[gmx-users] an example to test mdrun-gpu x mdrun

Szilárd Páll szilard.pall at cbr.su.se
Mon Oct 4 11:56:25 CEST 2010

> If using Tcoupl and Pcoupl = no and then I can compare mdrun x mdrun-gpu,
> being my gpu ~2 times slower than only one core. Well, I definitely don't
> intended to use mdrun-gpu but I am surprised that it performed that bad (OK,
> I am using a low-end GPU, but sander_openmm seems to work fine and very fast
> on my mbp).

Just for my curiosity, do you mean that sander_openmm is very fast
compared to mdrun/mdrun-gpu, or compared to sander?


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