* Package: sci-chemistry/gromacs-2021.2 * Repository: gentoo * Maintainer: alexxy@gentoo.org sci-chemistry@gentoo.org * USE: X abi_x86_64 amd64 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 custom-cflags doc elibc_glibc fftw gmxapi gmxapi-legacy hwloc kernel_linux lmfit mpi offensive openmp python_single_target_python3_9 single-precision threads tng userland_GNU * FEATURES: network-sandbox preserve-libs sandbox userpriv usersandbox * Using python3.9 to build >>> Unpacking source... >>> Unpacking gromacs-2021.2.tar.gz to /var/tmp/portage/sci-chemistry/gromacs-2021.2/work >>> Unpacking manual-2021.2.pdf to /var/tmp/portage/sci-chemistry/gromacs-2021.2/work unpack manual-2021.2.pdf: file format not recognized. Ignoring. >>> Source unpacked in /var/tmp/portage/sci-chemistry/gromacs-2021.2/work >>> Preparing source in /var/tmp/portage/sci-chemistry/gromacs-2021.2/work/gromacs-2021.2 ... * Applying gromacs-2020-pytest.patch ... [ ok ] * Applying gromacs-2021-nblib.patch ... [ ok ] * Working in BUILD_DIR: "/var/tmp/portage/sci-chemistry/gromacs-2021.2/work/gromacs-2021.2_build" * Hardcoded definition(s) removed in CMakeLists.txt: * set(CMAKE_INSTALL_PREFIX "/usr/local/gromacs" CACHE STRING "Installation * set(CMAKE_BUILD_TYPE "Release" CACHE STRING "Choose the type of build, op >>> Source prepared. >>> Configuring source in /var/tmp/portage/sci-chemistry/gromacs-2021.2/work/gromacs-2021.2 ... * Configuring for float precision * Working in BUILD_DIR: "/var/tmp/portage/sci-chemistry/gromacs-2021.2/work/gromacs-2021.2_float" cmake -C /var/tmp/portage/sci-chemistry/gromacs-2021.2/work/gromacs-2021.2_float/gentoo_common_config.cmake -G Ninja -DCMAKE_INSTALL_PREFIX=/usr -DGMX_FFT_LIBRARY=fftw3 -DGMX_USE_LMFIT=EXTERNAL -DGMX_X11=yes -DGMX_EXTERNAL_BLAS=no -DGMX_EXTERNAL_LAPACK=no -DGMX_OPENMP=yes -DGMX_COOL_QUOTES=yes -DGMX_USE_TNG=yes -DGMX_BUILD_MANUAL=no -DGMX_HWLOC=yes -DGMX_DEFAULT_SUFFIX=off -DGMX_SIMD=AVX2_256 -DGMX_VMD_PLUGIN_PATH=/usr/lib64/vmd/plugins/*/molfile/ -DBUILD_TESTING=no -DGMX_BUILD_UNITTESTS=no -DPYTHON_EXECUTABLE=/usr/bin/python3.9 -DGMX_DOUBLE=OFF -DGMX_MPI=OFF -DGMX_THREAD_MPI=yes -DGMXAPI=yes -DGMX_INSTALL_LEGACY_API=yes -DGMX_GPU=OFF -DGMX_BINARY_SUFFIX= -DGMX_LIBS_SUFFIX= -DGMX_PYTHON_PACKAGE=no -DCMAKE_BUILD_TYPE=Gentoo -DCMAKE_TOOLCHAIN_FILE=/var/tmp/portage/sci-chemistry/gromacs-2021.2/work/gromacs-2021.2_float/gentoo_toolchain.cmake /var/tmp/portage/sci-chemistry/gromacs-2021.2/work/gromacs-2021.2 loading initial cache file /var/tmp/portage/sci-chemistry/gromacs-2021.2/work/gromacs-2021.2_float/gentoo_common_config.cmake -- The C compiler identification is GNU 11.2.0 -- The CXX compiler identification is GNU 11.2.0 -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working C compiler: /usr/bin/x86_64-pc-linux-gnu-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/bin/x86_64-pc-linux-gnu-g++ - skipped -- Detecting CXX compile features -- Detecting CXX compile features - done -- Found Python3: /var/tmp/portage/sci-chemistry/gromacs-2021.2/temp/python3.9/bin/python3 (found suitable version "3.9.6", minimum required is "3.6") found components: Interpreter -- 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 -- Using manually set binary suffix: "" -- Using manually set library suffix: "" -- Looking for HWLOC -- Looking for hwloc_topology_init -- Looking for hwloc_topology_init - found -- hwloc version: -- Found HWLOC: /usr/lib64/libhwloc.so (found suitable version "2.5.0", minimum required is "1.5") -- Found X11: /usr/include -- Looking for XOpenDisplay in /usr/lib64/libX11.so;/usr/lib64/libXext.so -- Looking for XOpenDisplay in /usr/lib64/libX11.so;/usr/lib64/libXext.so - found -- Looking for gethostbyname -- Looking for gethostbyname - found -- Looking for connect -- Looking for connect - found -- Looking for remove -- Looking for remove - found -- Looking for shmat -- Looking for shmat - found -- Looking for IceConnectionNumber in ICE -- Looking for IceConnectionNumber in ICE - found -- 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 -- Checking for GCC x86 inline asm -- Checking for GCC x86 inline asm - supported -- Detected build CPU vendor - AMD -- Detected build CPU brand - AMD Ryzen 9 5950X 16-Core Processor -- Detected build CPU family - 25 -- Detected build CPU model - 33 -- Detected build CPU stepping - 0 -- 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 -- 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 -- 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_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 -- Detecting flags to enable runtime detection of AVX-512 units on newer CPUs - -mavx512f -mfma -- 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 -- Checking for module 'fftw3f' -- Found fftw3f, version 3.3.9 -- Looking for fftwf_plan_many_dft in /usr/lib64/libfftw3f.so -- Looking for fftwf_plan_many_dft in /usr/lib64/libfftw3f.so - found -- Looking for fftwf_plan_many_dft_r2c in /usr/lib64/libfftw3f.so -- Looking for fftwf_plan_many_dft_r2c in /usr/lib64/libfftw3f.so - found -- Looking for fftwf_plan_many_dft_c2r in /usr/lib64/libfftw3f.so -- Looking for fftwf_plan_many_dft_c2r in /usr/lib64/libfftw3f.so - found -- Looking for fftwf_have_simd_sse in /usr/lib64/libfftw3f.so -- Looking for fftwf_have_simd_sse in /usr/lib64/libfftw3f.so - not found -- Looking for fftwf_have_sse in /usr/lib64/libfftw3f.so -- Looking for fftwf_have_sse in /usr/lib64/libfftw3f.so - not found -- Looking for fftwf_have_simd_sse2 in /usr/lib64/libfftw3f.so -- Looking for fftwf_have_simd_sse2 in /usr/lib64/libfftw3f.so - found -- Using external FFT library - FFTW3 -- Could not convert sample image, ImageMagick convert can not be used. A possible way to fix it can be found here: https://alexvanderbist.com/2018/fixing-imagick-error-unauthorized -- Found Sphinx: /usr/bin/sphinx-build (found suitable version "4.1.2", minimum required is "1.6.1") found components: pygments -- 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_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 -- Performing Test HAS_NO_CLASS_MEMACCESS -- Performing Test HAS_NO_CLASS_MEMACCESS - Success -- Looking for inttypes.h -- Looking for inttypes.h - found -- Performing Test LMFIT_LINKS_OK -- Performing Test LMFIT_LINKS_OK - Success CMake Warning (dev) at /usr/share/cmake/Modules/FindPackageHandleStandardArgs.cmake:438 (message): The package name passed to `find_package_handle_standard_args` (lmfit) does not match the name of the calling package (Lmfit). This can lead to problems in calling code that expects `find_package` result variables (e.g., `_FOUND`) to follow a certain pattern. Call Stack (most recent call first): cmake/FindLmfit.cmake:84 (find_package_handle_standard_args) cmake/gmxManageLmfit.cmake:77 (find_package) src/gromacs/CMakeLists.txt:333 (gmx_manage_lmfit) This warning is for project developers. Use -Wno-dev to suppress it. -- Found lmfit: /usr/include (found version "8.2.2") -- <<< Gentoo configuration >>> Build type Gentoo Install path /usr Compiler flags: C -pipe -march=native -fno-diagnostics-color -O2 C++ -pipe -march=native -fno-diagnostics-color -O2 Linker flags: Executable -Wl,-O1 -Wl,--as-needed -Wl,--defsym=__gentoo_check_ldflags__=0 Module -Wl,-O1 -Wl,--as-needed -Wl,--defsym=__gentoo_check_ldflags__=0 Shared -Wl,-O1 -Wl,--as-needed -Wl,--defsym=__gentoo_check_ldflags__=0 -- Configuring done -- Generating done -- Build files have been written to: /var/tmp/portage/sci-chemistry/gromacs-2021.2/work/gromacs-2021.2_float * Configuring for float precision with mpi * Working in BUILD_DIR: "/var/tmp/portage/sci-chemistry/gromacs-2021.2/work/gromacs-2021.2_float_mpi" cmake -C /var/tmp/portage/sci-chemistry/gromacs-2021.2/work/gromacs-2021.2_float_mpi/gentoo_common_config.cmake -G Ninja -DCMAKE_INSTALL_PREFIX=/usr -DGMX_FFT_LIBRARY=fftw3 -DGMX_USE_LMFIT=EXTERNAL -DGMX_X11=yes -DGMX_EXTERNAL_BLAS=no -DGMX_EXTERNAL_LAPACK=no -DGMX_OPENMP=yes -DGMX_COOL_QUOTES=yes -DGMX_USE_TNG=yes -DGMX_BUILD_MANUAL=no -DGMX_HWLOC=yes -DGMX_DEFAULT_SUFFIX=off -DGMX_SIMD=AVX2_256 -DGMX_VMD_PLUGIN_PATH=/usr/lib64/vmd/plugins/*/molfile/ -DBUILD_TESTING=no -DGMX_BUILD_UNITTESTS=no -DPYTHON_EXECUTABLE=/usr/bin/python3.9 -DGMX_DOUBLE=OFF -DGMX_THREAD_MPI=OFF -DGMX_MPI=ON -DGMX_OPENMM=OFF -DGMXAPI=OFF -DGMX_BUILD_MDRUN_ONLY=ON -DBUILD_SHARED_LIBS=OFF -DGMX_BUILD_MANUAL=OFF -DGMX_BINARY_SUFFIX=_mpi -DGMX_LIBS_SUFFIX=_mpi -DCMAKE_BUILD_TYPE=Gentoo -DCMAKE_TOOLCHAIN_FILE=/var/tmp/portage/sci-chemistry/gromacs-2021.2/work/gromacs-2021.2_float_mpi/gentoo_toolchain.cmake /var/tmp/portage/sci-chemistry/gromacs-2021.2/work/gromacs-2021.2 loading initial cache file /var/tmp/portage/sci-chemistry/gromacs-2021.2/work/gromacs-2021.2_float_mpi/gentoo_common_config.cmake -- The C compiler identification is GNU 11.2.0 -- The CXX compiler identification is GNU 11.2.0 -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working C compiler: /usr/bin/mpicc - 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/bin/x86_64-pc-linux-gnu-g++ - skipped -- Detecting CXX compile features -- Detecting CXX compile features - done -- Found Python3: /var/tmp/portage/sci-chemistry/gromacs-2021.2/temp/python3.9/bin/python3 (found suitable version "3.9.6", minimum required is "3.6") found components: Interpreter -- 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 -- Could NOT find MPI_C (missing: MPI_C_WORKS) -- Found MPI_CXX: /usr/lib64/libmpi_cxx.so (found version "3.1") -- Could NOT find MPI (missing: MPI_C_FOUND) (found version "3.1") CMake Error at cmake/gmxManageMPI.cmake:172 (message): MPI support requested, but no MPI compiler found. Either set the C-compiler (CMAKE_C_COMPILER) to the MPI compiler (often called mpicc), or set the variables reported missing for MPI_C above. Call Stack (most recent call first): CMakeLists.txt:419 (include) -- Configuring incomplete, errors occurred! See also "/var/tmp/portage/sci-chemistry/gromacs-2021.2/work/gromacs-2021.2_float_mpi/CMakeFiles/CMakeOutput.log". See also "/var/tmp/portage/sci-chemistry/gromacs-2021.2/work/gromacs-2021.2_float_mpi/CMakeFiles/CMakeError.log". * ERROR: sci-chemistry/gromacs-2021.2::gentoo failed (configure phase): * cmake failed * * Call stack: * ebuild.sh, line 127: Called src_configure * environment, line 4016: Called cmake_src_configure * environment, line 1710: Called die * The specific snippet of code: * "${CMAKE_BINARY}" "${cmakeargs[@]}" "${CMAKE_USE_DIR}" || die "cmake failed"; * * If you need support, post the output of `emerge --info '=sci-chemistry/gromacs-2021.2::gentoo'`, * the complete build log and the output of `emerge -pqv '=sci-chemistry/gromacs-2021.2::gentoo'`. * The complete build log is located at '/var/log/portage/sci-chemistry:gromacs-2021.2:20210829-062208.log'. * For convenience, a symlink to the build log is located at '/var/tmp/portage/sci-chemistry/gromacs-2021.2/temp/build.log'. * The ebuild environment file is located at '/var/tmp/portage/sci-chemistry/gromacs-2021.2/temp/environment'. * Working directory: '/var/tmp/portage/sci-chemistry/gromacs-2021.2/work/gromacs-2021.2_float_mpi' * S: '/var/tmp/portage/sci-chemistry/gromacs-2021.2/work/gromacs-2021.2'