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For submitting jobs, another possibility is to use the Launcher_GPU module and bind each run/task to one gpu. For this, remember to set the '--cpus-per-task' as the total number of cpus divided by the number of '--tasks-per-node'. The example bellow, runs 8 jobs in parallel as required when using Aries, the job will simultaneously use all 8 GPUs on each node. To do this, we will run 8 simulations, each on a single GPU. For this, OpenMM was loaded as module.
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