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

Jingjie jyeo1 at e.ntu.edu.sg
Fri Apr 24 12:44:37 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


Best Regards,



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