Hi, It does sound like a CUDA/MPS setup issue, GROMACS uses relatively small amount of GPU memory, so unless you are using a very skinny GPU or a very large input, it's most likely not a GROMACS issue.
BTW, have you made sure that your GPUs are not in process-exclusive mode? Cheers, -- Szilárd On Fri, Jul 27, 2018 at 9:21 PM Mahmood Naderan <nt_mahm...@yahoo.com> wrote: > Hi > Has anyone run gmx_mpi with MPS? Even with small input files (which are > working fine when MPS is turned off), I get out of memory error from the > GPU device. > Don't know if there is a bug inside cuda or gromacs. I see some other > related topics for other programs. So, it sound like a cuda problem. > If you have worked with MPS, please let me know. > > Regards, > Mahmood > -- > 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.