[gmx-users] Poor GPU Performance with GROMACS 5.1.4

Szilárd Páll pall.szilard at gmail.com
Thu May 25 15:05:36 CEST 2017


On Thu, May 25, 2017 at 2:09 PM, Marcelo Depólo <marcelodepolo at gmail.com> wrote:
> Hi,
>
>
> I had the same struggle benchmarking a similar system last week. Just for
> curiosity, could you tell us the performance you get when sharing your GPU
> with multiple jobs?
>
> In my case (6k atoms + Reaction field + 8 cores 2.2Ghz + TitanX Pascal),
> I've got ~440 ns/day. However, I get ~280 ns/day running 2 jobs and sharing
> the GPU.

I guess you mean 440 ns/day vs 2x280 ns/day. With RF (as the CPU is
waiting for the GPU not having any PME work to do) you might see even
better aggregate performance with more jobs sharing a GPU.

>
> Cheers!
> --
> Marcelo
> --
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