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

[Dario Corrada]

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
tel......: +39 333 5347024
address..: via Benvenuto Cellini, 4 - 20900 Monza IT

"When you have eliminated the impossible, whatever remains, however improbable, must be the truth."
[A.C. Doyle]