.774
707: 1953.303 + 724.349 = 2677.652
708: 1960.10 + 633.563 = 2593.573
709: 1940.810 + 733.543 = 2674.353
710: 1962.57 + 732.165 = 2694.223
711: 1971.849 + 731.539 = 2703.389
712: 1728.196 + 906.647 = 2634.843
713: 1939.102 + 659.993 = 2599.95
714: 1910.718 + 712.179 = 2622.898
715: 1912.08 + 712.482 = 2624.490
716: 1907.809 + 698.177 = 2605.987
717: 1905.980 + 721.11 = 2626.992
718: 1924.705 + 716.881 = 2641.586
719: 1933.96 + 708.751 = 2641.847
720: 1714.21 + 876.634 = 2590.655
721: 1935.652 + 593.164 = 2528.816
722: 1915.241 + 674.273 = 2589.515
723: 1910.157 + 674.267 = 2584.425
724: 1914.279 + 618.569 = 2532.849
725: 1905.560 + 666.846 = 2572.406
726: 1924.517 + 684.792 = 2609.310
727: 1925.247 + 683.999 = 2609.246
728: 1744.906 + 930.632 = 2675.539
729: 1952.276 + 719.733 = 2672.09
730: 1943.11 + 720.453 = 2663.465
731: 1943.540 + 731.318 = 2674.858
732: 1942.136 + 688.611 = 2630.748
733: 1933.162 + 734.920 = 2668.83
734: 1955.208 + 734.964 = 2690.172
735: 1958.613 + 734.931 = 2693.545
736: 1726.139 + 911.250 = 2637.389
737: 1923.641 + 710.197 = 2633.839
738: 1918.164 + 710.863 = 2629.27
739: 1924.667 + 705.636 = 2630.304
740: 1919.914 + 674.270 = 2594.184
741: 1911.338 + 706.70 = 2617.409
742: 1928.464 + 718.358 = 2646.822
743: 1939.51 + 699.662 = 2638.713
744: 1705.404 + 877.527 = 2582.931
745: 1903.464 + 684.267 = 2587.732
746: 1895.272 + 681.362 = 2576.634
747: 1903.516 + 642.840 = 2546.356
748: 1882.272 + 685.360 = 2567.633
749: 1885.678 + 684.443 = 2570.122
750: 1902.680 + 693.339 = 2596.19
751: 1913.721 + 690.912 = 2604.634
752: 1705.979 + 903.76 = 2609.55
753: 1915.230 + 697.513 = 2612.743
754: 1920.243 + 693.388 = 2613.631
755: 1920.864 + 696.28 = 2616.892
756: 1913.195 + 675.743 = 2588.939
757: 1905.407 + 701.673 = 2607.81
758: 1925.48 + 710.28 = 2635.77
759: 1933.815 + 704.915 = 2638.730
760: 1758.864 + 922.94 = 2680.958
761: 1950.02 + 724.50 = 2674.53
762: 1942.296 + 723.650 = 2665.946
763: 1938.358 + 730.709 = 2669.68
764: 1948.584 + 663.627 = 2612.212
765: 1941.863 + 711.812 = 2653.676
766: 1955.388 + 730.595 = 2685.983
767: 1965.298 + 727.115 = 2692.413
768: 1749.450 + 922.590 = 2672.40
769: 1958.189 + 724.221 = 2682.411
770: 1962.337 + 676.137 = 2638.474
771: 1956.326 + 722.816 = 2679.142
772: 1951.102 + 702.180 = 2653.282
773: 1948.281 + 725.935 = 2674.216
774: 1964.679 + 732.188 = 2696.868
775: 1970.551 + 727.718 = 2698.269
776: 1751.325 + 927.803 = 2679.129
777: 1961.127 + 729.779 = 2690.907
778: 1951.68 + 733.807 = 2684.875
779: 1957.141 + 714.302 = 2671.443
780: 1949.627 + 707.591 = 2657.218
781: 1949.811 + 731.263 = 2681.75
782: 1966.464 + 736.669 = 2703.133
783: 1968.903 + 730.548 = 2699.452
784: 1720.915 + 908.770 = 2629.686
785: 1925.552 + 703.607 = 2629.160
786: 1911.878 + 713.50 = 2624.929
787: 1915.326 + 715.179 = 2630.505
788: 1912.449 + 699.222 = 2611.671
789: 1914.262 + 686.629 = 2600.891
790: 1925.777 + 716.130 = 2641.907
791: 1935.103 + 698.833 = 2633.937
792: 1733.82 + 893.378 = 2626.461
793: 1938.55 + 692.579 = 2630.634
794: 1933.128 + 693.457 = 2626.585
795: 1946.476 + 646.715 = 2593.191
796: 1939.972 + 639.687 = 2579.660
797: 1918.326 + 707.863 = 2626.190
798: 1951.508 + 678.328 = 2629.836
799: 1943.725 + 694.739 = 2638.464
800: 1728.112 + 899.56 = 2627.169
801: 1920.25 + 705.62 = 2625.88
802: 1924.748 + 676.916 = 2601.664
803: 1920.00 + 705.139 = 2625.139
804: 1914.902 + 681.633 = 2596.535
805: 1916.333 + 697.908 = 2614.241
806: 1932.735 + 709.347 = 2642.83
807: 1935.330 + 710.340 = 2645.671
808: 1726.438 + 893.933 = 2620.372
809: 1919.140 + 697.906 = 2617.46
810: 1916.888 + 697.931 = 2614.819
811: 1930.53 + 633.843 = 2563.897
812: 1926.458 + 640.956 = 2567.415
813: 1910.390 + 700.326 = 2610.716
814: 1930.166 + 702.363 = 2632.529
815: 1935.300 + 697.124 = 2632.424
816: 1745.519 + 931.698 = 2677.217
817: 1945.518 + 730.541 = 2676.59
818: 1940.831 + 735.723 = 2676.554
819: 1946.672 + 723.871 = 2670.544
820: 1944.93 + 693.872 = 2637.965
821: 1939.514 + 733.971 = 2673.485
822: 1958.917 + 733.178 = 2692.96
823: 1961.769 + 737.84 = 2698.854
824: 1740.850 + 920.672 = 2661.523
825: 1940.776 + 725.154 = 2665.931
826: 1936.983 + 726.749 = 2663.732
827: 1940.339 + 725.64 = 2665.403
828: 1940.252 + 665.809 = 2606.61
829: 1929.236 + 727.433 = 2656.670
830: 1950.914 + 721.437 = 2672.352
831: 1952.66 + 732.972 = 2685.39
832: 1730.404 + 895.935 = 2626.339
833: 1931.412 + 693.548 = 2624.960
834: 1928.404 + 669.77 = 2597.481
835: 1920.45 + 705.796 = 2625.841
836: 1916.797 + 671.699 = 2588.497
837: 1905.621 + 717.366 = 2622.988
838: 1933.39 + 705.810 = 2638.850
839: 1940.317 + 706.416 = 2646.733
840: 1709.989 + 877.805 = 2587.794
841: 1914.94 + 672.494 = 2586.588
842: 1910.18 + 641.703 = 2551.722
843: 1900.545 + 681.420 = 2581.965
844: 1891.710 + 679.83 = 2570.793
845: 1894.788 + 682.121 = 2576.910
846: 1916.815 + 679.67 = 2595.883
847: 1919.546 + 666.728 = 2586.274
848: 1751.976 + 919.908 = 2671.884
849: 1946.712 + 728.300 = 2675.13
850: 1946.937 + 718.164 = 2665.102
851: 1946.625 + 721.892 = 2668.517
852: 1938.91 + 705.680 = 2643.771
853: 1932.997 + 736.550 = 2669.547
854: 1961.441 + 695.12 = 2656.454
855: 1958.310 + 730.811 = 2689.121
856: 1724.648 + 891.315 = 2615.963
857: 1933.261 + 663.771 = 2597.32
858: 1917.379 + 691.103 = 2608.483
859: 1922.277 + 690.341 = 2612.619
860: 1914.539 + 682.436 = 2596.975
861: 1911.671 + 690.01 = 2601.673
862: 1930.675 + 665.978 = 2596.654
863: 1929.900 + 698.877 = 2628.777
864: 1755.476 + 924.323 = 2679.799
865: 1960.717 + 718.121 = 2678.838
866: 1951.550 + 724.322 = 2675.873
867: 1954.459 + 728.432 = 2682.891
868: 1955.65 + 644.362 = 2599.427
869: 1945.549 + 731.16 = 2676.565
870: 1965.676 + 729.292 = 2694.968
871: 1975.832 + 726.534 = 2702.367
872: 1746.359 + 931.124 = 2677.484
873: 1945.142 + 731.974 = 2677.116
874: 1942.719 + 729.770 = 2672.489
875: 1943.90 + 726.658 = 2669.748
876: 1940.317 + 704.919 = 2645.236
877: 1941.727 + 714.308 = 2656.35
878: 1952.489 + 738.760 = 2691.249
879: 1955.890 + 739.592 = 2695.482
880: 1610.770 + 775.937 = 2386.708
881: 1784.717 + 603.795 = 2388.513
882: 1759.956 + 621.124 = 2381.80
883: 1796.280 + 575.948 = 2372.229
884: 1796.78 + 569.952 = 2366.31
885: 1787.903 + 593.313 = 2381.216
886: 1772.514 + 624.528 = 2397.43
887: 1780.736 + 587.424 = 2368.161
888: 1728.781 + 888.07 = 2616.789
889: 1926.122 + 688.69 = 2614.192
890: 1920.192 + 688.113 = 2608.306
891: 1924.813 + 684.930 = 2609.744
892: 1945.206 + 514.457 = 2459.664
893: 1914.327 + 692.637 = 2606.964
894: 1929.160 + 695.416 = 2624.577
895: 1937.361 + 681.313 = 2618.675
896: 1720.166 + 908.217 = 2628.384
897: 1916.654 + 712.990 = 2629.645
898: 1914.434 + 709.601 = 2624.36
899: 1916.115 + 708.833 = 2624.948
900: 1908.475 + 695.66 = 2603.541
901: 1904.633 + 714.140 = 2618.773
902: 1930.75 + 707.371 = 2637.446
903: 1941.532 + 670.338 = 2611.871
904: 1623.49 + 766.649 = 2389.699
905: 1796.802 + 569.949 = 2366.752
906: 1752.823 + 622.162 = 2374.985
907: 1771.26 + 609.918 = 2380.944
908: 1810.223 + 499.782 = 2310.06
909: 1798.650 + 581.428 = 2380.78
910: 1791.76 + 600.809 = 2391.886
911: 1791.548 + 592.983 = 2384.532
912: 1726.160 + 905.828 = 2631.988
913: 1925.348 + 710.892 = 2636.241
914: 1935.763 + 650.678 = 2586.441
915: 1923.201 + 714.451 = 2637.652
916: 1917.404 + 697.456 = 2614.861
917: 1914.604 + 720.879 = 2635.483
918: 1940.15 + 712.514 = 2652.529
919: 1945.104 + 711.583 = 2656.687
920: 1752.91 + 925.911 = 2678.02
921: 1953.735 + 724.929 = 2678.665
922: 1939.137 + 728.251 = 2667.388
923: 1937.198 + 734.103 = 2671.301
924: 1954.915 + 654.583 = 2609.499
925: 1945.459 + 714.129 = 2659.589
926: 1964.458 + 730.145 = 2694.603
927: 1965.992 + 729.300 = 2695.293
928: 1755.480 + 914.212 = 2669.693
929: 1954.809 + 715.600 = 2670.409
930: 1949.955 + 716.469 = 2666.425
931: 1958.751 + 698.912 = 2657.664
932: 1963.955 + 621.23 = 2584.978
933: 1944.232 + 721.453 = 2665.686
934: 1962.251 + 717.476 = 2679.728
935: 1967.561 + 719.434 = 2686.995
936: 1751.107 + 929.90 = 2680.197
937: 1957.338 + 731.997 = 2689.335
938: 1948.685 + 734.948 = 2683.633
939: 1945.221 + 742.773 = 2687.994
940: 1950.207 + 699.190 = 2649.398
941: 1948.853 + 720.883 = 2669.736
942: 1967.948 + 737.642 = 2705.591
943: 1971.236 + 739.520 = 2710.756
944: 1728.349 + 895.625 = 2623.974
945: 1927.951 + 696.945 = 2624.897
946: 1932.422 + 681.708 = 2614.131
947: 1930.404 + 695.683 = 2626.87
948: 1938.239 + 593.844 = 2532.83
949: 1920.891 + 704.711 = 2625.602
950: 1943.552 + 694.458 = 2638.11
951: 1944.648 + 702.873 = 2647.521
952: 1711.13 + 877.994 = 2589.07
953: 1910.415 + 678.660 = 2589.76
954: 1908.847 + 670.729 = 2579.577
955: 1917.201 + 652.581 = 2569.782
956: 1933.674 + 500.664 = 2434.338
957: 1895.24 + 682.148 = 2577.172
958: 1910.66 + 688.882 = 2598.949
959: 1920.919 + 679.815 = 2600.735
960: 1748.662 + 912.578 = 2661.240
961: 1940.994 + 720.333 = 2661.327
962: 1940.892 + 718.712 = 2659.605
963: 1942.704 + 716.313 = 2659.17
964: 1961.665 + 590.761 = 2552.427
965: 1932.674 + 719.867 = 2652.542
966: 1959.569 + 714.367 = 2673.937
967: 1957.83 + 722.624 = 2679.707
968: 1754.711 + 922.632 = 2677.344
969: 1939.984 + 729.821 = 2669.806
970: 1943.429 + 728.524 = 2671.954
971: 1950.522 + 707.955 = 2658.477
972: 1938.70 + 690.271 = 2628.341
973: 1929.651 + 740.566 = 2670.217
974: 1956.690 + 731.440 = 2688.130
975: 1933.80 + 761.97 = 2694.177
976: 1747.464 + 927.774 = 2675.239
977: 1936.312 + 740.297 = 2676.609
978: 1940.118 + 734.342 = 2674.460
979: 1943.741 + 731.143 = 2674.884
980: 1939.448 + 717.46 = 2656.495
981: 1941.164 + 708.760 = 2649.925
982: 1957.593 + 738.922 = 2696.516
983: 1964.188 + 736.120 = 2700.309
984: 1711.582 + 901.668 = 2613.251
985: 1918.773 + 704.146 = 2622.920
986: 1913.866 + 700.859 = 2614.725
987: 1917.381 + 693.599 = 2610.980
988: 1917.711 + 655.888 = 2573.600
989: 1907.95 + 702.306 = 2609.402
990: 1921.183 + 715.984 = 2637.167
991: 1926.976 + 704.307 = 2631.283
992: 1713.215 + 905.663 = 2618.878
993: 1914.333 + 706.428 = 2620.762
994: 1914.430 + 708.301 = 2622.732
995: 1929.367 + 660.965 = 2590.332
996: 1909.287 + 690.257 = 2599.545
997: 1912.732 + 706.872 = 2619.604
998: 1931.882 + 694.339 = 2626.222
999: 1930.463 + 707.719 = 2638.182
1000: 1725.917 + 898.487 = 2624.404
1001: 1921.760 + 701.232 = 2622.992
1002: 1924.13 + 667.210 = 2591.223
1003: 1922.505 + 701.125 = 2623.630
1004: 1919.10 + 661.205 = 2580.216
1005: 1911.26 + 710.669 = 2621.695
1006: 1931.599 + 707.58 = 2638.658
1007: 1935.269 + 700.359 = 2635.628
1008: 1749.781 + 924.402 = 2674.184
1009: 1950.301 + 731.738 = 2682.39
1010: 1953.285 + 715.625 = 2668.910
1011: 1963.133 + 715.246 = 2678.380
1012: 1949.991 + 697.15 = 2647.07
1013: 1946.16 + 717.979 = 2663.996
1014: 1963.263 + 734.76 = 2697.340
1015: 1966.713 + 735.38 = 2701.752
1016: 1761.757 + 925.944 = 2687.702
1017: 1960.618 + 722.423 = 2683.41
1018: 1948.559 + 733.565 = 2682.124
1019: 1951.112 + 728.954 = 2680.66
1020: 1948.147 + 691.344 = 2639.491
1021: 1945.761 + 730.913 = 2676.675
1022: 1962.916 + 737.997 = 2700.913
1023: 1967.927 + 731.806 = 2699.734
1024: 739.289 + 1033.81 = 1772.371
1025: 750.405 + 1021.962 = 1772.368
1026: 734.669 + 1037.696 = 1772.366
1027: 733.537 + 1038.856 = 1772.394
1028: 735.221 + 1037.150 = 1772.371
1029: 737.816 + 1034.554 = 1772.371
1030: 725.82 + 1047.284 = 1772.367
1031: 739.08 + 1033.467 = 1772.475
1032: 734.74 + 1037.839 = 1771.913
1033: 737.203 + 1034.801 = 1772.05
1034: 746.724 + 1025.181 = 1771.906
1035: 735.176 + 1036.739 = 1771.915
1036: 735.991 + 1035.944 = 1771.935
1037: 735.575 + 1036.369 = 1771.945
1038: 732.371 + 1039.559 = 1771.931
1039: 727.632 + 1044.294 = 1771.927
1040: 732.986 + 1038.544 = 1771.531
1041: 733.433 + 1038.124 = 1771.558
1042: 709.67 + 1062.463 = 1771.530
1043: 736.668 + 1034.873 = 1771.541
1044: 733.697 + 1037.857 = 1771.555
1045: 729.549 + 1041.985 = 1771.535
1046: 734.40 + 1037.517 = 1771.558
1047: 738.476 + 1033.78 = 1771.555
1048: 735.363 + 1036.90 = 1771.453
1049: 731.816 + 1039.663 = 1771.479
1050: 737.787 + 1033.674 = 1771.462
1051: 732.761 + 1038.692 = 1771.453
1052: 741.876 + 1029.561 = 1771.437
1053: 740.616 + 1030.843 = 1771.459
1054: 727.82 + 1044.392 = 1771.474
1055: 739.94 + 1032.365 = 1771.459
1056: 731.346 + 1040.571 = 1771.918
1057: 733.503 + 1038.332 = 1771.836
1058: 735.553 + 1036.276 = 1771.830
1059: 705.974 + 1065.837 = 1771.811
1060: 736.27 + 1035.795 = 1771.823
1061: 728.260 + 1043.550 = 1771.811
1062: 741.825 + 1030.05 = 1771.831
1063: 734.119 + 1037.675 = 1771.794
1064: 735.221 + 1036.759 = 1771.981
1065: 735.656 + 1036.327 = 1771.984
1066: 739.205 + 1032.755 = 1771.961
1067: 731.228 + 1040.757 = 1771.986
1068: 735.170 + 1036.793 = 1771.964
1069: 733.554 + 1038.428 = 1771.982
1070: 739.340 + 1032.770 = 1772.111
1071: 731.416 + 1040.574 = 1771.991
1072: 722.610 + 1048.923 = 1771.533
1073: 738.27 + 1033.515 = 1771.543
1074: 732.122 + 1039.393 = 1771.516
1075: 730.710 + 1040.859 = 1771.570
1076: 720.453 + 1051.64 = 1771.517
1077: 733.979 + 1037.544 = 1771.523
1078: 733.301 + 1038.263 = 1771.565
1079: 738.247 + 1033.286 = 1771.534
1080: 730.232 + 1041.378 = 1771.611
1081: 732.573 + 1038.965 = 1771.539
1082: 735.137 + 1036.416 = 1771.553
1083: 734.559 + 1037.12 = 1771.571
1084: 731.178 + 1040.382 = 1771.561
1085: 720.672 + 1050.898 = 1771.570
1086: 736.893 + 1034.625 = 1771.518
1087: 732.976 + 1038.594 = 1771.570
1088: 733.833 + 1037.663 = 1771.497
1089: 738.902 + 1032.584 = 1771.486
1090: 734.562 + 1036.917 = 1771.479
1091: 734.561 + 1036.907 = 1771.468
1092: 731.620 + 1039.859 = 1771.479
1093: 728.856 + 1042.649 = 1771.506
1094: 733.114 + 1038.382 = 1771.497
1095: 750.587 + 1020.951 = 1771.538
1096: 736.164 + 1035.348 = 1771.512
1097: 733.96 + 1038.470 = 1771.567
1098: 732.340 + 1039.184 = 1771.525
1099: 747.138 + 1024.375 = 1771.513
1100: 725.126 + 1046.373 = 1771.499
1101: 733.792 + 1037.727 = 1771.519
1102: 735.937 + 1035.592 = 1771.529
1103: 746.762 + 1024.752 = 1771.514
1104: 734.99 + 1037.320 = 1771.420
1105: 745.517 + 1025.889 = 1771.406
1106: 730.84 + 1041.329 = 1771.413
1107: 737.636 + 1033.770 = 1771.406
1108: 739.311 + 1032.74 = 1771.385
1109: 741.101 + 1030.270 = 1771.372
1110: 743.499 + 1027.913 = 1771.413
1111: 746.242 + 1025.154 = 1771.396
1112: 733.587 + 1037.726 = 1771.314
1113: 731.937 + 1039.411 = 1771.349
1114: 733.745 + 1037.608 = 1771.354
1115: 728.32 + 1043.304 = 1771.336
1116: 730.679 + 1040.715 = 1771.394
1117: 734.47 + 1037.279 = 1771.326
1118: 730.155 + 1041.159 = 1771.314
1119: 736.541 + 1034.801 = 1771.342
1120: 728.157 + 1043.685 = 1771.843
1121: 732.835 + 1039.09 = 1771.845
1122: 732.827 + 1039.07 = 1771.834
1123: 734.884 + 1036.974 = 1771.859
1124: 731.728 + 1040.205 = 1771.934
1125: 738.482 + 1033.430 = 1771.913
1126: 735.800 + 1036.46 = 1771.847
1127: 734.62 + 1037.803 = 1771.866
1128: 725.287 + 1046.601 = 1771.889
1129: 731.896 + 1039.958 = 1771.855
1130: 735.558 + 1036.306 = 1771.864
1131: 715.501 + 1056.334 = 1771.836
1132: 728.448 + 1043.425 = 1771.873
1133: 733.694 + 1038.168 = 1771.863
1134: 722.904 + 1049.99 = 1772.03
1135: 734.150 + 1037.696 = 1771.847
1136: 734.693 + 1037.110 = 1771.803
1137: 728.970 + 1042.852 = 1771.822
1138: 732.785 + 1039.08 = 1771.794
1139: 730.536 + 1041.291 = 1771.828
1140: 730.604 + 1041.197 = 1771.802
1141: 747.664 + 1024.146 = 1771.810
1142: 731.653 + 1040.122 = 1771.776
1143: 736.265 + 1035.529 = 1771.794
1144: 738.331 + 1033.593 = 1771.924
1145: 732.566 + 1039.366 = 1771.932
1146: 736.17 + 1035.929 = 1771.947
1147: 740.829 + 1031.98 = 1771.928
1148: 732.998 + 1038.926 = 1771.925
1149: 727.503 + 1044.506 = 1772.10
1150: 738.899 + 1033.28 = 1771.927
1151: 733.660 + 1038.261 = 1771.922
1152: 744.807 + 1026.492 = 1771.300
1153: 731.145 + 1040.148 = 1771.294
1154: 733.489 + 1037.820 = 1771.310
1155: 735.633 + 1035.667 = 1771.301
1156: 736.234 + 1035.78 = 1771.312
1157: 731.834 + 1039.469 = 1771.304
1158: 730.700 + 1040.590 = 1771.290
1159: 723.286 + 1048.25 = 1771.311
1160: 726.518 + 1045.91 = 1771.609
1161: 740.43 + 1031.572 = 1771.616
1162: 730.769 + 1040.820 = 1771.590
1163: 736.918 + 1034.663 = 1771.581
1164: 734.162 + 1037.457 = 1771.620
1165: 732.532 + 1039.40 = 1771.573
1166: 734.884 + 1036.709 = 1771.593
1167: 731.120 + 1040.462 = 1771.583
1168: 732.514 + 1038.923 = 1771.437
1169: 730.876 + 1040.559 = 1771.435
1170: 730.873 + 1040.550 = 1771.424
1171: 734.44 + 1037.388 = 1771.433
1172: 734.233 + 1037.167 = 1771.400
1173: 728.563 + 1042.836 = 1771.399
1174: 731.57 + 1040.328 = 1771.385
1175: 740.858 + 1030.636 = 1771.494
1176: 732.781 + 1038.632 = 1771.414
1177: 737.671 + 1033.767 = 1771.438
1178: 735.328 + 1036.115 = 1771.443
1179: 739.516 + 1031.911 = 1771.427
1180: 733.857 + 1037.542 = 1771.399
1181: 729.35 + 1042.361 = 1771.397
1182: 733.543 + 1037.946 = 1771.490
1183: 736.435 + 1034.990 = 1771.425
1184: 740.801 + 1030.587 = 1771.388
1185: 729.984 + 1041.572 = 1771.556
1186: 730.639 + 1040.763 = 1771.403
1187: 737.248 + 1034.151 = 1771.399
1188: 730.136 + 1041.267 = 1771.404
1189: 731.880 + 1039.521 = 1771.402
1190: 742.605 + 1028.790 = 1771.396
1191: 735.65 + 1036.349 = 1771.415
1192: 732.996 + 1039.130 = 1772.126
1193: 734.46 + 1038.79 = 1772.125
1194: 731.379 + 1040.759 = 1772.139
1195: 734.02 + 1038.181 = 1772.184
1196: 730.124 + 1042.23 = 1772.147
1197: 728.993 + 1043.145 = 1772.138
1198: 737.936 + 1034.248 = 1772.184
1199: 737.399 + 1034.737 = 1772.137
1200: 730.719 + 1041.29 = 1771.748
1201: 733.88 + 1038.632 = 1771.721
1202: 733.985 + 1037.767 = 1771.752
1203: 735.191 + 1036.565 = 1771.756
1204: 730.701 + 1041.17 = 1771.719
1205: 721.115 + 1050.617 = 1771.733
1206: 734.154 + 1037.674 = 1771.829
1207: 736.655 + 1035.84 = 1771.740
1208: 734.612 + 1037.365 = 1771.978
1209: 733.978 + 1037.936 = 1771.914
1210: 728.289 + 1043.605 = 1771.894
1211: 730.583 + 1041.421 = 1772.04
1212: 738.16 + 1033.898 = 1771.915
1213: 734.53 + 1037.921 = 1771.974
1214: 727.919 + 1043.979 = 1771.899
1215: 731.777 + 1040.121 = 1771.898
1216: 736.659 + 1035.328 = 1771.987
1217: 734.882 + 1037.91 = 1771.973
1218: 716.825 + 1055.133 = 1771.959
1219: 735.274 + 1036.719 = 1771.993
1220: 732.230 + 1039.734 = 1771.965
1221: 732.542 + 1039.411 = 1771.953
1222: 742.862 + 1029.96 = 1771.958
1223: 750.650 + 1021.311 = 1771.961
1224: 751.40 + 1020.900 = 1771.941
1225: 724.301 + 1047.724 = 1772.26
1226: 731.287 + 1040.647 = 1771.934
1227: 724.249 + 1047.754 = 1772.04
1228: 737.884 + 1034.55 = 1771.939
1229: 733.818 + 1038.147 = 1771.966
1230: 730.804 + 1041.137 = 1771.941
1231: 736.88 + 1035.841 = 1771.929
1232: 734.51 + 1037.749 = 1771.800
1233: 734.762 + 1037.41 = 1771.803
1234: 730.559 + 1041.209 = 1771.768
1235: 722.591 + 1049.263 = 1771.855
1236: 725.706 + 1046.117 = 1771.823
1237: 733.636 + 1038.173 = 1771.809
1238: 743.482 + 1028.314 = 1771.796
1239: 731.317 + 1040.480 = 1771.798
1240: 735.447 + 1036.419 = 1771.866
1241: 737.176 + 1034.683 = 1771.860
1242: 731.26 + 1040.840 = 1771.866
1243: 731.878 + 1039.956 = 1771.835
1244: 732.965 + 1038.897 = 1771.862
1245: 730.229 + 1041.632 = 1771.861
1246: 734.253 + 1037.609 = 1771.862
1247: 732.148 + 1039.675 = 1771.824
1248: 733.196 + 1038.677 = 1771.873
1249: 708.367 + 1063.598 = 1771.965
1250: 731.811 + 1040.67 = 1771.879
1251: 733.58 + 1038.817 = 1771.875
1252: 732.981 + 1038.897 = 1771.879
1253: 742.640 + 1029.215 = 1771.856
1254: 723.421 + 1048.424 = 1771.845
1255: 735.672 + 1036.185 = 1771.857
1256: 735.28 + 1036.19 = 1771.48
1257: 716.259 + 1054.810 = 1771.70
1258: 730.347 + 1040.694 = 1771.42
1259: 729.360 + 1041.699 = 1771.60
1260: 730.68 + 1041.36 = 1771.105
1261: 728.49 + 1042.988 = 1771.37
1262: 724.54 + 1046.978 = 1771.33
1263: 737.441 + 1033.631 = 1771.72
1264: 731.727 + 1039.875 = 1771.602
1265: 738.437 + 1033.155 = 1771.593
1266: 734.596 + 1036.960 = 1771.557
1267: 737.569 + 1033.987 = 1771.557
1268: 726.847 + 1044.698 = 1771.546
1269: 729.777 + 1041.758 = 1771.535
1270: 730.608 + 1040.944 = 1771.552
1271: 751.405 + 1020.140 = 1771.545
1272: 730.188 + 1040.880 = 1771.68
1273: 736.574 + 1034.438 = 1771.12
1274: 740.900 + 1030.92 = 1770.992
1275: 730.183 + 1040.896 = 1771.79
1276: 732.761 + 1038.262 = 1771.23
1277: 751.851 + 1019.128 = 1770.980
1278: 726.596 + 1044.444 = 1771.40
1279: 735.694 + 1035.295 = 1770.989
1280: 734.232 + 1037.146 = 1771.379
1281: 726.157 + 1045.269 = 1771.427
1282: 733.382 + 1038.28 = 1771.410
1283: 731.831 + 1039.606 = 1771.437
1284: 728.364 + 1043.18 = 1771.382
1285: 725.292 + 1046.112 = 1771.404
1286: 733.575 + 1037.837 = 1771.412
1287: 738.677 + 1032.712 = 1771.389
1288: 728.608 + 1042.833 = 1771.441
1289: 741.631 + 1029.808 = 1771.440
1290: 735.99 + 1036.351 = 1771.450
1291: 738.701 + 1032.748 = 1771.449
1292: 731.732 + 1039.715 = 1771.448
1293: 739.209 + 1032.216 = 1771.426
1294: 738.590 + 1032.853 = 1771.443
1295: 702.529 + 1068.911 = 1771.441
1296: 725.701 + 1045.449 = 1771.150
1297: 727.446 + 1043.683 = 1771.130
1298: 730.451 + 1040.723 = 1771.174
1299: 736.114 + 1035.38 = 1771.153
1300: 732.699 + 1038.451 = 1771.150
1301: 735.324 + 1035.830 = 1771.155
1302: 733.348 + 1037.829 = 1771.178
1303: 735.793 + 1035.349 = 1771.142
1304: 731.845 + 1039.537 = 1771.383
1305: 732.939 + 1038.427 = 1771.366
1306: 730.223 + 1041.140 = 1771.363
1307: 728.698 + 1042.649 = 1771.348
1308: 728.239 + 1043.130 = 1771.369
1309: 726.113 + 1045.332 = 1771.446
1310: 733.438 + 1037.931 = 1771.369
1311: 746.809 + 1024.541 = 1771.351
1312: 730.469 + 1036.559 = 1767.28
1313: 722.721 + 1044.351 = 1767.72
1314: 727.507 + 1039.663 = 1767.171
1315: 723.708 + 1043.326 = 1767.35
1316: 731.516 + 1035.545 = 1767.61
1317: 724.197 + 1042.848 = 1767.45
1318: 728.132 + 1038.912 = 1767.44
1319: 728.778 + 1038.279 = 1767.57
1320: 722.306 + 1048.791 = 1771.98
1321: 734.486 + 1036.608 = 1771.94
1322: 727.741 + 1043.341 = 1771.83
1323: 734.997 + 1036.83 = 1771.81
1324: 734.470 + 1036.636 = 1771.106
1325: 728.387 + 1042.791 = 1771.178
1326: 721.324 + 1049.778 = 1771.103
1327: 737.539 + 1033.562 = 1771.101
1328: 731.661 + 1039.320 = 1770.982
1329: 730.448 + 1040.547 = 1770.996
1330: 725.833 + 1045.156 = 1770.989
1331: 730.16 + 1040.969 = 1770.985
1332: 728.358 + 1042.726 = 1771.84
1333: 733.05 + 1038.37 = 1771.43
1334: 704.204 + 1066.818 = 1771.23
1335: 735.477 + 1035.501 = 1770.979
1336: 733.372 + 1038.396 = 1771.769
1337: 735.732 + 1036.23 = 1771.756
1338: 733.317 + 1038.431 = 1771.749
1339: 737.930 + 1033.824 = 1771.755
1340: 732.244 + 1039.532 = 1771.776
1341: 737.110 + 1034.642 = 1771.753
1342: 732.256 + 1039.489 = 1771.746
1343: 737.905 + 1033.853 = 1771.759
1344: 736.727 + 1034.726 = 1771.454
1345: 730.842 + 1040.632 = 1771.474
1346: 725.684 + 1045.783 = 1771.467
1347: 717.483 + 1053.974 = 1771.457
1348: 729.405 + 1042.180 = 1771.586
1349: 717.758 + 1053.693 = 1771.451
1350: 726.518 + 1044.962 = 1771.481
1351: 716.13 + 1055.444 = 1771.457
1352: 723.681 + 1047.905 = 1771.586
1353: 734.231 + 1037.350 = 1771.582
1354: 734.567 + 1037.69 = 1771.637
1355: 734.491 + 1037.85 = 1771.577
1356: 730.187 + 1041.378 = 1771.566
1357: 741.531 + 1030.46 = 1771.577
1358: 734.440 + 1037.118 = 1771.559
1359: 737.161 + 1034.438 = 1771.599
1360: 732.07 + 1039.83 = 1771.90
1361: 725.502 + 1045.578 = 1771.81
1362: 731.48 + 1040.45 = 1771.93
1363: 733.783 + 1037.296 = 1771.79
1364: 735.945 + 1035.116 = 1771.62
1365: 731.546 + 1039.532 = 1771.78
1366: 733.156 + 1037.904 = 1771.60
1367: 731.74 + 1039.994 = 1771.68
1368: 735.737 + 1035.326 = 1771.63
1369: 745.285 + 1025.778 = 1771.64
1370: 728.530 + 1042.513 = 1771.44
1371: 729.361 + 1041.712 = 1771.74
1372: 726.285 + 1044.750 = 1771.35
1373: 734.302 + 1036.873 = 1771.176
1374: 736.85 + 1034.991 = 1771.76
1375: 736.495 + 1034.578 = 1771.74
1376: 728.269 + 1043.646 = 1771.916
1377: 727.882 + 1044.54 = 1771.936
1378: 618.784 + 1153.130 = 1771.914
1379: 737.578 + 1034.334 = 1771.913
1380: 724.717 + 1047.229 = 1771.947
1381: 733.735 + 1038.180 = 1771.915
1382: 737.46 + 1034.871 = 1771.917
1383: 735.593 + 1036.324 = 1771.918
1384: 731.326 + 1040.428 = 1771.755
1385: 727.947 + 1043.819 = 1771.767
1386: 730.929 + 1040.819 = 1771.748
1387: 733.177 + 1038.575 = 1771.752
1388: 736.614 + 1035.129 = 1771.744
1389: 733.277 + 1038.533 = 1771.810
1390: 730.713 + 1041.35 = 1771.748
1391: 737.202 + 1034.551 = 1771.754
1392: 733.71 + 1038.545 = 1771.617
1393: 726.575 + 1045.58 = 1771.633
1394: 720.933 + 1050.694 = 1771.627
1395: 727.275 + 1044.360 = 1771.635
1396: 732.630 + 1039.14 = 1771.645
1397: 733.135 + 1038.503 = 1771.638
1398: 731.36 + 1040.597 = 1771.634
1399: 730.735 + 1040.895 = 1771.631
1400: 757.665 + 1014.42 = 1771.707
1401: 749.946 + 1021.844 = 1771.790
1402: 753.510 + 1018.291 = 1771.802
1403: 750.420 + 1021.273 = 1771.693
1404: 754.610 + 1017.129 = 1771.739
1405: 749.788 + 1021.909 = 1771.697
1406: 759.327 + 1012.394 = 1771.722
1407: 753.151 + 1018.526 = 1771.678
1408: 734.762 + 1036.943 = 1771.706
1409: 725.959 + 1045.710 = 1771.669
1410: 739.316 + 1032.382 = 1771.698
1411: 731.908 + 1039.829 = 1771.738
1412: 719.833 + 1051.876 = 1771.709
1413: 729.699 + 1041.986 = 1771.685
1414: 732.729 + 1038.981 = 1771.710
1415: 750.13 + 1021.672 = 1771.686
1416: 734.432 + 1037.222 = 1771.654
1417: 734.129 + 1037.572 = 1771.701
1418: 737.159 + 1034.534 = 1771.693
1419: 736.467 + 1035.197 = 1771.664
1420: 731.08 + 1040.676 = 1771.684
1421: 734.279 + 1037.382 = 1771.662
1422: 744.34 + 1027.630 = 1771.665
1423: 735.838 + 1035.843 = 1771.681
1424: 730.597 + 1041.111 = 1771.709
1425: 732.541 + 1039.257 = 1771.798
1426: 734.763 + 1036.932 = 1771.695
1427: 729.731 + 1041.966 = 1771.697
1428: 735.882 + 1035.815 = 1771.697
1429: 732.14 + 1039.681 = 1771.696
1430: 727.799 + 1043.899 = 1771.699
1431: 733.973 + 1037.710 = 1771.684
1432: 740.833 + 1031.505 = 1772.338
1433: 742.382 + 1029.878 = 1772.261
1434: 737.635 + 1034.605 = 1772.240
1435: 745.464 + 1026.751 = 1772.215
1436: 740.870 + 1031.359 = 1772.229
1437: 741.231 + 1030.970 = 1772.202
1438: 745.290 + 1026.940 = 1772.230
1439: 737.739 + 1034.474 = 1772.214
1440: 725.568 + 1046.70 = 1771.639
1441: 724.773 + 1046.867 = 1771.641
1442: 723.904 + 1047.732 = 1771.636
1443: 732.19 + 1039.643 = 1771.662
1444: 735.121 + 1036.539 = 1771.660
1445: 749.336 + 1022.286 = 1771.622
1446: 735.691 + 1035.967 = 1771.658
1447: 743.28 + 1028.635 = 1771.664
1448: 741.353 + 1030.355 = 1771.709
1449: 729.288 + 1042.435 = 1771.723
1450: 729.847 + 1041.894 = 1771.741
1451: 729.676 + 1042.77 = 1771.753
1452: 726.627 + 1045.133 = 1771.761
1453: 729.882 + 1041.848 = 1771.731
1454: 732.218 + 1039.559 = 1771.777
1455: 735.829 + 1035.913 = 1771.742
1456: 733.837 + 1033.544 = 1767.381
1457: 729.281 + 1038.105 = 1767.387
1458: 733.425 + 1033.967 = 1767.392
1459: 729.433 + 1037.942 = 1767.375
1460: 731.141 + 1036.257 = 1767.398
1461: 727.98 + 1040.303 = 1767.402
1462: 723.879 + 1043.494 = 1767.373
1463: 737.68 + 1030.307 = 1767.375
1464: 735.852 + 1036.67 = 1771.919
1465: 734.419 + 1037.519 = 1771.939
1466: 735.344 + 1036.577 = 1771.921
1467: 729.493 + 1042.437 = 1771.931
1468: 729.522 + 1042.484 = 1772.07
1469: 729.429 + 1042.505 = 1771.935
1470: 739.754 + 1032.143 = 1771.897
1471: 737.536 + 1034.400 = 1771.937
1472: 743.107 + 1028.524 = 1771.632
1473: 748.557 + 1023.20 = 1771.577
1474: 745.424 + 1026.173 = 1771.597
1475: 750.501 + 1021.75 = 1771.576
1476: 751.924 + 1019.662 = 1771.587
1477: 757.904 + 1013.675 = 1771.580
1478: 750.217 + 1021.366 = 1771.584
1479: 748.471 + 1023.121 = 1771.592
1480: 735.947 + 1035.962 = 1771.910
1481: 722.733 + 1049.172 = 1771.905
1482: 736.379 + 1035.509 = 1771.889
1483: 734.569 + 1037.336 = 1771.905
1484: 739.599 + 1032.295 = 1771.895
1485: 735.762 + 1036.103 = 1771.866
1486: 734.781 + 1037.100 = 1771.882
1487: 729.455 + 1042.429 = 1771.884
1488: 729.168 + 1042.509 = 1771.678
1489: 739.485 + 1032.209 = 1771.695
1490: 738.319 + 1033.383 = 1771.703
1491: 734.751 + 1036.939 = 1771.691
1492: 740.207 + 1031.489 = 1771.696
1493: 752.764 + 1018.909 = 1771.674
1494: 746.974 + 1024.736 = 1771.710
1495: 737.716 + 1034.30 = 1771.746
1496: 735.666 + 1036.247 = 1771.914
1497: 736.894 + 1034.975 = 1771.869
1498: 731.933 + 1039.916 = 1771.850
1499: 733.298 + 1038.598 = 1771.896
1500: 734.695 + 1037.202 = 1771.897
1501: 735.481 + 1036.399 = 1771.881
1502: 733.371 + 1038.504 = 1771.875
1503: 752.107 + 1019.752 = 1771.860
1504: 734.197 + 1037.557 = 1771.755
1505: 730.36 + 1041.735 = 1771.772
1506: 737.653 + 1034.114 = 1771.768
1507: 735.134 + 1036.601 = 1771.735
1508: 737.781 + 1033.986 = 1771.767
1509: 738.634 + 1033.141 = 1771.776
1510: 732.665 + 1039.83 = 1771.749
1511: 736.928 + 1034.822 = 1771.750
1512: 735.634 + 1036.121 = 1771.755
1513: 734.232 + 1037.494 = 1771.726
1514: 735.895 + 1035.830 = 1771.725
1515: 738.511 + 1033.235 = 1771.746
1516: 728.57 + 1043.691 = 1771.748
1517: 732.148 + 1039.578 = 1771.726
1518: 729.498 + 1042.241 = 1771.740
1519: 750.253 + 1021.489 = 1771.742
1520: 732.62 + 1039.803 = 1771.866
1521: 738.355 + 1033.516 = 1771.871
1522: 737.295 + 1034.557 = 1771.853
1523: 744.403 + 1027.488 = 1771.892
1524: 734.535 + 1037.340 = 1771.875
1525: 723.902 + 1047.958 = 1771.860
1526: 739.929 + 1031.935 = 1771.865
1527: 756.362 + 1015.525 = 1771.887
1528: 734.32 + 1038.29 = 1772.61
1529: 734.351 + 1037.714 = 1772.66
1530: 730.725 + 1041.331 = 1772.56
1531: 736.955 + 1035.151 = 1772.107
1532: 735.727 + 1036.344 = 1772.71
1533: 731.307 + 1040.741 = 1772.49
1534: 729.494 + 1042.652 = 1772.147
1535: 747.502 + 1024.566 = 1772.69
1536: 730.974 + 1041.282 = 1772.257
1537: 728.910 + 1043.252 = 1772.163
1538: 733.686 + 1038.460 = 1772.147
1539: 735.778 + 1036.390 = 1772.168
1540: 716.934 + 1055.245 = 1772.180
1541: 731.273 + 1040.918 = 1772.191
1542: 732.879 + 1039.260 = 1772.139
1543: 753.808 + 1018.468 = 1772.277
1544: 733.08 + 1039.303 = 1772.311
1545: 733.251 + 1039.55 = 1772.306
1546: 742.123 + 1030.219 = 1772.343
1547: 735.613 + 1036.700 = 1772.313
1548: 734.312 + 1037.982 = 1772.295
1549: 732.998 + 1039.310 = 1772.309
1550: 732.718 + 1039.579 = 1772.297
1551: 748.711 + 1023.576 = 1772.287
1552: 729.347 + 1043.228 = 1772.576
1553: 734.512 + 1037.910 = 1772.423
1554: 745.483 + 1026.986 = 1772.470
1555: 730.168 + 1042.259 = 1772.427
1556: 736.923 + 1035.514 = 1772.438
1557: 739.216 + 1033.209 = 1772.425
1558: 732.579 + 1039.865 = 1772.445
1559: 734.779 + 1037.699 = 1772.479
1560: 739.665 + 1032.463 = 1772.129
1561: 737.16 + 1035.118 = 1772.135
1562: 734.139 + 1037.997 = 1772.136
1563: 727.773 + 1044.365 = 1772.138
1564: 744.329 + 1027.811 = 1772.140
1565: 731.559 + 1040.637 = 1772.197
1566: 753.575 + 1018.554 = 1772.130
1567: 748.849 + 1023.258 = 1772.107
1568: 739.531 + 1032.938 = 1772.469
1569: 734.329 + 1038.39 = 1772.369
1570: 738.462 + 1033.907 = 1772.370
1571: 737.992 + 1034.400 = 1772.393
1572: 744.932 + 1027.463 = 1772.395
1573: 741.907 + 1030.486 = 1772.393
1574: 732.868 + 1039.532 = 1772.400
1575: 749.481 + 1022.904 = 1772.386
1576: 732.388 + 1039.428 = 1771.817
1577: 730.422 + 1041.397 = 1771.819
1578: 735.495 + 1036.341 = 1771.836
1579: 735.427 + 1036.361 = 1771.789
1580: 731.996 + 1039.961 = 1771.958
1581: 732.451 + 1039.375 = 1771.826
1582: 735.456 + 1036.352 = 1771.809
1583: 747.895 + 1023.905 = 1771.800
1584: 738.365 + 1033.884 = 1772.250
1585: 738.714 + 1033.614 = 1772.329
1586: 737.149 + 1035.115 = 1772.264
1587: 725.634 + 1046.628 = 1772.263
1588: 731.925 + 1040.323 = 1772.249
1589: 743.86 + 1029.166 = 1772.252
1590: 736.77 + 1036.199 = 1772.276
1591: 735.342 + 1036.916 = 1772.258
1592: 733.103 + 1038.767 = 1771.870
1593: 737.409 + 1034.479 = 1771.889
1594: 737.279 + 1034.606 = 1771.885
1595: 728.334 + 1043.596 = 1771.931
1596: 735.608 + 1036.272 = 1771.881
1597: 737.875 + 1034.17 = 1771.893
1598: 726.969 + 1044.919 = 1771.889
1599: 741.807 + 1030.59 = 1771.867
1600: 739.315 + 1032.586 = 1771.901
1601: 729.512 + 1042.417 = 1771.930
1602: 731.654 + 1040.242 = 1771.897
1603: 730.756 + 1041.118 = 1771.874
1604: 734.26 + 1037.850 = 1771.876
1605: 730.649 + 1041.247 = 1771.897
1606: 730.807 + 1041.72 = 1771.880
1607: 750.529 + 1021.357 = 1771.887
1608: 736.775 + 1035.238 = 1772.13
1609: 738.595 + 1033.363 = 1771.958
1610: 729.718 + 1042.354 = 1772.73
1611: 736.806 + 1035.166 = 1771.972
1612: 722.959 + 1049.110 = 1772.70
1613: 731.137 + 1040.831 = 1771.969
1614: 738.717 + 1033.253 = 1771.971
1615: 746.852 + 1025.119 = 1771.971
1616: 737.815 + 1033.869 = 1771.684
1617: 737.510 + 1034.182 = 1771.692
1618: 735.383 + 1036.321 = 1771.705
1619: 729.115 + 1042.572 = 1771.688
1620: 735.540 + 1036.149 = 1771.689
1621: 737.17 + 1034.650 = 1771.668
1622: 737.632 + 1034.57 = 1771.690
1623: 763.488 + 1008.203 = 1771.692
1624: 739.599 + 1031.975 = 1771.575
1625: 734.472 + 1037.104 = 1771.576
1626: 733.722 + 1037.870 = 1771.592
1627: 736.72 + 1035.520 = 1771.593
1628: 741.30 + 1030.668 = 1771.698
1629: 737.932 + 1033.643 = 1771.575
1630: 734.280 + 1037.291 = 1771.571
1631: 743.718 + 1027.867 = 1771.585
1632: 729.829 + 1041.940 = 1771.769
1633: 730.360 + 1041.435 = 1771.795
1634: 739.899 + 1031.902 = 1771.801
1635: 738.741 + 1033.28 = 1771.770
1636: 727.36 + 1044.811 = 1771.848
1637: 736.830 + 1034.967 = 1771.798
1638: 734.683 + 1037.94 = 1771.778
1639: 761.972 + 1009.817 = 1771.789
1640: 737.423 + 1034.337 = 1771.760
1641: 741.816 + 1029.841 = 1771.657
1642: 724.983 + 1046.661 = 1771.644
1643: 720.156 + 1051.483 = 1771.639
1644: 731.62 + 1040.665 = 1771.727
1645: 731.12 + 1040.627 = 1771.639
1646: 730.511 + 1041.98 = 1771.609
1647: 744.432 + 1027.209 = 1771.642
1648: 734.232 + 1037.485 = 1771.717
1649: 728.449 + 1043.161 = 1771.611
1650: 733.744 + 1037.876 = 1771.621
1651: 730.569 + 1041.41 = 1771.611
1652: 738.263 + 1033.346 = 1771.610
1653: 738.397 + 1033.252 = 1771.649
1654: 731.42 + 1040.583 = 1771.625
1655: 750.686 + 1020.936 = 1771.623
1656: 739.376 + 1032.387 = 1771.764
1657: 733.273 + 1038.364 = 1771.638
1658: 727.836 + 1043.806 = 1771.642
1659: 709.443 + 1062.207 = 1771.650
1660: 734.460 + 1037.198 = 1771.659
1661: 736.817 + 1034.830 = 1771.648
1662: 735.773 + 1035.875 = 1771.648
1663: 761.227 + 1010.410 = 1771.638
1664: 736.546 + 1034.937 = 1771.484
1665: 734.904 + 1036.553 = 1771.458
1666: 731.89 + 1040.391 = 1771.480
1667: 730.754 + 1040.707 = 1771.462
1668: 725.205 + 1046.261 = 1771.466
1669: 733.674 + 1037.787 = 1771.461
1670: 726.495 + 1044.955 = 1771.450
1671: 742.901 + 1028.562 = 1771.463
1672: 737.464 + 1034.138 = 1771.603
1673: 735.251 + 1036.365 = 1771.616
1674: 741.954 + 1029.647 = 1771.601
1675: 744.570 + 1027.58 = 1771.628
1676: 745.473 + 1026.149 = 1771.622
1677: 742.425 + 1029.190 = 1771.616
1678: 744.626 + 1027.39 = 1771.666
1679: 745.622 + 1025.957 = 1771.580
1680: 734.784 + 1036.784 = 1771.569
1681: 735.304 + 1036.249 = 1771.553
1682: 730.523 + 1041.156 = 1771.679
1683: 735.78 + 1036.504 = 1771.582
1684: 736.870 + 1034.716 = 1771.586
1685: 736.351 + 1035.218 = 1771.570
1686: 734.162 + 1037.390 = 1771.552
1687: 751.644 + 1020.26 = 1771.671
1688: 733.38 + 1038.501 = 1771.539
1689: 695.139 + 1076.400 = 1771.539
1690: 737.369 + 1034.163 = 1771.533
1691: 738.853 + 1032.709 = 1771.562
1692: 740.361 + 1031.179 = 1771.540
1693: 731.535 + 1040.15 = 1771.550
1694: 732.991 + 1038.687 = 1771.679
1695: 745.626 + 1025.885 = 1771.511
1696: 735.921 + 1035.171 = 1771.93
1697: 734.793 + 1036.340 = 1771.133
1698: 721.979 + 1049.106 = 1771.85
1699: 736.17 + 1035.55 = 1771.72
1700: 729.261 + 1041.821 = 1771.83
1701: 731.573 + 1039.586 = 1771.160
1702: 727.705 + 1043.401 = 1771.106
1703: 748.66 + 1023.37 = 1771.104
1704: 735.949 + 1035.60 = 1771.09
1705: 728.434 + 1042.588 = 1771.22
1706: 733.967 + 1037.75 = 1771.43
1707: 731.65 + 1039.941 = 1771.06
1708: 741.489 + 1029.658 = 1771.148
1709: 734.481 + 1036.544 = 1771.25
1710: 728.339 + 1042.676 = 1771.16
1711: 744.661 + 1026.359 = 1771.21
1712: 735.298 + 1035.863 = 1771.161
1713: 729.481 + 1041.679 = 1771.160
1714: 735.245 + 1036.29 = 1771.274
1715: 733.28 + 1038.139 = 1771.167
1716: 736.05 + 1035.178 = 1771.184
1717: 729.644 + 1041.504 = 1771.149
1718: 719.80 + 1052.54 = 1771.134
1719: 746.661 + 1024.515 = 1771.176
1720: 730.802 + 1040.391 = 1771.194
1721: 732.96 + 1039.114 = 1771.210
1722: 739.491 + 1031.623 = 1771.115
1723: 729.734 + 1041.382 = 1771.117
1724: 735.844 + 1035.291 = 1771.136
1725: 732.16 + 1039.99 = 1771.115
1726: 732.818 + 1038.340 = 1771.158
1727: 746.862 + 1024.246 = 1771.109
1728: 736.906 + 1033.944 = 1770.850
1729: 710.993 + 1059.882 = 1770.875
1730: 733.684 + 1037.172 = 1770.856
1731: 733.935 + 1036.923 = 1770.858
1732: 732.88 + 1038.755 = 1770.843
1733: 738.187 + 1032.656 = 1770.843
1734: 735.590 + 1035.242 = 1770.832
1735: 748.37 + 1022.821 = 1770.858
1736: 732.285 + 1038.830 = 1771.116
1737: 728.92 + 1042.926 = 1771.18
1738: 735.466 + 1035.556 = 1771.22
1739: 731.168 + 1039.825 = 1770.994
1740: 738.682 + 1032.323 = 1771.05
1741: 739.921 + 1031.122 = 1771.44
1742: 751.99 + 1019.893 = 1770.993
1743: 746.470 + 1024.562 = 1771.33
1744: 736.329 + 1035.160 = 1771.489
1745: 735.996 + 1035.486 = 1771.483
1746: 737.507 + 1034.08 = 1771.516
1747: 732.468 + 1038.997 = 1771.465
1748: 735.892 + 1035.652 = 1771.544
1749: 737.857 + 1033.649 = 1771.507
1750: 730.599 + 1040.889 = 1771.488
1751: 748.529 + 1022.976 = 1771.505
1752: 729.74 + 1042.468 = 1771.542
1753: 736.909 + 1034.538 = 1771.448
1754: 740.917 + 1030.527 = 1771.444
1755: 742.04 + 1029.471 = 1771.476
1756: 737.770 + 1033.712 = 1771.482
1757: 732.225 + 1039.228 = 1771.453
1758: 733.155 + 1038.342 = 1771.497
1759: 740.888 + 1030.543 = 1771.431
1760: 723.62 + 1048.332 = 1771.394
1761: 749.304 + 1022.63 = 1771.368
1762: 738.984 + 1032.418 = 1771.402
1763: 734.629 + 1036.748 = 1771.377
1764: 756.945 + 1014.456 = 1771.401
1765: 731.653 + 1039.771 = 1771.424
1766: 731.133 + 1040.236 = 1771.369
1767: 764.255 + 1007.120 = 1771.375
1768: 732.78 + 1039.476 = 1771.554
1769: 732.111 + 1039.516 = 1771.628
1770: 767.254 + 1004.309 = 1771.563
1771: 748.41 + 1023.521 = 1771.563
1772: 732.567 + 1039.09 = 1771.577
1773: 744.613 + 1027.32 = 1771.646
1774: 735.460 + 1036.94 = 1771.555
1775: 750.384 + 1021.201 = 1771.585
1776: 736.397 + 1035.119 = 1771.517
1777: 734.510 + 1037.16 = 1771.526
1778: 739.443 + 1032.79 = 1771.522
1779: 732.607 + 1038.923 = 1771.531
1780: 730.89 + 1041.413 = 1771.503
1781: 729.685 + 1041.822 = 1771.507
1782: 734.647 + 1036.851 = 1771.498
1783: 750.12 + 1021.504 = 1771.516
1784: 733.60 + 1037.977 = 1771.37
1785: 733.670 + 1037.385 = 1771.56
1786: 727.276 + 1043.776 = 1771.53
1787: 737.766 + 1033.277 = 1771.44
1788: 729.869 + 1041.178 = 1771.48
1789: 730.769 + 1040.336 = 1771.106
1790: 737.982 + 1033.74 = 1771.57
1791: 746.170 + 1024.852 = 1771.22
1792: 722.477 + 1048.616 = 1771.94
1793: 734.693 + 1036.293 = 1770.987
1794: 739.287 + 1031.676 = 1770.963
1795: 734.770 + 1036.196 = 1770.967
1796: 737.387 + 1033.575 = 1770.962
1797: 731.275 + 1039.691 = 1770.966
1798: 743.748 + 1027.211 = 1770.959
1799: 748.835 + 1022.117 = 1770.952
1800: 747.558 + 1023.978 = 1771.537
1801: 732.845 + 1038.623 = 1771.469
1802: 733.198 + 1038.281 = 1771.479
1803: 737.587 + 1033.868 = 1771.456
1804: 735.495 + 1035.993 = 1771.488
1805: 733.539 + 1038.53 = 1771.592
1806: 732.953 + 1038.551 = 1771.504
1807: 744.248 + 1027.236 = 1771.484
1808: 732.406 + 1039.144 = 1771.550
1809: 734.455 + 1037.73 = 1771.528
1810: 730.824 + 1040.733 = 1771.558
1811: 740.700 + 1030.866 = 1771.567
1812: 740.180 + 1031.414 = 1771.595
1813: 720.18 + 1051.521 = 1771.540
1814: 729.12 + 1042.515 = 1771.528
1815: 747.895 + 1023.644 = 1771.540
1816: 732.894 + 1038.302 = 1771.197
1817: 729.936 + 1041.227 = 1771.163
1818: 731.128 + 1040.62 = 1771.191
1819: 736.350 + 1034.823 = 1771.174
1820: 728.635 + 1042.539 = 1771.174
1821: 733.137 + 1038.37 = 1771.174
1822: 728.440 + 1042.727 = 1771.168
1823: 748.670 + 1022.517 = 1771.187
1824: 725.276 + 1045.976 = 1771.252
1825: 735.743 + 1035.512 = 1771.255
1826: 734.168 + 1037.96 = 1771.265
1827: 746.652 + 1024.572 = 1771.225
1828: 733.763 + 1037.494 = 1771.258
1829: 734.833 + 1036.426 = 1771.259
1830: 731.69 + 1040.240 = 1771.310
1831: 750.428 + 1020.834 = 1771.263
1832: 721.311 + 1049.762 = 1771.74
1833: 746.828 + 1024.292 = 1771.121
1834: 726.301 + 1044.757 = 1771.59
1835: 730.550 + 1040.509 = 1771.60
1836: 729.998 + 1041.144 = 1771.142
1837: 730.651 + 1040.445 = 1771.97
1838: 727.678 + 1043.393 = 1771.71
1839: 737.894 + 1033.186 = 1771.80
1840: 735.328 + 1036.184 = 1771.513
1841: 728.457 + 1043.21 = 1771.479
1842: 730.713 + 1040.757 = 1771.471
1843: 728.527 + 1042.918 = 1771.446
1844: 726.21 + 1045.439 = 1771.461
1845: 735.990 + 1035.568 = 1771.558
1846: 734.593 + 1036.869 = 1771.462
1847: 749.887 + 1021.619 = 1771.507
1848: 732.248 + 1038.913 = 1771.161
1849: 734.778 + 1036.377 = 1771.156
1850: 737.301 + 1033.845 = 1771.146
1851: 735.799 + 1035.344 = 1771.143
1852: 733.816 + 1037.361 = 1771.178
1853: 739.574 + 1031.586 = 1771.161
1854: 737.771 + 1033.405 = 1771.176
1855: 748.494 + 1022.645 = 1771.139
1856: 723.137 + 1048.445 = 1771.582
1857: 724.910 + 1046.633 = 1771.544
1858: 734.700 + 1036.837 = 1771.538
1859: 725.191 + 1046.311 = 1771.503
1860: 711.80 + 1060.469 = 1771.549
1861: 727.128 + 1044.386 = 1771.515
1862: 743.147 + 1028.364 = 1771.512
1863: 750.438 + 1021.59 = 1771.497
1864: 735.445 + 1035.804 = 1771.250
1865: 732.310 + 1038.928 = 1771.238
1866: 740.979 + 1030.276 = 1771.256
1867: 737.120 + 1034.129 = 1771.250
1868: 745.252 + 1025.982 = 1771.235
1869: 744.431 + 1026.857 = 1771.288
1870: 720.360 + 1050.896 = 1771.257
1871: 762.314 + 1008.928 = 1771.243
1872: 736.206 + 1035.13 = 1771.220
1873: 736.433 + 1034.739 = 1771.173
1874: 731.279 + 1039.878 = 1771.157
1875: 740.772 + 1030.423 = 1771.195
1876: 736.573 + 1034.613 = 1771.186
1877: 737.509 + 1033.668 = 1771.177
1878: 727.248 + 1043.917 = 1771.166
1879: 749.449 + 1021.710 = 1771.160
1880: 735.605 + 1035.838 = 1771.444
1881: 731.56 + 1040.405 = 1771.461
1882: 739.703 + 1031.754 = 1771.457
1883: 737.249 + 1034.233 = 1771.482
1884: 744.606 + 1026.867 = 1771.473
1885: 734.781 + 1036.670 = 1771.452
1886: 736.570 + 1034.882 = 1771.453
1887: 755.526 + 1015.908 = 1771.435
1888: 730.911 + 1040.522 = 1771.433
1889: 732.257 + 1039.281 = 1771.539
1890: 730.915 + 1040.530 = 1771.446
1891: 733.530 + 1037.936 = 1771.467
1892: 738.755 + 1032.691 = 1771.447
1893: 737.147 + 1034.274 = 1771.421
1894: 731.943 + 1039.488 = 1771.431
1895: 750.346 + 1021.105 = 1771.451
1896: 731.358 + 1040.343 = 1771.701
1897: 747.253 + 1024.444 = 1771.697
1898: 735.36 + 1036.669 = 1771.706
1899: 735.844 + 1035.864 = 1771.708
1900: 737.635 + 1034.95 = 1771.731
1901: 731.485 + 1040.203 = 1771.688
1902: 736.752 + 1034.953 = 1771.706
1903: 747.584 + 1024.136 = 1771.720
1904: 737.785 + 1033.346 = 1771.132
1905: 732.752 + 1038.382 = 1771.134
1906: 734.155 + 1036.986 = 1771.142
1907: 730.55 + 1041.97 = 1771.152
1908: 735.428 + 1035.686 = 1771.115
1909: 736.313 + 1034.800 = 1771.113
1910: 739.888 + 1031.209 = 1771.98
1911: 738.201 + 1032.969 = 1771.170
1912: 735.293 + 1036.66 = 1771.359
1913: 737.35 + 1034.339 = 1771.374
1914: 733.657 + 1037.722 = 1771.379
1915: 731.652 + 1039.738 = 1771.391
1916: 737.991 + 1033.384 = 1771.375
1917: 730.775 + 1040.585 = 1771.360
1918: 746.739 + 1024.609 = 1771.349
1919: 737.52 + 1034.359 = 1771.411
1920: 740.285 + 1030.798 = 1771.83
1921: 733.602 + 1037.510 = 1771.112
1922: 734.705 + 1036.387 = 1771.93
1923: 732.261 + 1038.828 = 1771.89
1924: 729.46 + 1042.85 = 1771.131
1925: 736.151 + 1034.922 = 1771.73
1926: 732.430 + 1038.663 = 1771.93
1927: 746.607 + 1024.487 = 1771.94
1928: 729.520 + 1041.430 = 1770.950
1929: 735.920 + 1035.71 = 1770.992
1930: 726.541 + 1044.377 = 1770.918
1931: 645.826 + 1125.139 = 1770.966
1932: 728.370 + 1042.554 = 1770.925
1933: 731.111 + 1039.824 = 1770.935
1934: 733.197 + 1037.749 = 1770.947
1935: 749.632 + 1021.291 = 1770.924
1936: 742.307 + 1028.584 = 1770.892
1937: 733.441 + 1037.518 = 1770.959
1938: 741.227 + 1029.642 = 1770.869
1939: 732.539 + 1038.374 = 1770.914
1940: 732.466 + 1038.422 = 1770.888
1941: 735.137 + 1035.763 = 1770.900
1942: 733.516 + 1037.390 = 1770.906
1943: 746.45 + 1024.847 = 1770.892
1944: 734.613 + 1036.372 = 1770.986
1945: 729.547 + 1041.427 = 1770.974
1946: 736.343 + 1034.607 = 1770.950
1947: 732.231 + 1038.704 = 1770.935
1948: 732.788 + 1038.160 = 1770.948
1949: 739.539 + 1031.483 = 1771.22
1950: 726.996 + 1043.948 = 1770.945
1951: 748.611 + 1022.334 = 1770.946
1952: 736.695 + 1034.477 = 1771.172
1953: 728.803 + 1042.379 = 1771.183
1954: 727.219 + 1044.58 = 1771.278
1955: 731.36 + 1040.150 = 1771.187
1956: 726.135 + 1045.28 = 1771.164
1957: 732.785 + 1038.393 = 1771.178
1958: 744.731 + 1026.442 = 1771.174
1959: 746.970 + 1024.234 = 1771.204
1960: 734.134 + 1036.751 = 1770.886
1961: 737.457 + 1033.525 = 1770.983
1962: 732.391 + 1038.512 = 1770.904
1963: 749.790 + 1021.110 = 1770.901
1964: 738.858 + 1032.71 = 1770.929
1965: 727.151 + 1043.772 = 1770.924
1966: 736.975 + 1033.937 = 1770.913
1967: 751.541 + 1019.422 = 1770.963
1968: 733.324 + 1038.145 = 1771.469
1969: 738.489 + 1032.993 = 1771.482
1970: 732.503 + 1038.981 = 1771.485
1971: 733.177 + 1038.306 = 1771.483
1972: 720.922 + 1050.560 = 1771.482
1973: 738.655 + 1032.824 = 1771.479
1974: 733.952 + 1037.526 = 1771.479
1975: 761.637 + 1009.826 = 1771.463
1976: 733.500 + 1037.612 = 1771.112
1977: 732.713 + 1038.381 = 1771.95
1978: 735.626 + 1035.516 = 1771.142
1979: 732.260 + 1038.825 = 1771.85
1980: 734.891 + 1036.216 = 1771.108
1981: 725.114 + 1045.994 = 1771.109
1982: 742.461 + 1028.636 = 1771.97
1983: 753.486 + 1017.588 = 1771.74
1984: 734.53 + 1037.583 = 1771.636
1985: 733.825 + 1037.622 = 1771.448
1986: 737.820 + 1033.631 = 1771.451
1987: 736.920 + 1034.536 = 1771.457
1988: 743.58 + 1028.428 = 1771.486
1989: 737.05 + 1034.461 = 1771.466
1990: 735.40 + 1036.405 = 1771.445
1991: 742.733 + 1028.713 = 1771.447
1992: 722.39 + 1049.163 = 1771.203
1993: 723.197 + 1048.15 = 1771.213
1994: 726.550 + 1044.647 = 1771.198
1995: 733.255 + 1037.949 = 1771.204
1996: 721.614 + 1049.569 = 1771.183
1997: 722.255 + 1048.939 = 1771.194
1998: 733.223 + 1037.964 = 1771.188
1999: 735.386 + 1035.810 = 1771.197
2000: 731.198 + 1040.205 = 1771.404
2001: 740.892 + 1030.627 = 1771.519
2002: 733.966 + 1037.449 = 1771.416
2003: 729.41 + 1042.401 = 1771.442
2004: 733.181 + 1038.237 = 1771.418
2005: 718.131 + 1053.316 = 1771.448
2006: 734.276 + 1037.150 = 1771.427
2007: 745.762 + 1025.666 = 1771.428
2008: 736.122 + 1035.468 = 1771.590
2009: 736.61 + 1035.547 = 1771.608
2010: 729.852 + 1041.744 = 1771.596
2011: 742.848 + 1028.796 = 1771.645
2012: 732.707 + 1038.861 = 1771.568
2013: 746.654 + 1024.927 = 1771.581
2014: 734.255 + 1037.351 = 1771.607
2015: 747.29 + 1024.574 = 1771.603
2016: 734.975 + 1035.979 = 1770.954
2017: 728.908 + 1042.76 = 1770.985
2018: 729.99 + 1041.833 = 1770.933
2019: 707.234 + 1063.734 = 1770.968
2020: 729.809 + 1041.138 = 1770.948
2021: 730.202 + 1040.760 = 1770.963
2022: 738.425 + 1032.587 = 1771.12
2023: 737.795 + 1033.167 = 1770.963
2024: 736.912 + 1034.222 = 1771.135
2025: 735.617 + 1035.534 = 1771.152
2026: 726.989 + 1044.98 = 1771.87
2027: 729.957 + 1041.154 = 1771.111
2028: 732.775 + 1038.360 = 1771.136
2029: 729.373 + 1041.760 = 1771.134
2030: 733.303 + 1037.808 = 1771.111
2031: 755.765 + 1015.365 = 1771.130
2032: 736.440 + 1035.327 = 1771.767
2033: 744.691 + 1027.83 = 1771.774
2034: 736.122 + 1035.678 = 1771.800
2035: 739.809 + 1031.986 = 1771.796
2036: 745.868 + 1025.896 = 1771.765
2037: 738.400 + 1033.386 = 1771.786
2038: 732.506 + 1039.278 = 1771.784
2039: 743.304 + 1028.466 = 1771.770
2040: 750.490 + 1020.818 = 1771.308
2041: 738.636 + 1032.660 = 1771.297
2042: 737.471 + 1033.829 = 1771.300
2043: 732.165 + 1039.101 = 1771.266
2044: 731.835 + 1039.459 = 1771.294
2045: 730.354 + 1040.956 = 1771.310
2046: 731.406 + 1039.898 = 1771.304
2047: 744.121 + 1027.290 = 1771.411
----------------------------------------
----- accounting info -----
Files used on the parent node crusher003 were:
Thu 03 Aug 2023 11:42:40 PM EDT
4.559u 7.580s 30:05.92 0.6% 0+0k 18358+1824io 56pf+0w