[gmx-users] GPU-based workstation

James Starlight jmsstarlight at gmail.com
Fri May 24 13:17:11 CEST 2013

Dear Gromacs Users!

I'd like to build new workstation for performing simulation on GPU with
Gromacs 4.6 native cuda support.
Recently I've used such setup with  Core i5 cpu and nvidia 670 GTX video
and obtain good performance ( ~ 20 ns\day for typical 60.000 atom system
with SD integrator)

Now I'd like to build multi-gpu wokstation.

My question - How much GPU would give me best performance on the typical
home-like workstation. What algorithm of Ncidia GPU integration should I
use (e.g SLI etc) ?

Thanks for help,


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