[gmx-users] compile 2016-beta2 failed

Albert mailmd2011 at gmail.com
Fri Jun 17 21:51:47 CEST 2016


Thanks a lot for such comments.

I specified the path of cicc in my .bashrc as the following:

export PATH=/opt/common/cuda-7.5/nvvm/bin:$PATH

Then compiled it again

cmake .. -DCMAKE_INSTALL_PREFIX=/home/albert/install/gromacs/2016-beta2 
-DGMX_GPU=ON -DGMX_MPI=ON -DCUDA_TOOLKIT_ROOT_DIR=/opt/common/cuda-7.5

make -j32

but it still failed:


[  1%] Built target view_objlib
[  1%] Built target mdrun_objlib
error in open: error in open: error in open: error in open: 
/opt/common/cuda-7.5/bin/../nvvm/libdevice/libdevice.compute_20.10.bc/opt/common/cuda-7.5/bin/../nvvm/libdevice/libdevice.compute_20.10.bc
/opt/common/cuda-7.5/bin/../nvvm/libdevice/libdevice.compute_20.10.bc
/opt/common/cuda-7.5/bin/../nvvm/libdevice/libdevice.compute_20.10.bc

No such file or directoryNo such file or directoryNo such file or directory
ake[2]: *** 
[src/gromacs/CMakeFiles/libgromacs.dir/gpu_utils/./libgromacs_generated_cudautils.cu.o] 
Error 1
make[2]: *** 
[src/gromacs/CMakeFiles/libgromacs.dir/utility/./libgromacs_generated_cuda_version_information.cu.o] 
Error 1
CMake Error at libgromacs_generated_pmalloc_cuda.cu.o.cmake:260 (message):
   Error generating file
/home/albert/Downloads/gromacs-2016-beta2/build/src/gromacs/CMakeFiles/libgromacs.dir/gpu_utils/./libgromacs_generated_pmalloc_cuda.cu.o


make[2]: *** 
[src/gromacs/CMakeFiles/libgromacs.dir/gpu_utils/./libgromacs_generated_pmalloc_cuda.cu.o] 
Error 1
error in open: 
/opt/common/cuda-7.5/bin/../nvvm/libdevice/libdevice.compute_20.10.bc
No such file or directory
CMake Error at libgromacs_generated_nbnxn_cuda.cu.o.cmake:260 (message):
   Error generating file
/home/albert/Downloads/gromacs-2016-beta2/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





On 06/17/2016 09:31 PM, Christopher Neale wrote:
> cicc is a cuda compiler (i.e., nvcc)



More information about the gromacs.org_gmx-users mailing list