[gmx-users] How to redirect the calculation load toward GPU

Dario Corrada dario.corrada at gmail.com
Mon Apr 7 16:33:43 CEST 2014


I have a machine with AMD Athlon 64 dual core with an NVIDIA GeForce GTX 
480.

In order to optimize performances I'd like to redirect my calculation 
toward GPU as much as possible.

I tried mdrun -nt 1 -nb gpu ..., but I have obtained such kind of message:

NOTE: The GPU has >25% less load than the CPU. This imbalance causes 
performance loss.

How can I improve mdrun performance?

-- 
Dario CORRADA, PhD
Bioinformatics and Computational Chemistry specialist

URL......: http://it.linkedin.com/in/dariocorrada/
mail.....: dario.corrada at gmail.com
skype....: dario.corrada
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"When you have eliminated the impossible, whatever remains, however improbable, must be the truth."
[A.C. Doyle]



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