The second column is PIDs so there is a whole lot more going on there than just a single simulation, single rank using two GPUs. That would be one PID and two entries for the two GPUs. Are you sure you're not running other processes?
-- Szilárd On Thu, Apr 26, 2018 at 5:52 AM, Alex <nedoma...@gmail.com> wrote: > Hi all, > > I am running GMX 2018 with gmx mdrun -pinoffset 0 -pin on -nt 24 -ntmpi 4 > -npme 1 -pme gpu -nb gpu -gputasks 1122 > > Once in a while the simulation slows down and nvidia-smi reports something > like this: > > | 1 12981 C gmx > 175MiB | > | 2 12981 C gmx > 217MiB | > | 2 13083 C gmx > 161MiB | > | 2 13086 C gmx > 159MiB | > | 2 13089 C gmx > 139MiB | > | 2 13093 C gmx > 163MiB | > | 2 13096 C gmx > 11MiB | > | 2 13099 C gmx > 8MiB | > | 2 13102 C gmx > 8MiB | > | 2 13106 C gmx > 8MiB | > | 2 13109 C gmx > 8MiB | > | 2 13112 C gmx > 8MiB | > | 2 13115 C gmx > 8MiB | > | 2 13119 C gmx > 8MiB | > | 2 13122 C gmx > 8MiB | > | 2 13125 C gmx > 8MiB | > | 2 13128 C gmx > 8MiB | > | 2 13131 C gmx > 8MiB | > | 2 13134 C gmx > 8MiB | > | 2 13138 C gmx > 8MiB | > | 2 13141 C gmx > 8MiB | > +----------------------------------------------------------- > ------------------+ > > Then goes back to the expected load. Is this normal? > > Thanks, > > Alex > > -- > 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.