hi i installed openmpi and i set -DGMX_MPI=ON in cmake command.
are these casesenough? thanks On Friday, November 29, 2013 7:59 AM, Chandan Choudhury <iitd...@gmail.com> wrote: Dear Eslami, Gromacs 4.6.3 can automatically take up all the cores. If you want to run gromacs across the nodes. Then you need to compile using MPI. Detailed instruction is available here http://www.gromacs.org/Documentation/Installation_Instructions. Chandan -- Chandan kumar Choudhury NCL, Pune INDIA On Fri, Nov 29, 2013 at 3:27 AM, Mahboobeh Eslami <mahboobeh.esl...@yahoo.com> wrote: Hi everybody >i install gromacs 4.6.3 double precision and parallel >what is the best correct command for mdrun_mpi_d on single machine with >multiple processors (core=8) > > >thanks for your help >-- >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. > -- 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.