Re: [gmx-users] Regarding to pme on gpu

2020-02-21 Thread Szilárd Páll
Hi. On Tue, Feb 18, 2020 at 5:11 PM Jimmy Chen wrote: > > 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? This is a limitation of the implementation, currently

[gmx-users] Regarding to pme on gpu

2020-02-18 Thread 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. ther

[gmx-users] Regarding to pme on gpu

2020-02-18 Thread 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. ther