[gmx-users] GPU error

RAHUL SURESH drrahulsuresh at gmail.com
Mon Mar 25 11:28:18 CET 2019

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Hi

I have a  system with 2 8 core gold processor and 2 1080Ti card. During
mdrun, the job utilize only one GPU card.

Command: gmx_mpi mdrun -v -deffnm md

Trying various command line I could use both the card but end up with very
poor performance.

command: mpirun -np 2 gmx_mpi mdrun -v -deffnm md -gpu_id 01

How to improve the performance of this system?

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