[gmx-users] Optimal GPU setup for workstation with Gromacs 5

[Kutzner, Carsten]

Hi,

> On 23 Apr 2015, at 08:03, Jingjie Yeo (IHPC) <yeojj at ihpc.a-star.edu.sg> wrote:
> 
> Dear all,
> 
> My workstation specs are 2 x Intel Xeon E5-2695v2 2.40 GHz, 12 Cores. I would like to combine this with an optimal GPU setup for Gromacs 5 running simulations with millions of atoms. May I know what are the recommended setups? My vendor proposed doing a dual K40 Tesla GPU setup, would that be optimal?
I would propose to put two GTX 980 into that machine instead.
This will give you the same GROMACS performance at a fraction of the price.

Carsten

> 
> Best Regards,
> JJ
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