[gmx-users] Using multiple GPU's
pbuscemi at q.com
Fri Aug 10 18:57:58 CEST 2018
I’ve been following the examples on http://manual.gromacs.org/documentation/5.1/user-guide/mdrun-performance.html for setting up multiple GP’s but have not succeeded.
Using a single GPU gmx runs well. Nvidia and gmx see the 2 PGUs. and I‘ve tried mdrun with variations of -gpu_id 01, and -ntmpi, but the GPUs are not put to use.
Would someone suggest the proper signals to mdrun for two GPU’s. ?
Running on lilnix-min sarah, I7
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