Re: [AMBER] accelerated MD on 2 GPU cards

From: Thomas Cheatham <tec3.utah.edu>
Date: Sun, 11 Jan 2015 12:38:13 -0700 (MST)

...and to add to Ross's excellent advice,

> export CUDA_VISIBLE_DEVICES=0
> $AMBERHOME/bin/pmemd.cuda -O -i ... &
> export CUDA_VISIBLE_DEVICES=1
> $AMBERHOME/bin/pmemd.cuda -O -i ... &
wait

Make sure you add a "wait" statement so that the parent job does not just
simply terminate...

--tec3


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Received on Sun Jan 11 2015 - 12:00:04 PST
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