[gmx-users] Pme on gpu performance

Szilárd Páll szilard.pall at cbr.su.se
Tue Nov 29 22:04:08 CET 2011

Hi Andrzej,

> One more question: will a ratio of gpu/cpu units and cores be of importance
> in next gromacs releases ? at the moment the code uses one core per gpu
> unit, wright ? When the code is gpu parallel how can this change ?

Yes, it will. We use both CPU & GPU and load balance between them. For
optimal performance you'll want up to 4-8 cores/GPU, but ultimately it
depends on the performance of each.


> Thank you
> Andrzej
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