Re: [AMBER] GPUs and PBSPro

From: Ross Walker <ross.rosswalker.co.uk>
Date: Sun, 06 Jan 2013 20:50:47 -0800

Hi Vijay,

This is not currently possible. Fine grain control of GPU cores, ala CPU
cores is not possible. AMBER will let you run multiple copies on a single
GPU but will simply time-slice execution on the complete GPU. It is not
recommended since the performance hit will likely be poor due to the
overhead of switching tasks in an out. I recommend just running the jobs
sequentially one after the other. The total time to complete all runs will
ultimately be substantially less than if you try to run them sharing a GPU.

All the best
Ross



On 1/6/13 8:05 PM, "Vijay Manickam Achari" <vjrajamany.yahoo.com> wrote:

>Greetings.
>
>Currently I am using GPU Tesla C2075 model to run simulations with
>AMBER12. This model of GPU contains 448 cores.
>Here I am thinking to use PbsPro to run multiple jobs in single GPU,
>where each job only use 64 cores or 128 cores for simulation.
>
>I just wonder if anyone have tried in this way to run multiple jobs in
>AMBER.
>
>I appreciate any reply.
>
>Thank you.
>Regards.
>
>
>
>Vijay Manickam Achari
>(Phd Student c/o Prof Rauzah Hashim)
>Chemistry Department,
>University of Malaya,
>Malaysia
>vjramana.gmail.com
>_______________________________________________
>AMBER mailing list
>AMBER.ambermd.org
>http://lists.ambermd.org/mailman/listinfo/amber



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Received on Sun Jan 06 2013 - 21:00:02 PST
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