[gmx-users] GPU/CPU perfomance loss

[Van Zyl, J, Mnr <justinvz@sun.ac.za>]

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/