Hi, I have installed gromacs 5.1 in server which has 4 nodes each with 40 cpus. I am allotted to use only 2 nodes with 80 cpus. after installation when i did sample md run only 20 cpus are being utilized. How can I fully utilize the all 80 CPUs for mdrun.
I have used below cmake command for the installation cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=OFF -DREGRESSIONTEST_PATH=/BiO/BioTools/regressiontests-5.1.1 -DGMX_GPU=ON -DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda -DCMAKE_INSTALL_PREFIX=/Bio/BioTools/gromacs I have not seen any errors during installation. Thanks. -- 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.
