Commit 8bd0daf5 authored by Brandon's avatar Brandon

Add note about trying different node counts.

parent 8527c608
......@@ -30,6 +30,13 @@ module load cp2k/6.1
srun --cpu-bind=cores cp2k.popt -i example.inp
```
## Performance
Performance of cp2k can vary depending on the system size and run type. The
multinode scaling performance of the code depends on the amount of work (or
number of atoms) per MPI rank. It is recommended to try a representative
test case on different number of nodes to see what gives the best performance.
## Support
* [Reference Manual](https://manual.cp2k.org/)
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