rsnt_translations
56,430
edits
NAMD: Difference between revisions
no edit summary
No edit summary |
No edit summary |
||
| Line 74: | Line 74: | ||
== Verbs jobs == <!--T:16--> | == Verbs jobs == <!--T:16--> | ||
These provisional instructions will be refined further once this configuration can be fully tested on the new clusters. | These provisional instructions will be refined further once this configuration can be fully tested on the new clusters. | ||
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/ | 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 <code>ntasks-per-node</code> should be 32 (on Graham). For best performance, NAMD jobs should use full nodes. | ||
<!--T:17--> | <!--T:17--> | ||
| Line 177: | Line 177: | ||
== Verbs-GPU jobs == <!--T:20--> | == Verbs-GPU jobs == <!--T:20--> | ||
These provisional instructions will be refined further once this configuration can be fully tested on the new clusters. | These provisional instructions will be refined further once this configuration can be fully tested on the new clusters. | ||
This example uses 64 processes in total on 2 nodes, each node running 32 processes, thus fully utilizing its 32 cores. Each node uses 2 GPUs, so job uses 4 GPUs in total. This script assumes full nodes are used, thus ntasks/ | This example uses 64 processes in total on 2 nodes, each node running 32 processes, thus fully utilizing its 32 cores. Each node uses 2 GPUs, so job uses 4 GPUs in total. This script assumes full nodes are used, thus <code>ntasks-per-node</code> should be 32 (on Graham). For best performance, NAMD jobs should use full nodes. | ||
<!--T:21--> | <!--T:21--> | ||