From: Phil Greer (pgreer_at_structbio.pitt.edu)
Date: Tue Aug 19 2014 - 11:10:28 CDT
In the apoa1.namd file edit the numsteps parameter to 10000 or higher.
-Phil Greer
On Aug 19, 2014, at 11:48 AM, Maxime Boissonneault <maxime.boissonneault_at_calculquebec.ca> wrote:
> Hi,
> I am running the apoa1 benchmark on our GPU cluster. Each node has 8 GPUs and 20 cores. I am compiling Namd with MPI and SMP support. It seems I reach a limit of about ~0.01s/step with one node, and cannot go quicker with more than one node.
>
> Is there a larger benchmark out there that would scale better on this type of system ?
>
> Thanks,
>
> --
> ---------------------------------
> Maxime Boissonneault
> Analyste de calcul - Calcul Québec, Université Laval
> Ph. D. en physique
>
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