[gmx-users] strange GPU load distribution

Szilárd Páll pall.szilard at gmail.com
Fri Apr 27 13:33:29 CEST 2018


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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