[gmx-users] NTMPI / NTOMP combination: 10 threads not "reasonable" for GROMACS?

Szilárd Páll pall.szilard at gmail.com
Fri May 10 21:12:27 CEST 2019


That is just a hint, if you measured and you are getting better performance
with 10 threads, use that setting. (Also note that the message suggests "4
to 6" rather than "4 or 6" threads).

Do you also get the same note with the 2019 release?

--
Szilárd


On Fri, May 10, 2019 at 6:27 PM Téletchéa Stéphane <
stephane.teletchea at univ-nantes.fr> wrote:

> Le 20/03/2019 à 22:42, Stéphane Téletchéa a écrit :
> > Dear all,
> >
>
> > Those CPUs are 10 cores +HT (so not 4 or 6). Is it only a warning ?
>
> Dear all,
>
> Any answer from core developpers on this, should a file a bug?
>
> Best,
>
> Stéphane
>
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