you can only use 1 CPU core with 1 GPU when using AMBER.
I guess that simplifies your problem :)
On Sun, Apr 7, 2013 at 12:17 AM, Neha Gandhi <n.gandhiau.gmail.com> wrote:
> Dear List,
>
> I am trying to run NPT simualtions on C2070 GPU hardware (6GB Memory). The
> cluster has 1 GPU and 12 CPUs per node.
>
> What would be the optimal number of CPUs required for AMBER12 job per GPU
> per node to achieve maxmum performance?
>
> YOur feedback is appreciated.
> --
> Regards,
> Dr. Neha S. Gandhi,
> Curtin Research Fellow,
> School of Biomedical Sciences,
> Curtin University,
> Perth GPO U1987
> Australia
> LinkedIn
> Research Gate
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>
--
Aron Broom M.Sc
PhD Student
Department of Chemistry
University of Waterloo
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Received on Sat Apr 06 2013 - 22:30:02 PDT
