[gmx-users] Running ultiple job in core?

Hardy, Adam ah259 at hw.ac.uk
Thu Nov 19 14:23:24 CET 2015

If you only have the one GPU, then both simulations will be trying to share the GPU resource, so they will not be able to obtain the same performance compared to running them separately. 

The only true solution is to use a second GPU. You may or may not find it useful to run one of your simulations with the GPU and one without, you can force a simulation to run CPU only by using: -nb CPU.


> On 19 Nov 2015, at 02:45, RJ <rajiv at kaist.ac.kr> wrote:
> Hi there,
> I have 24 threads in my PC with one GTX 980Ti GPU. I would like to run two simulation job by assigning 12 threads for each job. I have tried using "-ntomp 12 -ntmpi 1" for mentioning the threads and gpu. However, i couldnt get the similar speed as if run them alone with 12 threads. I have even used "-pin on" but haven't get any significant changes in the speed?
> Its much appreciated if you could provide the hints on it. Thanks a lot.
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