>Have you tried using: >mpirun -np (number of mpi-processes total) -npernode (number of gpus per >node) .
>when you execute mdrun? Not sure if it will do the trick, but it looks like it >may work. What that command should do it limit the number of mpi-process to >the number of gpus (so that each node uses >all of the gpus, one per mpi >process). >-Micholas Hey Micholas, works perfectly. Thanks. Wes -- 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.
