Re: [AMBER] Specific GPU for running pmemd.cuda

From: Jerrano Bowleg <jlb1692.msstate.edu>
Date: Fri, 16 Jun 2017 15:03:48 -0500

Hello, Kristin,

I've also had similar problems when using export CUDA_VISIBLE_DEVICS=1. It
seems the gpu id you specified does not match the one in your system. I
noticed for instance that when I specified device 0, it corresponded to gpu
1. The number matching is off.

I did not find a solution to this problem.

On Fri, Jun 16, 2017 at 2:48 PM, Krantzman, Kristin D <KrantzmanK.cofc.edu>
wrote:

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> Greetings Amber Users,
> I am trying to use pmemd.CUDA on different GPU processors using the export
> CUDA_VISIBLE_DEVICES command.
> However, when I type export CUDA_VISIBLE_DEVICES="1" and then try to
> execute pmemd.cuda, I get the error that all CUDA-capable devices are busy
> are unavailable. When I type nvidia-smi, it seems that only one of the
> three GPUS is in use. Does anyone have experience with solving this
> problem?
> Thank you in advance.
> Best, Kristin
> Kristin D. Krantzman
> Professor, Department of Chemistry and Biochemistry
> College of Charleston
> Charleston, SC 29424
> (843) 953-3378
>
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-- 
Jerrano L. Bowleg
PhD Student
Department of Chemistry
Gwaltney Lab- Hand Lab 1126
Mississippi State University
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Received on Fri Jun 16 2017 - 13:30:03 PDT
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