[gmx-users] Gomacs and multiple GPU

[Mark Abraham]

Hi,

On Wed, Nov 30, 2016 at 5:38 PM Alexis Michon <alexis.michon at ibcp.fr> wrote:

> Hello,
>
> We have build gromacs 2016.1 from source with "DMX_GPU=on" on a bi
> processor bi GPU machine, mdrun detect and run fine on only 1 GPU. How
> could we force mdrun to detect the second GPU ?
>

If it's compatible, powered and supported by your driver, then mdrun will
find it. Presumably nvidia-smi tool will help you work out what's going on.

We would like to run 2 mdrun instances on a machine equiped with 2 GPUs,
> each mdrun will use 1GPU. How could we tell  mdrun to use a specific GPU ?
>

Guidance is here
http://manual.gromacs.org/documentation/2016.1/user-guide/mdrun-performance.html#examples-for-mdrun-on-one-node

Mark


> Cheers,
> Alexis
>
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> Citation : "It’s not enough to be busy; so are the ants. The question is:
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> Alexis MICHON, responsable informatique
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