Benchmarking
GPU versus CPU on Abalone
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Time in seconds spent on the one step of Hybrid Monte Carlo.
Step of Hybrid Monte Carlo consists of 512 steps of the fourth order molecular dynamics algorithm. Step of molecular dynamics consists of four substeps, in each of which computes forces.
GPU - GeForce GTX 750 Ti
| water molecules | atoms | Abalone CPU, sec | Ascalaph CPU, sec | Abalone GPU, sec | speed-up to Abalone, x | speed-up to Ascalaph, x |
| 128 | 384 | 4.8 | 7.7 | 1.4 | 3.3 | 5.31 |
| 216 | 648 | 12.7 | 20.4 | 1.7 | 7.4 | 11.8 |
| 512 | 1536 | 64.2 | 105.2 | 3.1 | 20.2 | 33.1 |
| 1264 | 3792 | 361.0 | 595.6 | 10.1 | 35.6 | 58.7 |
| 2000 | 6000 | 866.7 | 1429.0 | 24.7 | 35.0 | 57.7 |
| 4096 | 12288 | 3416.2 | 100.1 | 34.1 |
GPU - GeForce GTX 980
| water molecules | atoms | Abalone CPU, sec | Ascalaph CPU, sec | Abalone GPU, sec | speed-up to Abalone, x | speed-up to Ascalaph, x |
| 128 | 384 | 4.8 | 7.7 | 1.6 | 3.0 | 4.8 |
| 216 | 648 | 12.7 | 20.4 | 1.7 | 7.4 | 12.0 |
| 512 | 1536 | 64.2 | 105.2 | 2.6 | 24.7 | 40.5 |
| 1264 | 3792 | 361.0 | 595.6 | 6.3 | 57.3 | 94.5 |
| 2000 | 6000 | 866.7 | 1429.0 | 12.1 | 71.6 | 118.1 |
| 4096 | 12288 | 3416.2 | 42.2 | 81.0 | ||
| 8000 | 24000 | 13198.9 | 200.0 | 66.0 |
Many thanks to NVIDIA team for the providing equipment for testing.
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