[gmx-users] Using multiple GPU's

paul buscemi pbuscemi at q.com
Fri Aug 10 18:57:58 CEST 2018

Dear Uses,

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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