[gmx-developers] Trying to understand performance issue - due to all threads pinning to first core?

[Shirts, Michael (mrs5pt)]

> you can use -nopin but you will get slightly lower performance.

Ah, great!  I'll try this.  I didn't see this documented on the page --
perhaps it should be added -- if, of course, I didn't just miss it.

> You can
> also use pinoffset and number the different gromacs instances you are
> running any way you wish. Most programs don't pin so it is unlikely that it
> going to conflict with other programs if you are running both Gromacs and
> other programs.

But that doesn't solve situations where I have four students plus myself all
submitting Gromacs runs to the same cluster :)

Best,
~~~~~~~~~~~~
Michael Shirts
Assistant Professor
Department of Chemical Engineering
University of Virginia
michael.shirts at virginia.edu
(434)-243-1821