Performance of the LiH-HFX Benchmark on Magnus
| Nodes | Cores | Best time (s) | Config |
|---|---|---|---|
| 64 | 1536 | 430.978 | 2 OMP threads per MPI task |
| 128 | 3072 | 225.549 | 1 OMP thread per MPI task |
| 256 | 6144 | 133.076 | 1 OMP thread per MPI task |
| 512 | 12288 | 83.034 | 4 OMP threads per MPI task |
| 1024 | 24576 | 62.075 | 4 OMP threads per MPI task |
