[AMBER] Problem about one GPU & multiple CPUs

From: <wumeng.shanghaitech.edu.cn>
Date: Wed, 21 Dec 2016 13:38:21 +0000

    When I used "pmemd.cuda" to response my work, I found that the work just run with one GPU and one CPU, but there are multiple CPUs available. I want to run under one GPU with multiple CPUs, because maybe it will run more efficient. I first tried "mpirun -np xx(CPU numbers) pmemd.cuda -...", the work failed, then I found "pmemd.cuda.MPI" in the manual, but it works with multiple GPUs. I originally consider that "pmemd.cuda" will automaticly call multiple CPUs, but the result is not. Maybe some solutions about this problem I have missed, this problem is still on at present.
    I am looking forward to receiving your reply. Thanks!

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Received on Wed Dec 21 2016 - 06:00:04 PST
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