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@njzjz could you please help checking the bug? |
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Hi,
I just updated deepmd-kit from v1.3.3 to v2.03 on my local offline workstation, and I can't train a model using
loc_frame
descriptor. When I train the model usingloc_frame
, the code inentrypoints/train.py
checks jdata['sel'], butloc_frame
only hassel_a
andsel_r
.So I made the following changes on my machine:
entrypoints/train.py line 90
descriptor/loc_frame.py line8
Now I can start the training, but lammps crashes when using this model. I also tried converting a model from 1.3.3, also doesn't work in lammps.
Is loc_frame not available in this version? Or do I need to change other codes?
Also, is there any way to check the lammps and deeppot error log?
Thanks,
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