-- The C compiler identification is GNU 5.4.0 -- The CXX compiler identification is GNU 5.4.0 -- Check for working C compiler: /usr/bin/cc -- Check for working C compiler: /usr/bin/cc -- 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: /usr/bin/c++ -- Check for working CXX compiler: /usr/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 NVIDIA GPUs present in the system -- Number of NVIDIA GPUs detected: 1 -- 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 -- Found CUDA: /usr/local/cuda (found suitable version "8.0", minimum required is "4.0") -- Found NVML: /usr/lib/x86_64-linux-gnu/libnvidia-ml.so -- Checking for GCC x86 inline asm -- Checking for GCC x86 inline asm - supported -- Detecting best SIMD instructions for this CPU -- Detected best SIMD instructions for this CPU - AVX2_256 -- Try OpenMP C flag = [-fopenmp] -- Performing Test OpenMP_FLAG_DETECTED -- Performing Test OpenMP_FLAG_DETECTED - Success -- Try OpenMP CXX flag = [-fopenmp] -- Performing Test OpenMP_FLAG_DETECTED -- Performing Test OpenMP_FLAG_DETECTED - Success -- Found OpenMP: -fopenmp -- Performing Test CFLAGS_WARN -- Performing Test CFLAGS_WARN - Success -- Performing Test CFLAGS_WARN_EXTRA -- Performing Test CFLAGS_WARN_EXTRA - Success -- Performing Test CFLAGS_WARN_REL -- Performing Test CFLAGS_WARN_REL - Success -- 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_WARN -- Performing Test CXXFLAGS_WARN - Success -- Performing Test CXXFLAGS_WARN_EXTRA -- Performing Test CXXFLAGS_WARN_EXTRA - Success -- Performing Test CXXFLAGS_WARN_REL -- Performing Test CXXFLAGS_WARN_REL - 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 posix_memalign -- Looking for posix_memalign - found -- Looking for memalign -- Looking for memalign - not found -- Looking for _aligned_malloc -- Looking for _aligned_malloc - not 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 -- Looking for rsqrt -- Looking for rsqrt - not found -- Looking for rsqrtf -- Looking for rsqrtf - not found -- Looking for sqrtf -- Looking for sqrtf - found -- Looking for clock_gettime in rt -- Looking for clock_gettime in rt - found -- Looking for feenableexcept in m -- Looking for feenableexcept in m - found -- Checking for sched.h GNU affinity API -- Performing Test sched_affinity_compile -- Performing Test sched_affinity_compile - Success -- 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 -- Found LibXml2: /usr/lib/x86_64-linux-gnu/libxml2.so (found version "2.9.3") -- Looking for xmlTextWriterEndAttribute in /usr/lib/x86_64-linux-gnu/libxml2.so -- Looking for xmlTextWriterEndAttribute in /usr/lib/x86_64-linux-gnu/libxml2.so - found -- Looking for include file libxml/parser.h -- Looking for include file libxml/parser.h - found -- Looking for include file pthread.h -- Looking for include file pthread.h - found -- Atomic operations found -- Performing Test PTHREAD_SETAFFINITY -- Performing Test PTHREAD_SETAFFINITY - Success -- Adding work-around for issue compiling CUDA code with glibc 2.23 string.h -- Boost version: 1.58.0 -- Setting build user/date/host/cpu information -- Setting build user & time - OK -- Checking floating point format -- Checking floating point format - IEEE754 (LE byte, LE word) -- 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 -- Checking for isfinite -- Performing Test isfinite_compile_ok -- Performing Test isfinite_compile_ok - Success -- Checking for isfinite - yes -- Checking for _isfinite -- Performing Test _isfinite_compile_ok -- Performing Test _isfinite_compile_ok - Failed -- Checking for _isfinite - no -- Checking for _finite -- Performing Test _finite_compile_ok -- Performing Test _finite_compile_ok - Failed -- Checking for _finite - no -- Performing Test CXXFLAG_STD_CXX0X -- Performing Test CXXFLAG_STD_CXX0X - Success -- Performing Test GMX_CXX11_SUPPORTED -- Performing Test GMX_CXX11_SUPPORTED - Success -- Looking for C++ include regex -- Looking for C++ include regex - not found -- Checking for system XDR support -- Checking for system XDR support - present -- Try C compiler AVX2 flag = [-march=core-avx2] -- Performing Test C_FLAG_march_core_avx2 -- Performing Test C_FLAG_march_core_avx2 - Success -- Performing Test C_SIMD_COMPILES_FLAG_march_core_avx2 -- Performing Test C_SIMD_COMPILES_FLAG_march_core_avx2 - Success -- Try C++ compiler AVX2 flag = [-march=core-avx2] -- Performing Test CXX_FLAG_march_core_avx2 -- Performing Test CXX_FLAG_march_core_avx2 - Success -- Performing Test CXX_SIMD_COMPILES_FLAG_march_core_avx2 -- Performing Test CXX_SIMD_COMPILES_FLAG_march_core_avx2 - Success -- Enabling 256-bit AVX2 SIMD instructions -- 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 -- pkg-config could not detect fftw3f, trying generic detection -- Looking for fftwf_plan_r2r_1d in /usr/local/lib/libfftw3f.so -- Looking for fftwf_plan_r2r_1d in /usr/local/lib/libfftw3f.so - found -- Looking for fftwf_have_simd_sse in /usr/local/lib/libfftw3f.so -- Looking for fftwf_have_simd_sse in /usr/local/lib/libfftw3f.so - not found -- Looking for fftwf_have_sse in /usr/local/lib/libfftw3f.so -- Looking for fftwf_have_sse in /usr/local/lib/libfftw3f.so - not found -- Looking for fftwf_have_simd_sse2 in /usr/local/lib/libfftw3f.so -- Looking for fftwf_have_simd_sse2 in /usr/local/lib/libfftw3f.so - not found -- Looking for fftwf_have_sse2 in /usr/local/lib/libfftw3f.so -- Looking for fftwf_have_sse2 in /usr/local/lib/libfftw3f.so - not found -- Looking for fftwf_have_simd_avx in /usr/local/lib/libfftw3f.so -- Looking for fftwf_have_simd_avx in /usr/local/lib/libfftw3f.so - not found -- Looking for fftwf_have_simd_avx2 in /usr/local/lib/libfftw3f.so -- Looking for fftwf_have_simd_avx2 in /usr/local/lib/libfftw3f.so - not found -- Looking for fftwf_have_simd_avx2_128 in /usr/local/lib/libfftw3f.so -- Looking for fftwf_have_simd_avx2_128 in /usr/local/lib/libfftw3f.so - not found -- Looking for fftwf_have_simd_avx512 in /usr/local/lib/libfftw3f.so -- Looking for fftwf_have_simd_avx512 in /usr/local/lib/libfftw3f.so - not found -- Looking for fftwf_have_simd_avx_128_fma in /usr/local/lib/libfftw3f.so -- Looking for fftwf_have_simd_avx_128_fma in /usr/local/lib/libfftw3f.so - not found -- Looking for fftwf_have_simd_altivec in /usr/local/lib/libfftw3f.so -- Looking for fftwf_have_simd_altivec in /usr/local/lib/libfftw3f.so - not found -- Looking for fftwf_have_simd_neon in /usr/local/lib/libfftw3f.so -- Looking for fftwf_have_simd_neon in /usr/local/lib/libfftw3f.so - not found -- Looking for fftwf_have_simd_vsx in /usr/local/lib/libfftw3f.so -- Looking for fftwf_have_simd_vsx in /usr/local/lib/libfftw3f.so - not found -- Looking for fftwf_have_simd_altivec in /usr/local/lib/libfftw3f.so -- Looking for fftwf_have_simd_altivec in /usr/local/lib/libfftw3f.so - not found -- Looking for fftwf_have_altivec in /usr/local/lib/libfftw3f.so -- Looking for fftwf_have_altivec in /usr/local/lib/libfftw3f.so - not found CMake Warning at cmake/gmxManageFFTLibraries.cmake:88 (message): The fftw library found is compiled without SIMD support, which makes it slow. Consider recompiling it or contact your admin Call Stack (most recent call first): CMakeLists.txt:669 (include) -- Using external FFT library - FFTW3 -- Looking for sgemm_ -- Looking for sgemm_ - found -- A library with BLAS API found. -- Looking for cheev_ -- Looking for cheev_ - found -- A library with LAPACK API found. -- 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 -- Could not compile VMD version check -- Using default binary suffix: "" -- Using default library suffix: "" -- Found PythonInterp: /usr/bin/python (found version "2.7.12") -- Performing Test HAS_NO_UNUSED_VARIABLE -- Performing Test HAS_NO_UNUSED_VARIABLE - Success -- 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 -- Performing Test HAS_NO_UNUSED_PARAMETER -- Performing Test HAS_NO_UNUSED_PARAMETER - Success -- Performing Test HAS_NO_DEPRECATED_REGISTER -- Performing Test HAS_NO_DEPRECATED_REGISTER - Success -- Configuring done -- Generating done -- Build files have been written to: /home/solly/distr/gromacs-5.1.4/gromacs-5.1.4/build