[gmx-users] Performance of GPU Workstation (GPU selection)

mail at 2718-mail.de mail at 2718-mail.de
Wed Dec 3 22:36:51 CET 2014

Dear gromacs Users,

We are currently considering to build a GPU Workstation for Gromacs  

Our typical Systems  consist of ~3000 Atoms(~30 per Molecule) solvated  
in 10000-40000 tip4p water molecules.

We thought about getting a dual Processor node( E5-2630v3 or 2640  
(Hasswell, dual 8 Core with 2.4 or 2.8Ghz)) and 4 GTX 780.

Anny remarks about this setup? What performance could be expected from  
such a system?

Here I've uploaded an example input, if anyoneme with a similar system  
would be kind enough to run a short benchmark?


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