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For NAMD3 runs, each user could either use 1 GPU at a time or make the selections of GPUs available at md.cybershuttle.org.
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We need a finer grained control on the number of processes, host/process, number of GPUs, number of cores/GPU.
It may be beneficial to a user to use only one GPU, in case a user's job scales inefficiently.
Right now, please restrict jobs to use ONE GPU at a time/job.
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For NAMD3 runs, each user could either use 1 GPU at a time or make the selections of GPUs available at md.cybershuttle.org.
The text was updated successfully, but these errors were encountered: