[gmx-users] Running ultiple job in core?

Szilárd Páll pall.szilard at gmail.com
Thu Nov 19 15:28:21 CET 2015

I suggest you clarify what exactly you want to achieve and share concrete
information log files, otherwise we all have to guess.

BTW, why do you expect "similar speed" with two runs using half the CU
resources and sharing a GPU compared to using a single run that does not
share the GPU (nor CPU with another)?


On Thu, Nov 19, 2015 at 3:45 AM, 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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