Bug summary
In the PyTorch backend, the loss of the last step is not printed in lcurve.out.
DeePMD-kit Version
3939786
Backend and its version
PT ver: v2.3.1+cu121-gd44533f9d07
How did you download the software?
Built from source
Input Files, Running Commands, Error Log, etc.
When the training step is set to 1000,
# step rmse_val rmse_trn rmse_e_val rmse_e_trn rmse_f_val rmse_f_trn lr
# If there is no available reference data, rmse_*_{val,trn} will print nan
0 2.54e+01 2.51e+01 7.16e-01 1.03e+00 8.01e-01 7.92e-01 1.0e-03
100 7.69e+00 7.79e+00 2.42e-02 1.29e-03 4.03e-01 4.09e-01 3.6e-04
200 3.76e+00 3.72e+00 1.83e-02 2.34e-02 3.26e-01 3.23e-01 1.3e-04
300 2.22e+00 2.21e+00 1.10e-02 2.69e-03 3.18e-01 3.18e-01 4.8e-05
400 1.36e+00 1.30e+00 2.79e-03 3.29e-03 3.18e-01 3.04e-01 1.7e-05
500 7.98e-01 9.00e-01 2.19e-03 2.98e-03 2.96e-01 3.34e-01 6.2e-06
600 5.59e-01 6.10e-01 3.11e-03 3.90e-04 3.08e-01 3.38e-01 2.3e-06
700 4.39e-01 4.43e-01 2.84e-03 9.52e-03 3.24e-01 3.14e-01 8.2e-07
800 3.56e-01 3.42e-01 2.73e-03 2.63e-03 3.10e-01 2.99e-01 3.0e-07
900 3.23e-01 3.29e-01 2.68e-03 6.37e-03 3.04e-01 3.02e-01 1.1e-07
Steps to Reproduce
Go to the water example and set the number of steps to 1000. Train the model.
Further Information, Files, and Links
No response
Bug summary
In the PyTorch backend, the loss of the last step is not printed in
lcurve.out.DeePMD-kit Version
3939786
Backend and its version
PT ver: v2.3.1+cu121-gd44533f9d07
How did you download the software?
Built from source
Input Files, Running Commands, Error Log, etc.
When the training step is set to 1000,
Steps to Reproduce
Go to the water example and set the number of steps to 1000. Train the model.
Further Information, Files, and Links
No response