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Could you use replicate command to see if the same performance applies to more atoms? |
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Dear developers,
I have trained a model (dpa1 descriptor) based on the DFT data, but the speed of MD (lammps) is slow (a100, 7000 MD steps need 7 min), and the structure only include 24 atoms, so there are some strategies to improve the speed?
Thanks very much.
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