[gmx-users] cpu/gpu utilization

Mahmood Naderan nt_mahmood at yahoo.com
Thu Mar 1 15:34:38 CET 2018

>Again, first and foremost, try running PME on the CPU, your 8-core Ryzen will be plenty fast for that.

Since I am a computer guy and not a chemist, the question may be noob!
What do you mean exactly by running pme on cpu?

You mean "-nb cpu"? or you mean setting cut-off to Group instead of Verlet (latter is used for GPU only)?


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