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MaterSim / PyXtal_FF

Machine Learning Interatomic Potential Predictions
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cuda in NN is not working #14

Closed qzhu2017 closed 4 years ago

qzhu2017 commented 4 years ago

@yanxon If you turn on device=cuda, the following code does not work

https://github.com/qzhu2017/PyXtal_FF/blob/master/examples/SNU-SiO2/so4-full.py

qzhu2017 commented 4 years ago

It is working but if one pick the file from CPU training. This won't work. In general, we don't want to use cuda. Will fix this after #15