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

Kutzner, Carsten ckutzne at gwdg.de
Thu Apr 23 10:05:25 CEST 2015


> 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.


> Best Regards,
> JJ
> -- 
> Gromacs Users mailing list
> * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-request at gromacs.org.

More information about the gromacs.org_gmx-users mailing list