Copyright (c) 2005-2017 NVIDIA Corporation
Built on Tue_Dec_19_21:36:29_CST_2017
Cuda compilation tools, release 9.1, V9.1.128
when I use clang/clang++ compilers:
clang -v
clang version 6.0.0 (tags/RELEASE_600/final)
Target: x86_64-apple-darwin17.5.0
Thread model: posix
InstalledDir: /usr/local/Cellar/llvm/6.0.0/bin
Found CUDA installation: /usr/local/cuda, version unknown
-- Found OpenMP_C: -fopenmp=libomp (found version "3.1")
-- Found OpenMP_CXX: -fopenmp=libomp (found version "3.1")
-- Found OpenMP: TRUE (found version "3.1")
-- Check for working NVCC/C compiler combination
-- Check for working NVCC/C compiler combination - broken
CMake Error at cmake/gmxManageGPU.cmake:291 (message):
CUDA compiler does not seem to be functional.
-- Configuring incomplete, errors occurred!
when I use llvm-gcc/llvm-g++ or CC/C++ compilers:
c++ -v
Apple LLVM version 9.0.0 (clang-900.0.39.2)
Target: x86_64-apple-darwin17.5.0
Thread model: posix
InstalledDir: /Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/bin
Found CUDA installation: /usr/local/cuda, version unknown
llvm-gcc -v
Apple LLVM version 9.0.0 (clang-900.0.39.2)
Target: x86_64-apple-darwin17.5.0
Thread model: posix
InstalledDir: /Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/bin
Found CUDA installation: /usr/local/cuda, version unknown
-- Could NOT find OpenMP_C (missing: OpenMP_C_FLAGS OpenMP_C_LIB_NAMES) (found version "1.0")
-- Could NOT find OpenMP_CXX (missing: OpenMP_CXX_FLAGS OpenMP_CXX_LIB_NAMES) (found version "1.0")
and when I do make:
[ 3%] Building C object src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/md5.c.o
[ 3%] Built target tng_io_obj
[ 3%] Generating baseversion-gen.c
[ 3%] Building NVCC (Device) object src/gromacs/CMakeFiles/libgromacs.dir/mdlib/nbnxn_cuda/libgromacs_generated_nbnxn_cuda.cu.o
/Users/<user>/Downloads/gromacs-2018.1/src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel_pruneonly.cu(41): error: explicit instantiation definition directive for __global__ functions with clang host compiler is not yet supported
/Users/<user>/Downloads/gromacs-2018.1/src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel_pruneonly.cu(42): error: explicit instantiation definition directive for __global__ functions with clang host compiler is not yet supported
2 errors detected in the compilation of "/var/folders/ls/_pffbhc9613d67c9jh2jhbyr0000gn/T//tmpxft_0001457e_00000000-13_nbnxn_cuda.compute_70.cpp1.ii".
CMake Error at libgromacs_generated_nbnxn_cuda.cu.o.Release.cmake:282 (message):
Error generating file
/Users/<user>/Downloads/gromacs-2018.1/build/src/gromacs/CMakeFiles/libgromacs.dir/mdlib/nbnxn_cuda/./libgromacs_generated_nbnxn_cuda.cu.o
make[2]: *** [src/gromacs/CMakeFiles/libgromacs.dir/mdlib/nbnxn_cuda/libgromacs_generated_nbnxn_cuda.cu.o] Error 1
make[1]: *** [src/gromacs/CMakeFiles/libgromacs.dir/all] Error 2
make: *** [all] Error 2
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