[gmx-users] Installing gmx_mpi
alexanderwien2k at gmail.com
Fri Mar 16 23:55:39 CET 2018
I have successfully installed gromacs 2018 in my opensuse 42.3 exactly
following the remedy provided in the INSTALL file as below:
tar xfz gromacs-2018.tar.gz
cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON
sudo make install
I have openmpi-2.1.1 and gcc-4.9.4 installed on my PC which has 32 cpu's
(cat /proc/cpuinfo | grep processor | wc -l give 32).
Now, I was wondering how (which lines of commands) I should continue to
have the gmx_mpi version on my PC. I read what has been suggested in the
INSTALL file but I could not understand.
More information about the gromacs.org_gmx-users