hghcomphys / pantea

A Python library for developing machine learning interatomic potentials, based on Google JAX.

Home Page:https://pantea.readthedocs.io

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Prefetching dataset is required to get the better computational performance on GPU

hghcomphys opened this issue · comments

It seems that creating a list object from the RuNNer dataset, instead of using directly the dataset itself, improves the training performance on GPU (not sure about CPU). As it was tested, the issue is related to the persist flag.