[gmx-users] Gromacs running on single PC with GPU?

[Mark Abraham]

On 02/04/2015 6:11 am, "RJ" <rajiv at kaist.ac.kr> wrote:
>
> Dear gmx
>
>
> I have PC has 16 processor with GTX460 where i complied successfully by
following the gmx procedure.
> When i run gmx mdrun, it does detects my gpu but i wonder whether its
taking for calculation or not ?
>
>
> Here i get this info while running mdrun
>
>
> Using 1 MPI thread
> Using 16 OpenMP threads
>
>
> 1 GPU detected:
>   #0: NVIDIA GeForce GTX 460, compute cap.: 2.1, ECC:  no, stat:
compatible
>
>
> 1 GPU auto-selected for this run.

"Selected for this run" means being used.

Mark

> Mapping of GPU to the 1 PP rank in this node: #0
>
>
> Its much appreciated if you can give hint on this. Thanks a lot
>
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