Re: [AMBER] Multiple simulations on one GPU

From: Piotr Fajer <>
Date: Tue, 29 Oct 2019 16:59:54 +0000


I routinely run 2 pmemd.cuda jobs per GPU with about 20-30% loss versus a single job per GPU. Heavier loading starts being linear because of timesharing. You can follow the GPU loading with nvidia-smi as you know, and the inf files will give you the ns/day throughput.


´╗┐On 10/29/19, 11:56 AM, "Aiden Aceves" <> wrote:

    I have one single and very powerful GPU. Is there a way to run
    multiple simulations
    in parallel on it? I know I could proceed in series, but given that the GPU
    is mostly underutilized in terms of memory and processing power (based on
    its power draw during the run), I thought it might help to run multiple
    simulations simultaneously.
    Aiden Aceves
    AMBER mailing list;!5Xm4_O-4tfk!jIPIMlwvjaNsKndVAqhGtXYkdtaI_Sm4Powvq4ojuvPxCcRSfgjTDNbNeFh7HAU$

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Received on Tue Oct 29 2019 - 10:30:02 PDT
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