[gmx-users] Looking for GPU benchmarks

Szilárd Páll szilard.pall at cbr.su.se
Tue Aug 21 22:09:39 CEST 2012


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

You read the following wiki pages:


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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