On 12/3/13 10:23 AM, MUSYOKA THOMMAS wrote:
Dear Users, I am using a cluster of 64 cores to perform my MD simulations using GROMACS version 4.5.5. I would be glad to know the exact mdrun command that will allow me use the available resources.
The answer depends entirely on the architecture of the cluster. Your sys admin should know.
-Justin -- ================================================== Justin A. Lemkul, Ph.D. Postdoctoral Fellow Department of Pharmaceutical Sciences School of Pharmacy Health Sciences Facility II, Room 601 University of Maryland, Baltimore 20 Penn St. Baltimore, MD 21201 jalem...@outerbanks.umaryland.edu | (410) 706-7441 ================================================== -- 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.