Hello I am attempting to run REMD on a single quad-core computer with gromacs 5 (MPI version). I was hoping to run replicas on different threads...I was doing this to step up gromac scripts (make sure they run before I place them in the que!!) that I would then submit to a large "Advance Computing Center" running multiple nodes across multiple computers... However, I have tried but have failed to get REMD to run on my one quad-core computer with Gromacs 5 mpi-version across many threads...Is this even possible?
If so, what are the commands to run it? I have tried "mpirun -np" and "mdrun_mpi -nt" etc... Thanks, Steve -- 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 [email protected].
