nix log /nix/store/qqm6x10a9i0sd76hf59dfibx0ar5n9jf-gromacs-2023.2.drv

qqm6x10a9i0sd76hf59dfibx0ar5n9jf-gromacs-2023.2.drv.log

Sourcing setup-cuda-hook
Executing setupCUDAToolkitCompilers
@nix { "action": "setPhase", "phase": "unpackPhase" }
unpacking sources
unpacking source archive /nix/store/4bw0qpqmpg2hg762kks3c5gzfbqpn20a-gromacs-2023.2.tar.gz
source root is gromacs-2023.2
setting SOURCE_DATE_EPOCH to timestamp 1689171649 of file gromacs-2023.2/INSTALL
@nix { "action": "setPhase", "phase": "patchPhase" }
patching sources
@nix { "action": "setPhase", "phase": "updateAutotoolsGnuConfigScriptsPhase" }
updateAutotoolsGnuConfigScriptsPhase
@nix { "action": "setPhase", "phase": "configurePhase" }
configuring
fixing cmake files...
cmake flags: -DCMAKE_FIND_USE_SYSTEM_PACKAGE_REGISTRY=OFF -DCMAKE_FIND_USE_PACKAGE_REGISTRY=OFF -DCMAKE_EXPORT_NO_PACKAGE_REGISTRY=ON -DCMAKE_BUILD_TYPE=Release -DBUILD_TESTING=OFF -DCMAKE_INSTALL_LOCALEDIR=/nix/store/j6x5j3w4imm6iic49xflxib5hx6lyayk-gromacs-2023.2/share/locale -DCMAKE_INSTALL_LIBEXECDIR=/nix/store/j6x5j3w4imm6iic49xflxib5hx6lyayk-gromacs-2023.2/libexec -DCMAKE_INSTALL_LIBDIR=/nix/store/j6x5j3w4imm6iic49xflxib5hx6lyayk-gromacs-2023.2/lib -DCMAKE_INSTALL_DOCDIR=/nix/store/j6x5j3w4imm6iic49xflxib5hx6lyayk-gromacs-2023.2/share/doc/Gromacs -DCMAKE_INSTALL_INFODIR=/nix/store/j6x5j3w4imm6iic49xflxib5hx6lyayk-gromacs-2023.2/share/info -DCMAKE_INSTALL_MANDIR=/nix/store/j6x5j3w4imm6iic49xflxib5hx6lyayk-gromacs-2023.2/share/man -DCMAKE_INSTALL_OLDINCLUDEDIR=/nix/store/j6x5j3w4imm6iic49xflxib5hx6lyayk-gromacs-2023.2/include -DCMAKE_INSTALL_INCLUDEDIR=/nix/store/j6x5j3w4imm6iic49xflxib5hx6lyayk-gromacs-2023.2/include -DCMAKE_INSTALL_SBINDIR=/nix/store/j6x5j3w4imm6iic49xflxib5hx6lyayk-gromacs-2023.2/sbin -DCMAKE_INSTALL_BINDIR=/nix/store/j6x5j3w4imm6iic49xflxib5hx6lyayk-gromacs-2023.2/bin -DCMAKE_INSTALL_NAME_DIR=/nix/store/j6x5j3w4imm6iic49xflxib5hx6lyayk-gromacs-2023.2/lib -DCMAKE_POLICY_DEFAULT_CMP0025=NEW -DCMAKE_OSX_SYSROOT= -DCMAKE_FIND_FRAMEWORK=LAST -DCMAKE_STRIP=/nix/store/bxic6j2whyg3z4h2x3xjyqgp7fl83bnp-gcc-wrapper-12.3.0/bin/strip -DCMAKE_RANLIB=/nix/store/bxic6j2whyg3z4h2x3xjyqgp7fl83bnp-gcc-wrapper-12.3.0/bin/ranlib -DCMAKE_AR=/nix/store/bxic6j2whyg3z4h2x3xjyqgp7fl83bnp-gcc-wrapper-12.3.0/bin/ar -DCMAKE_C_COMPILER=gcc -DCMAKE_CXX_COMPILER=g++ -DCMAKE_INSTALL_PREFIX=/nix/store/j6x5j3w4imm6iic49xflxib5hx6lyayk-gromacs-2023.2 -DGMX_SIMD:STRING=SSE4.1 -DGMX_OPENMP:BOOL=TRUE -DBUILD_SHARED_LIBS=ON -DGMX_DOUBLE=ON -DGMX_DEFAULT_SUFFIX=OFF -DGMX_MPI:BOOL=TRUE -DGMX_THREAD_MPI:BOOL=FALSE -DGMX_GPU=CUDA -DCUDA_TOOLKIT_ROOT_DIR=/nix/store/j2afxg45a2am20cf11njhpgsph5vb4hq-cudatoolkit-11.8.0 -DCUDA_HOST_COMPILER=/nix/store/qznjv97d0nc9bk0cnzl979gw7sppyvlx-gcc-wrapper-11.4.0/bin/c++ -DCMAKE_CUDA_HOST_COMPILER=/nix/store/qznjv97d0nc9bk0cnzl979gw7sppyvlx-gcc-wrapper-11.4.0/bin/c++ -DCUDAToolkit_INCLUDE_DIR=/nix/store/j2afxg45a2am20cf11njhpgsph5vb4hq-cudatoolkit-11.8.0/include -DCUDAToolkit_ROOT=/nix/store/j2afxg45a2am20cf11njhpgsph5vb4hq-cudatoolkit-11.8.0;/nix/store/n5jrii13f1ygiy4qyambhjldharfn4dm-cudatoolkit-11.8.0-lib 
-- The C compiler identification is GNU 12.3.0
-- The CXX compiler identification is GNU 12.3.0
-- Detecting C compiler ABI info
-- Detecting C compiler ABI info - done
-- Check for working C compiler: /nix/store/bxic6j2whyg3z4h2x3xjyqgp7fl83bnp-gcc-wrapper-12.3.0/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: /nix/store/bxic6j2whyg3z4h2x3xjyqgp7fl83bnp-gcc-wrapper-12.3.0/bin/g++ - skipped
-- Detecting CXX compile features
-- Detecting CXX compile features - done
-- Could NOT find Python3 (missing: Python3_EXECUTABLE Python3_INCLUDE_DIRS Python3_LIBRARIES Interpreter Development Development.Module Development.Embed) (Required is at least version "3.7")
-- 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
-- Found MPI_CXX: /nix/store/q5655xa0l1jf09yzc94spqg4aavyy28m-openmpi-4.1.5/lib/libmpi_cxx.so (found version "3.1") 
-- Found MPI: TRUE (found version "3.1") found components: CXX 
-- GROMACS library will use OpenMPI 4.1.5
-- Using manually set binary suffix: ""
-- Using manually set library suffix: ""
-- 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
-- Performing Test C_msse4_1_FLAG_ACCEPTED
-- Performing Test C_msse4_1_FLAG_ACCEPTED - Success
-- Performing Test C_msse4_1_COMPILE_WORKS
-- Performing Test C_msse4_1_COMPILE_WORKS - Success
-- Performing Test CXX_msse4_1_FLAG_ACCEPTED
-- Performing Test CXX_msse4_1_FLAG_ACCEPTED - Success
-- Performing Test CXX_msse4_1_COMPILE_WORKS
-- Performing Test CXX_msse4_1_COMPILE_WORKS - Success
-- Enabling SSE4.1 SIMD instructions using CXX flags:  -msse4.1
-- 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
CMake Error at cmake/gmxManageCuda.cmake:39 (message):
  CUDA acceleration is not available in double precision
Call Stack (most recent call first):
  CMakeLists.txt:656 (include)


-- Configuring incomplete, errors occurred!