Speed comparasion running MLIP MD on CPU vs GPU · Files on Ouro
5mo
Speed comparasion running MLIP MD on CPU vs GPU
Not exactly the most rigorous test, but this side-by-side comparison shows the difference between running MD locally (M2 Macbook Air) and on a proper server (g4dn.2xl with T4 GPU). Each log is actually 100 simulation steps too.
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Performance comparison of M3GNet and Graphormer as end-to-end models
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Table S5 from the MatterSim paper: Comparison of property prediction performance for M3GNet and Graphormer models.