On 3/25/20 2:34 PM, Leandro Bortot wrote:
Dear all,
      I'm running some benchmarks on a shared machine which has 16 GPUs in a
single "node".
      I can specify which GPUs to use with gmx mdrun -gpu_id XYZ. However,
the format of XYZ is a string in which each char is a GPU ID. I can't find
a way to specify, e.g, GPU #15 because -gpu_id 15 is interpreted as GPUs 1
and 5.
      Is there a way around this?

Use a comma-delimited string.

http://manual.gromacs.org/documentation/current/user-guide/mdrun-performance.html#running-mdrun-within-a-single-node

-Justin

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Justin A. Lemkul, Ph.D.
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