[gmx-users] Using multiple GPU's

[Kevin Boyd]

Hi,

Can you post a link to your log file?

Also, what version of gromacs are you using? Make sure that the
documentation you are following corresponds to the right version of
gromacs. If you are using v 5.1 (as the link suggests), strongly consider
upgrading to 2018.

Kevin

On Fri, Aug 10, 2018 at 12:57 PM, paul buscemi <pbuscemi at q.com> wrote:

>
> Dear Uses,
>
> I’ve been following the examples on https://na01.safelinks.
> protection.outlook.com/?url=http%3A%2F%2Fmanual.gromacs.
> org%2Fdocumentation%2F5.1%2Fuser-guide%2Fmdrun-
> performance.html&amp;data=02%7C01%7Ckevin.boyd%40uconn.edu%
> 7Cb67f423cb92a4abac13508d5fee27522%7C17f1a87e2a254eaab9df9d439034
> b080%7C0%7C1%7C636695170968044387&amp;sdata=TBSbmbdU%
> 2F5kxRGsaD1IqLXzEbcJUJ6Kqg7ub%2B%2B9m6xc%3D&amp;reserved=0 for setting up
> multiple GP’s but have not succeeded.
> Using a single GPU gmx runs well.  Nvidia and gmx see the 2 PGUs. and
> I‘ve  tried   mdrun with   variations of  -gpu_id  01,    and -ntmpi, but
> the GPUs are not put to use.
>
> Would someone suggest the proper signals to mdrun for  two GPU’s. ?
>
>   Running on lilnix-min sarah,  I7
>
> thanks
> Paul
> --
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