[gmx-users] GPU low performance

[Carmen Di Giovanni]

Daear all,
I'm working on a machine with an INVIDIA Teska K20.
After a minimization on a protein of 1925 atoms this is the mesage:

Force evaluation time GPU/CPU: 2.923 ms/116.774 ms = 0.025
For optimal performance this ratio should be close to 1!


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

Core t (s) Wall t (s) (%)
Time: 3289.010 205.891 1597.4
(steps/hour)
Performance: 8480.2
Finished mdrun on rank 0 Wed Feb 18 15:50:06 2015


Cai I improve the performance?
At the moment in the forum I didn't full informations to solve this problem.
In attachment there is the log. file

thank you in advance
Carmen Di Giovanni


-- 
Carmen Di Giovanni, PhD
Dept. of Pharmaceutical and Toxicological Chemistry
"Drug Discovery Lab"
University of Naples "Federico II"
Via D. Montesano, 49
80131 Naples
Tel.: ++39 081 678623
Fax: ++39 081 678100
Email: cdigiova at unina.it


Carmen Di Giovanni, PhD
Postdoctoral Researcher
Dept. of Pharmacy
"Drug Discovery Lab"
University of Naples "Federico II"
Via D. Montesano, 49
80131 Naples
Tel.: ++39 081 678623
Fax: ++39 081 678100
Email: cdigiova at unina.it