[gmx-users] Best step to run simulation over GPU?

RJ rajiv at kaist.ac.kr
Fri Jul 24 08:48:12 CEST 2015

Dear gmx,

I have a single PC contains 24 threads with GTX 980Ti.

I would like to know how do i run the 3 or 2 simulation in same time with above mentioned PC would have similar speed. I also read about -pin options but couldnt understand well. Moreover i run in default i get this error "The GPU has >25% less load than the CPU. This imbalance causes performance loss".

Its much appreciated if you could provide some info about multi simulation. Thanks.

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