[gmx-users] Regarding to pme on gpu

[Jimmy Chen]

Hi,

When set -pme gpu in mdrun, only one rank can be set for pme, -npme 1. What
is the reason about only one rank for pme if use gpu to offload. Is it the
limitation or somehow?
I am interesting in any performance improvement is still doable and any
improved plan for gpu kernel of pme and pp. there is no too much different
in pme and pp between 2019.3 and 2020.

Thanks,
Jimmy