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

Zachary Wehrspan zwehrspan at gmail.com
Tue Dec 18 18:04:39 CET 2018


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.


Zachary Wehrspan

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