[gmx-users] Looking for GPU benchmarks

[Szilárd Páll]

Hi,

The short answer is that you need to turn on the new verlet cut-off scheme.

You read the following wiki pages:
http://www.gromacs.org/Documentation/Acceleration_and_parallelization?highlight=verlet#GPU_acceleration
http://www.gromacs.org/Documentation/Cut-off_schemes?highlight=verlet#How_to_use_the_Verlet_scheme

Cheers,
--
Szilárd

On Tue, Aug 21, 2012 at 10:57 AM, Mathieu38 <mathieu.dubois at bull.net> wrote:
>
> Hi,
>
> I have installed the developement version of GROMACS (4.6) that supports
> multi-GPU. I am not able however to run it since conditions to use GPU are
> quite complicated to me.
>
> I was wondering then, if anyone could provide me with some input files that
> would allow me to compare performance of standard CPU-only version of
> GROMACS, and multiple GPU version.
>
> Thank you very much in advance for your help.
>
> Regards,
>
> Mathieu
>
>
>
> --
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