[gmx-users] NVIDIA GTX cards in Rackable servers, how do you do it ?

Harry Mark Greenblatt harry.greenblatt at weizmann.ac.il
Tue Feb 24 14:13:48 CET 2015


Dear David,

Hey Harry,

Thanks for the caveat. Carsten Kutzner posted these results a few days ago.
This is what he said :

I never benchmarked 64-core AMD nodes with GPUs. With a 80 k atoms test
system using a 2 fs time step I get
24 ns/d on 64 AMD   cores 6272
16 ns/d on 32 AMD   cores 6380
36 ns/d on 32 AMD   cores 6380   with 1x GTX 980
40 ns/d on 32 AMD   cores 6380   with 2x GTX 980
27 ns/d on 20 Intel cores 2680v2
52 ns/d on 20 Intel cores 2680v2 with 1x GTX 980
62 ns/d on 20 Intel cores 2680v2 with 2x GTX 980

I think 20 Intel cores means 2 x 10 cores each.

Yes, the 2680v2 is a 10 core processor.  The "interference" I mentioned is not apparent across sockets, only within.

But Szilard just mentioned in this same thread :

If you can afford them get the 14/16 or 18 core v3 Haswells, those are
*really* fast, but a pair can cost as much as a decent car.

Perhaps he has seen some real results that do not show issues at 16 or 18 cores/socket, in which case they would be advantageous, if one can afford them.  I am only going on what the manager of our cluster mentioned to me in his tests.  But his tests were based on many different software packages, so perhaps Gromacs is less/not affected.



Harry M. Greenblatt

Associate Staff Scientist

Dept of Structural Biology

Weizmann Institute of Science        Phone:  972-8-934-3625

234 Herzl St.                        Facsimile:   972-8-934-4159

Rehovot, 76100


Harry.Greenblatt at weizmann.ac.il<mailto:Harry.Greenblatt at weizmann.ac.il>

More information about the gromacs.org_gmx-users mailing list