[gmx-users] Running two separate mdrun instances on a single workstation

[Szilárd Páll]

Hi,

pinoffset 0 and 16 should be correct, these should place threads on what's
shown as "CPU" idx 1-8,17-24 and 9-16,25-32, resp.

Cheers,

--
Szilárd

On Fri, Sep 18, 2015 at 11:59 AM, Deva Priya <devapriyachem at gmail.com>
wrote:

> Hello gmx users,
>
> I have a two-socket (8 physical cores each, and with hyperthreading 32
> cores system) with 2 gpus. I want to run two independent simulations using
> 16 threads and a single GPU.
>
> I tried the -pin on and -pinoffset  0 for the first instance of mdrun and
> -pin on and -pinoffset 8 for the second instance.
>
> However, that did not show all 32 threads active in htop.
>
> Then I tried -pin on -pinoffset 0 and -pin on -pinoffset 16, but still the
> same result.
>
> I noticed in the log file that mdrun selected a logical core stride of 2.
>
> I have attached a snapshot of htop.
>
>
> http://i1381.photobucket.com/albums/ah223/devapriyachem/Screenshot-mdrun_zpsi12o1hmq.png
>
>
>  I hope I can get some advice on how to fix this, so that both simulations
> can share the hardware efficiently.
>
> Thanks,
> --
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