[gmx-users] GPU/CPU perfomance loss

[Szilárd Páll]

Hi Justin,

Your run is simply *very* CPU-bound. Your GPU is so much faster than the
CPU that even after increasing the cut-off to 2 nm to shift PME load away
from the CPU, there is still a lot of GPU idling.

For details, please have a look at on of our recent papers, e.g.

http://arxiv.org/abs/1506.00716

http://arxiv.org/abs/1507.00898

Cheers,

--
Szilárd

On Mon, May 9, 2016 at 7:00 PM, Van Zyl, J, Mnr <justinvz at sun.ac.za> <
justinvz at sun.ac.za> wrote:

> Good day,
>
>
> I am running simulations from a workstation and keep getting a gromacs
> note at the end of the run saying "The GPU has >25% less load than the CPU.
> This imbalance causes performance loss."
>
>
> I have read a previous post pertaining to this problem but the only thing
> that seems to increase performance is by changing nstlist from 150 to 20
> however the gromacs note still shows. I will post the log file of that run
> soon however below is the log file of the first run:
>
> http://pastebin.com/3CUDh960
>
>
> Is there anything I can do to increase perfomance or is this simply as
> good as it will get for my system (22467 atoms)?
>
>
> Thanks for the help,
>
> Regards,
>
> Justin van Zyl
>
> [http://pastebin.com/i/facebook.png]<http://pastebin.com/3CUDh960>
>
> md_1.log - Pastebin.com<http://pastebin.com/3CUDh960>
> pastebin.com
>
>
>
>
> Justin van Zyl
> MSc. Candidate
> Department of Chemistry and Polymer Science,
> Stellenbosch University, Private Bag X1 Matieland,
> 7602, South Africa
> Cell: +27 72 9372 755
> justinvz at sun.ac.za<mailto:rueben at sun.ac.za>
> http://www.klumperman-group.net/
>
> --
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