[gmx-users] strange GPU load distribution

[Alex]

Strange. There are only two people using this machine, myself being one of
them, and the other person specifically forces -nb cpu -pme cpu in his
calls to mdrun. Are any other GMX utilities (e.g. insert-molecules, grompp,
or energy) trying to use GPUs?

Thanks,

Alex

On Fri, Apr 27, 2018 at 5:33 AM, Szilárd Páll <pall.szilard at gmail.com>
wrote:

> 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 <nedomacho at 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
> >
> > --
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