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apoCHARMM performance (ns/day) on different GPUs. System sizes are mentioned in brackets. Architectures in these tests are Volta V100, Ampere A100, and Hopper H100.
| System | V100 | A100 | H100 |
|---|---|---|---|
| APOI (92224) | 120.5 | 172.5 | 246.6 |
| DMPG (291168) | 40.7 | 66.2 | 114.7 |
| STMV (1066628) | 9.8 | 18.7 | 32.5 |
