Multiple GPU support

[bruno monnet]

Hi,

I'm benchmarking applications like Gromacs and I would like to know if a version (even beta) of OpenMM would allow multiple GPU in the same server ?

Bruno

[Peter Eastman]

Hi Bruno,

OpenMM does not currently make any attempt to use multiple GPUs for a single simulation. You can, however, tell it which GPU to use, so you can run multiple simulations at once each using a different GPU. I don't know if that is useful to you.

Peter

[Soumya Ray]

This is an important topic especially with the possibility of dual-GPU systems coming out soon (early Feb 2011)

I think. A footnote to Bruno's question would be if OpenMM would run on a dual-GPU system like it is a single GPU unit?

This would effectively double the speed.
I am testing on a GTX580 right now and it blazingly fast. Here is what a GTX595 will look like
http://www.thinq.co.uk/2010/11/22/nvidi ... pic-leaks/

[Peter Eastman]

The answer is the same whether the two GPUs are on the same card or on different cards. OpenMM will only use one of them for a simulation, but you can run a separate simulation on each one at the same time.

Peter