[gmx-users] GPU/CPU perfomance loss

Van Zyl, J, Mnr <justinvz@sun.ac.za> justinvz at sun.ac.za
Mon May 9 19:00:41 CEST 2016

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:


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,


Justin van Zyl


md_1.log - Pastebin.com<http://pastebin.com/3CUDh960>

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>

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