Dear all, 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 cd gromacs-2018 mkdir build cd build cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON make make check sudo make install source /usr/local/gromacs/bin/GMXRC 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. Thank you. Cheers, Alex -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
