[gmx-users] GPU problem

Chandan Choudhury iitdckc at gmail.com
Tue Jun 4 11:22:52 CEST 2013

Hi Albert,

I think using -nt flag (-nt=16) with mdrun would solve your problem.


Chandan kumar Choudhury
NCL, Pune

On Tue, Jun 4, 2013 at 12:56 PM, Albert <mailmd2011 at gmail.com> wrote:

> Dear:
>  I've got four GPU in one workstation. I am trying to run two GPU job with
> command:
> mdrun -s md.tpr -gpu_id 01
> mdrun -s md.tpr -gpu_id 23
> there are 32 CPU in this workstation. I found that each job trying to use
> the whole CPU, and there are 64 sub job when these two GPU mdrun submitted.
>  Moreover, one of the job stopped after short of running, probably because
> of the CPU issue.
> I am just wondering, how can we distribute CPU when we run two GPU job in
> a single workstation?
> thank you very much
> best
> Albert
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