Performance Optimization Model of Molecular Dynamics Simulation Based on Machine Learning and Data Mining Algorithm

Table 2

Force calculation run time results.

Number of particles	A	B
256	6.589	5.513
512	9.723	8.024
1024	12.541	10.416
2048	22.374	16.251
4096	35.413	24.382
8192	41.056	36.737