[gmx-users] Poor GPU Performance with GROMACS 5.1.4

Marcelo Depólo marcelodepolo at gmail.com
Thu May 25 14:09:06 CEST 2017


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.


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