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No virial loss is outputted even when start_pref_v and limit_pref_v are changed to non-zero values.
start_pref_v
limit_pref_v
v3.0.0a0-28-ged831c88-dirty
PT v2.2.0+cu121-g8ac9b20d4b0
From source
lcurve.out doesn't show anything for virial.
lcurve.out
# step rmse_val rmse_trn rmse_e_val rmse_e_trn rmse_f_val rmse_f_trn lr 0 2.76e+01 2.61e+01 5.67e-01 9.28e-01 8.72e-01 8.25e-01 1.0e-03 100 9.46e+00 9.62e+00 1.87e-01 2.06e-01 2.99e-01 3.04e-01 1.0e-03
start_pref_v and limit_pref_v are changed to
diff --git a/examples/water/se_e2_a/input_torch.json b/examples/water/se_e2_a/input_torch.json index fe424afe..b41cd35b 100644 --- a/examples/water/se_e2_a/input_torch.json +++ b/examples/water/se_e2_a/input_torch.json @@ -49,6 +49,8 @@ "limit_pref_e": 1, "start_pref_f": 1000, "limit_pref_f": 1, + "start_pref_v": 1, + "limit_pref_v": 1, "_comment": " that's all" }, "training": {
Then run
cd examples/water/se_e2_a dp --pt train input_torch.json
No response
The text was updated successfully, but these errors were encountered:
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pt: fix loss training when no data available (#3571)
dc14719
Fix #3482 and #3483.
iProzd
No branches or pull requests
Bug summary
No virial loss is outputted even when
start_pref_v
andlimit_pref_v
are changed to non-zero values.DeePMD-kit Version
v3.0.0a0-28-ged831c88-dirty
TensorFlow Version
PT v2.2.0+cu121-g8ac9b20d4b0
How did you download the software?
From source
Input Files, Running Commands, Error Log, etc.
lcurve.out
doesn't show anything for virial.Steps to Reproduce
start_pref_v
andlimit_pref_v
are changed toThen run
cd examples/water/se_e2_a dp --pt train input_torch.json
Further Information, Files, and Links
No response
The text was updated successfully, but these errors were encountered: