[gmx-users] workstation

Cyril Bauvais cyril.bauvais at gmail.com
Mon Nov 2 16:00:19 CET 2015

Dear gmx users,

I would like to know if you can help me to choose between two bases of
I allready use a i7-6700K and one GTX 980 with gromacs and got good
acceleration with my systems (8ns/day with cpu only and 30ns/day with

I need one more workstation. I can not test these workstations before buy
so I need to estimate what will be the optimal solution (for a reasonnable

1. another workstation with 1 i7-6700 K and two maybe three GTX 980
in this case, the CPU will be able to 'feed' the GPUs ?
should I considere GTX 980 TI ? (i do single precision calcs)

2. a workstation with two Xeon.. so 4 GPUs GTX 980 or GTX 980 TI would give
excellent performance, right ?

any idea or suggestions ?

Best Regards,


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