[gmx-users] Groms 2019.0, simulations using 2 GPUs: RTX 2080Ti

[Mark Abraham]

Hi,

Yes that's expected. If you want to run two simulations in parallel then
you need to follow the advice in the user guide. Two plain calls to gmx
mdrun cannot work usefully.

Mark

On Fri., 13 Dec. 2019, 11:22 Nikhil Maroli, <scinikhil at gmail.com> wrote:

> Initially, I tried to run 2+ jobs in my workstation with multiple GPU, what
> I found is running one simulation at a time is much faster than running in
> parallel.
> You are not going to get equal or exactly half the performance during
> parallel inputs.
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