-- The C compiler identification is IntelLLVM 2024.2.0 -- The CXX compiler identification is IntelLLVM 2024.2.0 -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working C compiler: /cvmfs/software.hpc.rwth.de/Linux/RH9/x86_64/intel/sapphirerapids/software/intel-compilers/2024.2.0/compiler/2024.2/bin/icx - 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: /cvmfs/software.hpc.rwth.de/Linux/RH9/x86_64/intel/sapphirerapids/software/intel-compilers/2024.2.0/compiler/2024.2/bin/icpx - skipped -- Detecting CXX compile features -- Detecting CXX compile features - done -- Performing Test CXX17_COMPILES_SIMPLY -- Performing Test CXX17_COMPILES_SIMPLY - Success -- Found Python3: /rwthfs/rz/cluster/home/mh269604/.miniforge3/envs/jube-workflow/bin/python3 (found suitable version "3.13.3", minimum required is "3.7") found components: Interpreter Development Development.Module Development.Embed -- Found OpenMP_C: -fiopenmp -- Found OpenMP_CXX: -fiopenmp -- Found OpenMP: TRUE -- Performing Test CFLAGS_WARN_NO_MISSING_FIELD_INITIALIZERS -- Performing Test CFLAGS_WARN_NO_MISSING_FIELD_INITIALIZERS - Success -- Performing Test CXXFLAGS_WARN_NO_RESERVED_IDENTIFIER -- Performing Test CXXFLAGS_WARN_NO_RESERVED_IDENTIFIER - Success -- Performing Test CXXFLAGS_WARN_NO_MISSING_FIELD_INITIALIZERS -- Performing Test CXXFLAGS_WARN_NO_MISSING_FIELD_INITIALIZERS - Success -- Performing Test CXXFLAGS_NO_UNROLL_WARNING -- Performing Test CXXFLAGS_NO_UNROLL_WARNING - 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: /cvmfs/software.hpc.rwth.de/Linux/RH9/x86_64/intel/sapphirerapids/software/impi/2021.13.0-intel-compilers-2024.2.0/mpi/2021.13/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" -- Performing Test CMAKE_HAVE_LIBC_PTHREAD -- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Success -- 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 apic avx avx2 avx512f avx512cd avx512bw avx512vl avx512bf16 avx512secondFMA clfsh cmov cx8 cx16 f16c fma htt intel lahf mmx msr nonstop_tsc pcid pclmuldq pdcm pdpe1gb popcnt pse rdrnd rdtscp sha sse2 sse3 sse4.1 sse4.2 ssse3 tdt x2apic -- Detected build CPU brand - Intel(R) Xeon(R) Platinum 8468 -- Performing Test C_march_skylake_avx512_FLAG_ACCEPTED -- Performing Test C_march_skylake_avx512_FLAG_ACCEPTED - Success -- Performing Test C_march_skylake_avx512_COMPILE_WORKS -- Performing Test C_march_skylake_avx512_COMPILE_WORKS - Success -- Performing Test CXX_march_skylake_avx512_FLAG_ACCEPTED -- Performing Test CXX_march_skylake_avx512_FLAG_ACCEPTED - Success -- Performing Test CXX_march_skylake_avx512_COMPILE_WORKS -- Performing Test CXX_march_skylake_avx512_COMPILE_WORKS - Success -- Detected best SIMD instructions for this CPU - AVX_512 -- Enabling 512-bit AVX-512 SIMD instructions using CXX flags: -march=skylake-avx512 -- Performing Test _callconv___vectorcall -- Performing Test _callconv___vectorcall - Success -- Detected build CPU vendor - Intel -- Detected build CPU family - 6 -- Detected build CPU model - 143 -- Detected build CPU stepping - 8 -- 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 -- Found MKL at /cvmfs/software.hpc.rwth.de/Linux/RH9/x86_64/intel/sapphirerapids/software/imkl/2024.2.0/mkl/2024.2 -- Looking for DftiCreateDescriptor -- Looking for DftiCreateDescriptor - found -- Using external FFT library - Intel MKL -- Looking for dgemm_ -- Looking for dgemm_ - found -- Looking for cheev_ -- Looking for cheev_ - found -- Performing Test HAS_WARNING_EVERYTHING -- Performing Test HAS_WARNING_EVERYTHING - Success -- Performing Test HAS_WARNING_NO_CPLUSPLUS98_COMPAT -- Performing Test HAS_WARNING_NO_CPLUSPLUS98_COMPAT - Success -- Performing Test HAS_WARNING_NO_CPLUSPLUS98_COMPAT_PEDANTIC -- Performing Test HAS_WARNING_NO_CPLUSPLUS98_COMPAT_PEDANTIC - Success -- Performing Test HAS_WARNING_NO_RETURN_STD_MOVE_IN_CPLUSPLUS11 -- Performing Test HAS_WARNING_NO_RETURN_STD_MOVE_IN_CPLUSPLUS11 - Failed -- Performing Test HAS_WARNING_NO_SOURCE_USED_OPENMP -- Performing Test HAS_WARNING_NO_SOURCE_USED_OPENMP - Success -- Performing Test HAS_WARNING_NO_CPLUSPLUS17_EXTENSIONS -- Performing Test HAS_WARNING_NO_CPLUSPLUS17_EXTENSIONS - Success -- Performing Test HAS_WARNING_NO_DOCUMENTATION_UNKNOWN_COMMAND -- Performing Test HAS_WARNING_NO_DOCUMENTATION_UNKNOWN_COMMAND - Success -- Performing Test HAS_WARNING_NO_COVERED_SWITCH_DEFAULT -- Performing Test HAS_WARNING_NO_COVERED_SWITCH_DEFAULT - Success -- Performing Test HAS_WARNING_NO_SWITCH_ENUM -- Performing Test HAS_WARNING_NO_SWITCH_ENUM - Success -- Performing Test HAS_WARNING_NO_SWITCH_DEFAULT -- Performing Test HAS_WARNING_NO_SWITCH_DEFAULT - Success -- Performing Test HAS_WARNING_NO_EXTRA_SEMI_STMT -- Performing Test HAS_WARNING_NO_EXTRA_SEMI_STMT - Success -- Performing Test HAS_WARNING_NO_WEAK_VTABLES -- Performing Test HAS_WARNING_NO_WEAK_VTABLES - Success -- Performing Test HAS_WARNING_NO_SHADOW -- Performing Test HAS_WARNING_NO_SHADOW - Success -- Performing Test HAS_WARNING_NO_PADDED -- Performing Test HAS_WARNING_NO_PADDED - Success -- Performing Test HAS_WARNING_NO_RESERVED_ID_MACRO -- Performing Test HAS_WARNING_NO_RESERVED_ID_MACRO - Success -- Performing Test HAS_WARNING_NO_DOUBLE_PROMOTION -- Performing Test HAS_WARNING_NO_DOUBLE_PROMOTION - Success -- Performing Test HAS_WARNING_NO_EXIT_TIME_DESTRUCTORS -- Performing Test HAS_WARNING_NO_EXIT_TIME_DESTRUCTORS - Success -- Performing Test HAS_WARNING_NO_GLOBAL_CONSTRUCTORS -- Performing Test HAS_WARNING_NO_GLOBAL_CONSTRUCTORS - Success -- Performing Test HAS_WARNING_NO_DOCUMENTATION -- Performing Test HAS_WARNING_NO_DOCUMENTATION - Success -- Performing Test HAS_WARNING_NO_FORMAT_NONLITERAL -- Performing Test HAS_WARNING_NO_FORMAT_NONLITERAL - Success -- Performing Test HAS_WARNING_NO_USED_BUT_MARKED_UNUSED -- Performing Test HAS_WARNING_NO_USED_BUT_MARKED_UNUSED - Success -- Performing Test HAS_WARNING_NO_FLOAT_EQUAL -- Performing Test HAS_WARNING_NO_FLOAT_EQUAL - Success -- Performing Test HAS_WARNING_CONDITIONAL_UNINITIALIZED -- Performing Test HAS_WARNING_CONDITIONAL_UNINITIALIZED - Success -- Performing Test HAS_WARNING_NO_CONVERSION -- Performing Test HAS_WARNING_NO_CONVERSION - Success -- Performing Test HAS_WARNING_NO_DISABLED_MACRO_EXPANSION -- Performing Test HAS_WARNING_NO_DISABLED_MACRO_EXPANSION - Success -- Performing Test HAS_WARNING_NO_UNUSED_MACROS -- Performing Test HAS_WARNING_NO_UNUSED_MACROS - Success -- Performing Test HAS_WARNING_NO_UNSAFE_BUFFER_USAGE -- Performing Test HAS_WARNING_NO_UNSAFE_BUFFER_USAGE - Success -- Performing Test HAS_WARNING_NO_ZERO_AS_NULL_POINTER_CONSTANT -- Performing Test HAS_WARNING_NO_ZERO_AS_NULL_POINTER_CONSTANT - Success -- Performing Test HAS_WARNING_NO_GNU_ZERO_VARIADIC_MACRO_ARGUMENTS -- Performing Test HAS_WARNING_NO_GNU_ZERO_VARIADIC_MACRO_ARGUMENTS - Success -- Performing Test HAS_WARNING_NO_UNUSED_MEMBER_FUNCTION -- Performing Test HAS_WARNING_NO_UNUSED_MEMBER_FUNCTION - Success -- Found Python: /rwthfs/rz/cluster/home/mh269604/.miniforge3/envs/jube-workflow/bin/python3.1 (found version "3.13.3") found components: Interpreter -- Performing Test HAVE_NO_DEPRECATED_COPY -- Performing Test HAVE_NO_DEPRECATED_COPY - Success -- Performing Test HAS_NO_STRINGOP_TRUNCATION -- Performing Test HAS_NO_STRINGOP_TRUNCATION - Failed -- 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 -- Could NOT find Sphinx: (Required is at least version "4.0.0") (found /home/mh269604/.local/bin/sphinx-build, ) -- Configuring done (26.0s) -- Generating done (31.8s) -- Build files have been written to: /rwthfs/rz/cluster/home/mh269604/jube-workspace/jube_run/000035/000001_build/work/build_gromacs-2024.5