-- The C compiler identification is GNU 7.3.0 -- The CXX compiler identification is GNU 7.3.0 -- Check for working C compiler: /opt/ohpc/pub/compiler/gcc/7.3.0/bin/gcc -- Check for working C compiler: /opt/ohpc/pub/compiler/gcc/7.3.0/bin/gcc -- works -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Detecting C compile features -- Detecting C compile features - done -- Check for working CXX compiler: /opt/ohpc/pub/compiler/gcc/7.3.0/bin/c++ -- Check for working CXX compiler: /opt/ohpc/pub/compiler/gcc/7.3.0/bin/c++ -- works -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Detecting CXX compile features -- Detecting CXX compile features - done -- The C compiler identification is GNU 7.3.0 -- The CXX compiler identification is GNU 7.3.0 -- Check for working C compiler: /opt/ohpc/pub/compiler/gcc/7.3.0/bin/gcc -- Check for working C compiler: /opt/ohpc/pub/compiler/gcc/7.3.0/bin/gcc -- works -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Detecting C compile features -- Detecting C compile features - done -- Check for working CXX compiler: /opt/ohpc/pub/compiler/gcc/7.3.0/bin/c++ -- Check for working CXX compiler: /opt/ohpc/pub/compiler/gcc/7.3.0/bin/c++ -- works -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Detecting CXX compile features -- Detecting CXX compile features - done -- Looking for pthread.h -- Looking for pthread.h - found -- Looking for pthread_create -- Looking for pthread_create - not found -- Looking for pthread_create in pthreads -- Looking for pthread_create in pthreads - not found -- Looking for pthread_create in pthread -- Looking for pthread_create in pthread - found -- Found Threads: TRUE -- Performing Test CXXFLAG_STD_CXX0X -- Performing Test CXXFLAG_STD_CXX0X - Success -- Performing Test CXX11_SUPPORTED -- Performing Test CXX11_SUPPORTED - Success -- Performing Test CXX11_STDLIB_PRESENT -- Performing Test CXX11_STDLIB_PRESENT - Success -- Looking for CL_VERSION_2_2 -- Looking for CL_VERSION_2_2 - not found -- Looking for CL_VERSION_2_1 -- Looking for CL_VERSION_2_1 - not found -- Looking for CL_VERSION_2_0 -- Looking for CL_VERSION_2_0 - not found -- Looking for CL_VERSION_1_2 -- Looking for CL_VERSION_1_2 - found -- Found OpenCL: /usr/local/cuda-9.2/lib64/libOpenCL.so (found version "1.2") -- Found OpenMP_C: -fopenmp (found version "4.5") -- Found OpenMP_CXX: -fopenmp (found version "4.5") -- Found OpenMP: TRUE (found version "4.5") -- Performing Test CFLAGS_EXCESS_PREC -- Performing Test CFLAGS_EXCESS_PREC - Success -- Performing Test CFLAGS_COPT -- Performing Test CFLAGS_COPT - Success -- Performing Test CFLAGS_NOINLINE -- Performing Test CFLAGS_NOINLINE - Success -- Performing Test CXXFLAGS_EXCESS_PREC -- Performing Test CXXFLAGS_EXCESS_PREC - Success -- Performing Test CXXFLAGS_COPT -- Performing Test CXXFLAGS_COPT - Success -- Performing Test CXXFLAGS_NOINLINE -- Performing Test CXXFLAGS_NOINLINE - Success -- Looking for include file unistd.h -- Looking for include file unistd.h - found -- Looking for include file pwd.h -- Looking for include file pwd.h - found -- Looking for include file dirent.h -- Looking for include file dirent.h - found -- Looking for include file time.h -- Looking for include file time.h - found -- Looking for include file sys/time.h -- Looking for include file sys/time.h - found -- Looking for include file io.h -- Looking for include file io.h - not found -- Looking for include file sched.h -- Looking for include file sched.h - found -- Looking for include file regex.h -- Looking for include file regex.h - found -- Looking for gettimeofday -- Looking for gettimeofday - found -- Looking for sysconf -- Looking for sysconf - found -- Looking for nice -- Looking for nice - found -- Looking for fsync -- Looking for fsync - found -- Looking for _fileno -- Looking for _fileno - not found -- Looking for fileno -- Looking for fileno - found -- Looking for _commit -- Looking for _commit - not found -- Looking for sigaction -- Looking for sigaction - found -- Performing Test HAVE_BUILTIN_CLZ -- Performing Test HAVE_BUILTIN_CLZ - Success -- Performing Test HAVE_BUILTIN_CLZLL -- Performing Test HAVE_BUILTIN_CLZLL - Success -- Looking for clock_gettime in rt -- Looking for clock_gettime in rt - found -- Looking for feenableexcept in m -- Looking for feenableexcept in m - found -- Looking for fedisableexcept in m -- Looking for fedisableexcept in m - found -- Checking for sched.h GNU affinity API -- Performing Test sched_affinity_compile -- Performing Test sched_affinity_compile - Success -- Looking for include file mm_malloc.h -- Looking for include file mm_malloc.h - found -- Looking for include file malloc.h -- Looking for include file malloc.h - found -- Looking for include file xmmintrin.h -- Looking for include file xmmintrin.h - found -- Checking for _mm_malloc() -- Checking for _mm_malloc() - supported -- Looking for posix_memalign -- Looking for posix_memalign - found -- Looking for memalign -- Looking for memalign - not found -- Check if the system is big endian -- Searching 16 bit integer -- Looking for sys/types.h -- Looking for sys/types.h - found -- Looking for stdint.h -- Looking for stdint.h - found -- Looking for stddef.h -- Looking for stddef.h - found -- Check size of unsigned short -- Check size of unsigned short - done -- Using unsigned short -- Check if the system is big endian - little endian -- MPI is not compatible with thread-MPI. Disabling thread-MPI. -- Found MPI_C: /opt/ohpc/pub/mpi/openmpi3-gnu7/3.1.0/lib/libmpi.so (found version "3.1") -- Found MPI_CXX: /opt/ohpc/pub/mpi/openmpi3-gnu7/3.1.0/lib/libmpi_cxx.so (found version "3.1") -- Found MPI: TRUE (found version "3.1") -- Checking for MPI_IN_PLACE -- Performing Test MPI_IN_PLACE_COMPILE_OK -- Performing Test MPI_IN_PLACE_COMPILE_OK - Success -- Checking for MPI_IN_PLACE - yes -- Could NOT find Hwloc (missing: HWLOC_LIBRARIES HWLOC_INCLUDE_DIRS) (Required is at least version "1.5") -- Looking for C++ include pthread.h -- Looking for C++ include pthread.h - found -- Atomic operations found -- Performing Test PTHREAD_SETAFFINITY -- Performing Test PTHREAD_SETAFFINITY - Success -- Checking for GCC x86 inline asm -- Checking for GCC x86 inline asm - supported -- Detected build CPU vendor - Intel -- Detected build CPU brand - Intel(R) Xeon(R) W-2145 CPU @ 3.70GHz -- Detected build CPU family - 6 -- Detected build CPU model - 85 -- Detected build CPU stepping - 4 -- Detected build CPU features - aes apic avx avx2 avx512f avx512cd avx512bw avx512vl clfsh cmov cx8 cx16 f16c fma hle htt intel lahf mmx msr nonstop_tsc pcid pclmuldq pdcm pdpe1gb popcnt pse rdrnd rdtscp rtm sse2 sse3 sse4.1 sse4.2 ssse3 tdt x2apic -- Enabling RDTSCP support - detected on the build host -- Checking for 64-bit off_t -- Checking for 64-bit off_t - present -- Checking for fseeko/ftello -- Checking for fseeko/ftello - present -- Checking for SIGUSR1 -- Checking for SIGUSR1 - found -- Checking for pipe support -- Looking for C++ include regex -- Looking for C++ include regex - found -- Checking for system XDR support -- Checking for system XDR support - present -- Detecting best SIMD instructions for this CPU -- Performing Test C_xCORE_AVX512_qopt_zmm_usage_high_FLAG_ACCEPTED -- Performing Test C_xCORE_AVX512_qopt_zmm_usage_high_FLAG_ACCEPTED - Failed -- Performing Test C_xCORE_AVX512_FLAG_ACCEPTED -- Performing Test C_xCORE_AVX512_FLAG_ACCEPTED - Failed -- Performing Test C_mavx512f_mfma_FLAG_ACCEPTED -- Performing Test C_mavx512f_mfma_FLAG_ACCEPTED - Success -- Performing Test C_mavx512f_mfma_COMPILE_WORKS -- Performing Test C_mavx512f_mfma_COMPILE_WORKS - Success -- Performing Test CXX_xCORE_AVX512_qopt_zmm_usage_high_FLAG_ACCEPTED -- Performing Test CXX_xCORE_AVX512_qopt_zmm_usage_high_FLAG_ACCEPTED - Failed -- Performing Test CXX_xCORE_AVX512_FLAG_ACCEPTED -- Performing Test CXX_xCORE_AVX512_FLAG_ACCEPTED - Failed -- Performing Test CXX_mavx512f_mfma_FLAG_ACCEPTED -- Performing Test CXX_mavx512f_mfma_FLAG_ACCEPTED - Success -- Performing Test CXX_mavx512f_mfma_COMPILE_WORKS -- Performing Test CXX_mavx512f_mfma_COMPILE_WORKS - Success -- Detected best SIMD instructions for this CPU - AVX_512 -- Enabling 512-bit AVX-512 SIMD instructions using CXX flags: -mavx512f -mfma -- Performing Test _callconv___vectorcall -- Performing Test _callconv___vectorcall - Failed -- Performing Test _callconv___regcall -- Performing Test _callconv___regcall - Failed -- Performing Test _callconv_ -- Performing Test _callconv_ - Success -- The GROMACS-managed build of FFTW 3 will configure with the following optimizations: --enable-sse2;--enable-avx;--enable-avx2;--enable-avx512 -- Using external FFT library - FFTW3 build managed by GROMACS -- Looking for sgemm_ -- Looking for sgemm_ - not found -- Looking for sgemm_ -- Looking for sgemm_ - not found -- Could NOT find BLAS (missing: BLAS_LIBRARIES) -- Using GROMACS built-in BLAS. -- LAPACK requires BLAS -- A library with LAPACK API not found. Please specify library location. -- Using GROMACS built-in LAPACK. -- Checking for dlopen -- Performing Test HAVE_DLOPEN -- Performing Test HAVE_DLOPEN - Success -- Checking for dlopen - found -- Using dynamic plugins (e.g VMD-supported file formats) -- Checking for suitable VMD version -- VMD plugins not found. Path to VMD can be set with VMDDIR. -- Using default binary suffix: "_mpi" -- Using default library suffix: "_mpi" -- Could not convert sample image, ImageMagick convert can not be used -- Found PythonInterp: /bin/python2.7 (found suitable version "2.7.5", minimum required is "2.7") -- Performing Test HAS_NO_UNUSED_VARIABLE -- Performing Test HAS_NO_UNUSED_VARIABLE - Success -- Found PkgConfig: /bin/pkg-config (found version "0.27.1") -- Could NOT find clFFT (missing: clFFT_INCLUDE_DIR clFFT_LIBRARY) -- Performing Test HAS_NO_UNUSED -- Performing Test HAS_NO_UNUSED - Success -- Performing Test HAS_NO_MISSING_DECL -- Performing Test HAS_NO_MISSING_DECL - Success -- Performing Test HAS_NO_MISSING_PROTO -- Performing Test HAS_NO_MISSING_PROTO - Failed -- Performing Test HAS_NO_MSVC_UNUSED -- Performing Test HAS_NO_MSVC_UNUSED - Failed -- Performing Test HAS_DECL_IN_SOURCE -- Performing Test HAS_DECL_IN_SOURCE - Failed -- Check if the system is big endian -- Searching 16 bit integer -- Using unsigned short -- Check if the system is big endian - little endian -- Looking for inttypes.h -- Looking for inttypes.h - found -- Configuring done CMake Warning: Value of NUMBER_OF_AVX_512_FMA_UNITS contained a newline; truncating -- Generating done CMake Warning: Value of NUMBER_OF_AVX_512_FMA_UNITS contained a newline; truncating -- Build files have been written to: /home/madhu/gromacs/gromacs-2019.1/build