While installing Gromacs with GPU+CUDA+MPI I got the error at linking of MPI.
commands:-
cmake .. -DREGRESSIONTEST_DOWNLOAD=ON -DGMX_OPENMP=ON -DGMX_GPU=ON -DGPU_DEPLOYMENT_KIT_ROOT_DIR= -DGMX_BUILD_OWN_FFTW=ON -DGMX_PREFER_STATIC_LIBS=ON -DCMAKE_BUILD_TYPE=Release -DCMAKE_INSTALL_PREFIX= -DGMX_OPENMP=ON -DGMX_MPI=ON -DGMX_BUILD_UNITTESTS=ON -DCMAKE_C_COMPILER=MPICC -DCMAKE_CXX_COMPILER=mpicxx
sudo make (completed successfully)
sudo make install
After 98% completion it showed the error
Please suggest how can I resolve it
Thank you
https://www.youtube.com/watch?v=3vDfmd7u1wU
follow this link it will solve its till due to you ritual technology that secure root access to other folder or download fresh copy after submitting your system log report.
GPU uses virtual technology in series when vector processing overloaded , which configuration you are using. Intel has a lot of problem in virtual technology , test the OS only the system has AMD processor. and tell me error i will try to add script to handle error.latter
Thanks Sandipta Kumar Sahu your reply provided me a new insight. I have removed -DGMX_PREFER_STATIC_LIBS=ON and rebuild OpenMPI with its library.
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