Greetings Amber Users,
I am trying to use pmemd.CUDA on different GPU processors using the export CUDA_VISIBLE_DEVICES command.
However, when I type export CUDA_VISIBLE_DEVICES="1" and then try to execute pmemd.cuda, I get the error that all CUDA-capable devices are busy are unavailable. When I type nvidia-smi, it seems that only one of the three GPUS is in use. Does anyone have experience with solving this problem?
Thank you in advance.
Best, Kristin
Kristin D. Krantzman
Professor, Department of Chemistry and Biochemistry
College of Charleston
Charleston, SC 29424
(843) 953-3378
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Received on Fri Jun 16 2017 - 13:00:02 PDT
