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NAMD-CUDA, latest benchmarks on small (tiny) systems
All simulations in explicit solvent (TIP3P), full PME electrostatics, 2-1-2 steps, and cutoffs ranging from 8 to 10 Angstrom.
| Number of atoms | Hardware (single node) | nanoseconds per day | days per μs | Adaptive tempering ? |
|---|---|---|---|---|
| 1997 | Q6600 - GTX460 | 75 | 14 | no |
| 3721 | Q6600 - GTX460 | 37 | 27 | no |
| 4785 | i7 - GTX295 | 67 | 15 | no |
| 5493 | Q6600 - GTX460 | 31.3 | 32 | yes |
| 7484 | Q6600 - GTX460 | 23.0 | 44 | yes |
| 7484 | AMD-8cores - GTX570 | 39.5 | 25 | no |
| 8100 | i7 - GTX295 | 25 | 40 | yes |
| 8100 | AMD-8cores - GTX570 | 37 | 27 | yes |
