How can I obtain the results from the testing process? #3091
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xiaoqi-neu1
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should be in files result.*.out |
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For the water molecule dataset, after testing, I want to plot regression lines for both energy and force. Currently, the screen only displays the MAE result. How can I obtain all the results from the testing process to plot the regression line?
dp train input.json
dp freeze -o graph.pb
dp compress -i graph.pb -o graph-compress.pb
dp test -m graph-compress.pb -s ../data/data_valid -n 40 -d results
DEEPMD INFO # number of test data : 1015
DEEPMD INFO Energy MAE : 1.674906e+02 eV
DEEPMD INFO Energy RMSE : 6.160213e+02 eV
DEEPMD INFO Energy MAE/Natoms : 2.584731e-01 eV
DEEPMD INFO Energy RMSE/Natoms : 9.506501e-01 eV
DEEPMD INFO Force MAE : 1.497496e-02 eV/A
DEEPMD INFO Force RMSE : 2.666862e-02 eV/A
DEEPMD INFO Virial MAE : 3.588804e+00 eV
DEEPMD INFO Virial RMSE : 6.192421e+00 eV
DEEPMD INFO Virial MAE/Natoms : 5.538278e-03 eV
DEEPMD INFO Virial RMSE/Natoms : 9.556206e-03 eV
DEEPMD INFO # -----------------------------------------------
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