[gmx-users] cpu/gpu utilization

Szilárd Páll pall.szilard at gmail.com
Thu Mar 1 14:53:56 CET 2018

No, that does not seem to help much because the GPU is rather slow at
getting the PME Spread done (there's still 12.6% wait for the GPU to finish
that), and there are slight overheads that end up hurting performance.

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


On Thu, Mar 1, 2018 at 2:22 PM, Mahmood Naderan <nt_mahmood at yahoo.com>

> >- as noted above try offloading only the nonbondeds (or possibly the
> hybrid PME mode -pmefft cpu)
> So, with "-pmefft cpu", I don't see any good impact!
> See the log at https://pastebin.com/RTYaKSne
> I will use other options to see the effect.
> Regards,
> Mahmood

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