[gmx-users] problem: gromacs run on gpu

[Mark Abraham]

Hi,

Making your run stay to the cores it is assigned is always a good idea, and
using -pin on is a good way to do it. If there's more than that job on the
node, then it is more complicated than that. More information here
http://manual.gromacs.org/documentation/2016.3/user-guide/mdrun-performance.html
.

Mark

On Sat, Jul 8, 2017 at 10:25 PM leila karami <karami.leila1 at gmail.com>
wrote:

> *Dear Szilárd ,*
> *Thanx for your answer. *
>
>
> *For the following command, should I use -pin on?*
>
>  gmx_mpi mdrun -nb gpu -v -deffnm  gpu_md -ntomp 32 -gpu_id 0
>
> Best wishes
> --
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