[AMBER] problem about pmemd.cuda.MPI

From: ning via AMBER <amber.ambermd.org>
Date: Fri, 10 Nov 2023 08:45:59 +0800 (CST)

Hi amber experts,


      I have a question about how to use pmemd.cuda.MPI for long time simulation. Because, I found that if applying this command like "mpirun -np 8 pmemd.cuda.MPI .... ” to use 8×2080Ti GPU, the simulation performance had been decreased to 12.5% of one GPU. What's wrong about this ？ I just compiled the parallel version as manual guidance. How to fix this problem? Thanks for any suggestions.


Best,
Ning
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Received on Thu Nov 09 2023 - 17:00:03 PST