Performance of the H2O-DFT-LS Benchmark on Magnus
| Nodes | Cores | Best time (s) | Config |
|---|---|---|---|
| 64 | 1536 | 277.964 | 1 OMP threads per MPI task |
| 128 | 3072 | 160.309 | 2 OMP threads per MPI task |
| 256 | 6144 | 87.242 | 1 OMP threads per MPI task |
| 512 | 12288 | 47.877 | 2 OMP threads per MPI task |
| 1024 | 24576 | 30.921 | 2 OMP threads per MPI task |
