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

[Pragati Sharma]

Thanks Nikhil.
About the second question. It is actually implemented , as you can see the
link below, however I cannot run these commands without error.

https://mailman-1.sys.kth.se/pipermail/gromacs.org_gmx-users/2019-July/126012.html

On Fri, Dec 13, 2019 at 12:28 PM Nikhil Maroli <scinikhil at gmail.com> wrote:

> You can assign part of the core and 1 GPU to one job and another part with
> separate command.
> For ex.
> 1. gmx mdrun -ntmpi XX -ntomp YY  -gpu_id K1
> 2. gmx mdrun -ntmpi XX2 -ntomp YY2 -gpu_id K2
>
> the second part of the question is related to the implementation of such
> calculations in GPU< which is not yet implemented
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