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

[Jingjie Yeo (IHPC)]

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,
JJ