[gmx-users] Simulation Across Mulitple Nodes with GPUs and PME

[Zachary Wehrspan]

Hello,


I have a quick question about how GROMACs 2018.5 distributes GPU resources
across multiple nodes all running one simulation. Reading the
documentation, I think it says that only 1 GPU can be assigned to the PME
calculation. Is it then true if I had 10 nodes each with 4 GPUs all working
on the same simulation only one GPU of the 40 total could be working on the
PME calculation? Or could each node contribute 1 GPU to the PME
calculation? Any help would be gratefully received.


Thanks,

Zachary Wehrspan