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

Jingjie Yeo (IHPC) yeojj at ihpc.a-star.edu.sg
Thu Apr 23 08:19:27 CEST 2015

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?

Best Regards,

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