[gmx-users] Running two separate mdrun instances on a single workstation
pall.szilard at gmail.com
Fri Sep 18 12:30:11 CEST 2015
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.
On Fri, Sep 18, 2015 at 11:59 AM, Deva Priya <devapriyachem at gmail.com>
> 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.
> I hope I can get some advice on how to fix this, so that both simulations
> can share the hardware efficiently.
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