-- The C compiler identification is GNU 9.3.0 -- The CXX compiler identification is GNU 9.3.0 -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working C compiler: /usr/local/bin/gcc - skipped -- Detecting C compile features -- Detecting C compile features - done -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Check for working CXX compiler: /usr/local/bin/g++ - skipped -- Detecting CXX compile features -- Detecting CXX compile features - done -- Found Python3: /bin/python3.9 (found suitable version "3.9.18", minimum required is "3.7") found components: Interpreter Development Development.Module Development.Embed -- Selected GPU FFT library - cuFFT -- 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_WARN_NO_MISSING_FIELD_INITIALIZERS -- Performing Test CFLAGS_WARN_NO_MISSING_FIELD_INITIALIZERS - 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_NO_MISSING_FIELD_INITIALIZERS -- Performing Test CXXFLAGS_WARN_NO_MISSING_FIELD_INITIALIZERS - 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 xmmintrin.h -- Looking for include file xmmintrin.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 -- 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 -- MPI is not compatible with thread-MPI. Disabling thread-MPI. -- Found MPI_CXX: /usr/local/mpich/lib/libmpicxx.so (found version "3.1") -- Found MPI: TRUE (found version "3.1") found components: CXX -- Using default binary suffix: "_mpi" -- Using default library suffix: "_mpi" -- Looking for pthread.h -- Looking for pthread.h - found -- Performing Test CMAKE_HAVE_LIBC_PTHREAD -- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Failed -- 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 -- Looking for C++ include pthread.h -- Looking for C++ include pthread.h - found -- Performing Test TEST_ATOMICS -- Performing Test TEST_ATOMICS - Success -- Atomic operations found -- Performing Test PTHREAD_SETAFFINITY -- Performing Test PTHREAD_SETAFFINITY - Success -- Detecting best SIMD instructions for this CPU -- Checking for GCC x86 inline asm -- Checking for GCC x86 inline asm - supported -- Detected build CPU features - aes amd apic avx avx2 clfsh cmov cx8 cx16 f16c fma htt lahf misalignsse mmx msr nonstop_tsc pclmuldq pdpe1gb popcnt pse rdrnd rdtscp sha sse2 sse3 sse4a sse4.1 sse4.2 ssse3 -- Detected build CPU brand - AMD EPYC 7352 24-Core Processor -- Detected build CPU family - 23 -- Detected build CPU model - 49 -- Detected best SIMD instructions for this CPU - AVX2_256 -- Performing Test C_mavx2_mfma_FLAG_ACCEPTED -- Performing Test C_mavx2_mfma_FLAG_ACCEPTED - Success -- Performing Test C_mavx2_mfma_COMPILE_WORKS -- Performing Test C_mavx2_mfma_COMPILE_WORKS - Success -- Performing Test CXX_mavx2_mfma_FLAG_ACCEPTED -- Performing Test CXX_mavx2_mfma_FLAG_ACCEPTED - Success -- Performing Test CXX_mavx2_mfma_COMPILE_WORKS -- Performing Test CXX_mavx2_mfma_COMPILE_WORKS - Success -- Enabling 256-bit AVX2 SIMD instructions using CXX flags: -mavx2 -mfma -- Detecting flags to enable runtime detection of AVX-512 units on newer CPUs -- 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_mavx512vl_mavx512dq_mavx512bw_FLAG_ACCEPTED -- Performing Test C_mavx512f_mfma_mavx512vl_mavx512dq_mavx512bw_FLAG_ACCEPTED - Success -- Performing Test C_mavx512f_mfma_mavx512vl_mavx512dq_mavx512bw_COMPILE_WORKS -- Performing Test C_mavx512f_mfma_mavx512vl_mavx512dq_mavx512bw_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_mavx512vl_mavx512dq_mavx512bw_FLAG_ACCEPTED -- Performing Test CXX_mavx512f_mfma_mavx512vl_mavx512dq_mavx512bw_FLAG_ACCEPTED - Success -- Performing Test CXX_mavx512f_mfma_mavx512vl_mavx512dq_mavx512bw_COMPILE_WORKS -- Performing Test CXX_mavx512f_mfma_mavx512vl_mavx512dq_mavx512bw_COMPILE_WORKS - Success -- Detecting flags to enable runtime detection of AVX-512 units on newer CPUs - -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -- Performing Test _Wno_unused_command_line_argument_FLAG_ACCEPTED -- Performing Test _Wno_unused_command_line_argument_FLAG_ACCEPTED - Success -- 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 -- Found CUDA: /usr/local/cuda (found suitable version "11.0", minimum required is "11.0") -- Adding work-around for issue compiling CUDA code with glibc 2.23 string.h -- Check for working NVCC/C++ compiler combination with nvcc '/usr/local/cuda/bin/nvcc' -- Check for working NVCC/C++ compiler combination - works -- Checking if nvcc accepts flags --generate-code=arch=compute_35,code=sm_35 -- Checking if nvcc accepts flags --generate-code=arch=compute_35,code=sm_35 - Success -- Checking if nvcc accepts flags --generate-code=arch=compute_37,code=sm_37 -- Checking if nvcc accepts flags --generate-code=arch=compute_37,code=sm_37 - Success -- Checking if nvcc accepts flags --generate-code=arch=compute_50,code=sm_50 -- Checking if nvcc accepts flags --generate-code=arch=compute_50,code=sm_50 - Success -- Checking if nvcc accepts flags --generate-code=arch=compute_52,code=sm_52 -- Checking if nvcc accepts flags --generate-code=arch=compute_52,code=sm_52 - Success -- Checking if nvcc accepts flags --generate-code=arch=compute_60,code=sm_60 -- Checking if nvcc accepts flags --generate-code=arch=compute_60,code=sm_60 - Success -- Checking if nvcc accepts flags --generate-code=arch=compute_61,code=sm_61 -- Checking if nvcc accepts flags --generate-code=arch=compute_61,code=sm_61 - Success -- Checking if nvcc accepts flags --generate-code=arch=compute_70,code=sm_70 -- Checking if nvcc accepts flags --generate-code=arch=compute_70,code=sm_70 - Success -- Checking if nvcc accepts flags --generate-code=arch=compute_75,code=sm_75 -- Checking if nvcc accepts flags --generate-code=arch=compute_75,code=sm_75 - Success -- Checking if nvcc accepts flags --generate-code=arch=compute_80,code=sm_80 -- Checking if nvcc accepts flags --generate-code=arch=compute_80,code=sm_80 - Success -- Checking if nvcc accepts flags --generate-code=arch=compute_86,code=sm_86 -- Checking if nvcc accepts flags --generate-code=arch=compute_86,code=sm_86 - Failed -- Checking if nvcc accepts flags --generate-code=arch=compute_89,code=sm_89 -- Checking if nvcc accepts flags --generate-code=arch=compute_89,code=sm_89 - Failed -- Checking if nvcc accepts flags --generate-code=arch=compute_90,code=sm_90 -- Checking if nvcc accepts flags --generate-code=arch=compute_90,code=sm_90 - Failed -- Checking if nvcc accepts flags -Wno-deprecated-gpu-targets -- Checking if nvcc accepts flags -Wno-deprecated-gpu-targets - Success -- Checking if nvcc accepts flags --generate-code=arch=compute_53,code=sm_53 -- Checking if nvcc accepts flags --generate-code=arch=compute_53,code=sm_53 - Success -- Checking if nvcc accepts flags --generate-code=arch=compute_80,code=sm_80 -- Checking if nvcc accepts flags --generate-code=arch=compute_80,code=sm_80 - Success -- Checking if nvcc accepts flags -use_fast_math -- Checking if nvcc accepts flags -use_fast_math - Success -- Checking if nvcc accepts flags -Xptxas;-warn-double-usage -- Checking if nvcc accepts flags -Xptxas;-warn-double-usage - Success -- Checking if nvcc accepts flags -Xptxas;-Werror -- Checking if nvcc accepts flags -Xptxas;-Werror - Success -- Checking for mpi-ext.h header -- Performing Test HAVE_MPI_EXT -- Performing Test HAVE_MPI_EXT - Failed -- Performing Test MPI_SUPPORTS_CUDA_AWARE_DETECTION -- Performing Test MPI_SUPPORTS_CUDA_AWARE_DETECTION - Success -- Checking for MPI_SUPPORTS_CUDA_AWARE_DETECTION - yes -- Detected build CPU vendor - AMD -- Detected build CPU stepping - 0 -- 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 system XDR support -- Checking for system XDR support - not present -- The GROMACS-managed build of FFTW 3 will configure with the following optimizations: --enable-sse2;--enable-avx;--enable-avx2 -- Using external FFT library - FFTW3 build managed by GROMACS -- Looking for sgemm_ -- Looking for sgemm_ - not found -- Looking for sgemm_ -- Looking for sgemm_ - found -- Found BLAS: /usr/lib64/libopenblas.so -- Looking for cheev_ -- Looking for cheev_ - found -- Found LAPACK: /usr/lib64/libopenblas.so;-lpthread;-lm;-ldl -- Found Doxygen: /bin/doxygen (found version "1.8.14") found components: doxygen dot -- Found Python: /bin/python3.9 (found version "3.9.18") found components: Interpreter -- Performing Test HAVE_NO_DEPRECATED_COPY -- Performing Test HAVE_NO_DEPRECATED_COPY - Success -- Performing Test CXXFLAGS_WARN_NOUNDEF -- Performing Test CXXFLAGS_WARN_NOUNDEF - Success -- Performing Test HAS_WARNING_EVERYTHING -- Performing Test HAS_WARNING_EVERYTHING - Failed -- Performing Test HAS_NO_STRINGOP_TRUNCATION -- Performing Test HAS_NO_STRINGOP_TRUNCATION - Success -- Performing Test HAS_NO_REDUNDANT_MOVE -- Performing Test HAS_NO_REDUNDANT_MOVE - Success -- Performing Test HAS_WARNING_NO_CAST_FUNCTION_TYPE_STRICT -- Performing Test HAS_WARNING_NO_CAST_FUNCTION_TYPE_STRICT - Success -- Performing Test HAS_NO_UNUSED -- Performing Test HAS_NO_UNUSED - Success -- Performing Test HAS_NO_UNUSED_PARAMETER -- Performing Test HAS_NO_UNUSED_PARAMETER - Success -- Performing Test HAS_NO_MISSING_DECLARATIONS -- Performing Test HAS_NO_MISSING_DECLARATIONS - Success -- Performing Test HAS_NO_NULL_CONVERSIONS -- Performing Test HAS_NO_NULL_CONVERSIONS - Success -- Looking for inttypes.h -- Looking for inttypes.h - found -- Performing Test HAS_WARNING_NO_ARRAY_BOUNDS -- Performing Test HAS_WARNING_NO_ARRAY_BOUNDS - Success -- Performing Test HAS_WARNING_NO_DEPRECATED_NON_PROTOTYPE -- Performing Test HAS_WARNING_NO_DEPRECATED_NON_PROTOTYPE - Success -- Performing Test COMPILER_HAS_HIDDEN_VISIBILITY -- Performing Test COMPILER_HAS_HIDDEN_VISIBILITY - Success -- Performing Test COMPILER_HAS_HIDDEN_INLINE_VISIBILITY -- Performing Test COMPILER_HAS_HIDDEN_INLINE_VISIBILITY - Success -- Performing Test COMPILER_HAS_DEPRECATED_ATTR -- Performing Test COMPILER_HAS_DEPRECATED_ATTR - Success Downloading: https://ftp.gromacs.org/regressiontests/regressiontests-2023.3.tar.gz -- [download 0% complete] -- [download 1% complete] -- [download 2% complete] -- [download 3% complete] -- [download 4% complete] -- [download 5% complete] -- [download 6% complete] -- [download 7% complete] -- [download 8% complete] -- [download 9% complete] -- [download 10% complete] -- [download 11% complete] -- [download 12% complete] -- [download 13% complete] -- [download 14% complete] -- [download 15% complete] -- [download 16% complete] -- [download 17% complete] -- [download 18% complete] -- [download 19% complete] -- [download 20% complete] -- [download 21% complete] -- [download 22% complete] -- [download 23% complete] -- [download 24% complete] -- [download 25% complete] -- [download 26% complete] -- [download 27% complete] -- [download 28% complete] -- [download 29% complete] -- [download 30% complete] -- [download 31% complete] -- [download 32% complete] -- [download 33% complete] -- [download 34% complete] -- [download 35% complete] -- [download 36% complete] -- [download 37% complete] -- [download 38% complete] -- [download 39% complete] -- [download 40% complete] -- [download 41% complete] -- [download 42% complete] -- [download 43% complete] -- [download 44% complete] -- [download 45% complete] -- [download 46% complete] -- [download 47% complete] -- [download 48% complete] -- [download 49% complete] -- [download 50% complete] -- [download 51% complete] -- [download 52% complete] -- [download 53% complete] -- [download 54% complete] -- [download 55% complete] -- [download 56% complete] -- [download 57% complete] -- [download 58% complete] -- [download 59% complete] -- [download 60% complete] -- [download 61% complete] -- [download 62% complete] -- [download 63% complete] -- [download 64% complete] -- [download 65% complete] -- [download 66% complete] -- [download 67% complete] -- [download 68% complete] -- [download 69% complete] -- [download 70% complete] -- [download 71% complete] -- [download 72% complete] -- [download 73% complete] -- [download 74% complete] -- [download 75% complete] -- [download 76% complete] -- [download 77% complete] -- [download 78% complete] -- [download 79% complete] -- [download 80% complete] -- [download 81% complete] -- [download 82% complete] -- [download 83% complete] -- [download 84% complete] -- [download 85% complete] -- [download 86% complete] -- [download 87% complete] -- [download 88% complete] -- [download 89% complete] -- [download 90% complete] -- [download 91% complete] -- [download 92% complete] -- [download 93% complete] -- [download 94% complete] -- [download 95% complete] -- [download 96% complete] -- [download 97% complete] -- [download 98% complete] -- [download 99% complete] -- [download 100% complete] -- Found Sphinx: /usr/bin/sphinx-build (found suitable version "7.3.0", minimum required is "4.0.0") found components: pygments -- Configuring done -- Generating done -- Build files have been written to: /home/pawan/ceph_data/gromacs-2023.3/build3