[gmx-users] low performance 2 GTX 980+ Intel CPU Core i7-5930K 3.5 GHz (2011-3)
jalemkul at vt.edu
Tue Dec 30 19:41:15 CET 2014
On 12/30/14 1:38 PM, Carlos Navarro Retamal wrote:
> Dear Justin,
> Thanks a lot for your reply.
>> You can use the multiple cards to run
>> concurrent simulations on each (provided cooling is adequate to do this).
> I tried that. I launched 2 simulation at the same time, but on each i got the next warning at the end:
>> Force evaluation time GPU/CPU: 3.177 ms/5.804 ms = 0.547
>> For optimal performance this ratio should be close to 1!
>> NOTE: The GPU has >25% less load than the CPU. This imbalance cause
>> performance loss.
> and i got really low performance ( ~ 17ns/day each)
> using the following commands:
>> mdrun -deffnm test1 -gpu_id 0 -v
>> mdrun -deffnm test2 -gpu_id 1 -v
> Is there a better way to perform multiple md simulations at the same time?
In this case, both GPU are probably fighting for CPU resources (note how the CPU
force evaluation is the limiting factor). You'll need to set -pin and
-pinoffset suitably, IIRC. See discussion at
Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
More information about the gromacs.org_gmx-users