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→Verbs Job
(→Submission Scripts: provide some initial instructions for running with verbs module) |
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This example uses 64 processes in total on 2 nodes, each node running 32 processes, thus fully utilizing its 32 cores. This script assumes full nodes are used, thus ntasks/nodes should be 32 (on graham). For best performance, NAMD jobs should use full nodes. | This example uses 64 processes in total on 2 nodes, each node running 32 processes, thus fully utilizing its 32 cores. This script assumes full nodes are used, thus ntasks/nodes should be 32 (on graham). For best performance, NAMD jobs should use full nodes. | ||
'''NOTE''': The verbs version will not run on cedar because of its different interconnect. Use the MPI version instead. | |||
{{File | {{File | ||
|name=verbs_namd_job.sh | |name=verbs_namd_job.sh | ||