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

Table 4

Results of running time of the approach to equilibrium judgment.

Number of particles	A	B
256	3.698	2.331
512	5.784	4.014
1024	10.653	8.572
2048	18.721	15.371
4096	22.705	19.882
8192	26.873	23.073