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While the test seems wrong, it's unclear why this doesn't raise the error to fail the test.
```
2024-06-24T21:21:39.8587714Z source/tests/pt/test_training.py::TestFparam::test_dp_train
2024-06-24…
njzjz updated
2 weeks ago
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### Bug summary
When `rcut` is an int, an error throws: `Expected a value of type 'float' for argument 'rcut' but instead found type 'int'.`
### DeePMD-kit Version
b86165d2f2f49318c8d25fce8c6889bed…
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**What version of protobuf and what language are you using?**
Version: 25.3_1
Language: C++
**What operating system (Linux, Windows, ...) and version?**
Mac, running MacOS 14.4.1 Sonoma
**What …
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Take a deep dive into the DeepMD code-base. We need to understand fundamentally how it works.
- source
- https://github.com/minnervva/deepmd-kit (Original repo: https://github.com/deepmodeling…
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Dear developers,
I parsed my AIMD data with cp2kdata 0.6.4. and found that DeePMD-kit is struggle to train a model with low RMSEs with these data.
Previously, I used the built-in dpdata functions…
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### Bug summary
import dpdata
training_systems = dpdata.LabeledSystem("/deepmd-kit-master/examples/water/data/data_3", fmt = "deepmd/npy")
# print(training_systems["energies"])
predict = train…
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dpdata conversion tool is broken. Write a tool to convert ase data to deepmd format. Follow Mark work for cp2k
https://github.com/ExaMat/cp2k_to_deepmd/blob/648d6d474d22c6564f146b5b9e4b4e9cd12dcead/…
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### Bug summary
Encountered an issue when using the "descriptor": "dpa2" to train a model from scratch for 500k steps and then testing the model on a merged validation dataset. The merged validatio…
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### Summary
The unexpcted error: CUDA_ERROR_INVALID_DEVICE: invalid device ordinal from `dp compress` command.
### DeePMD-kit Version
2.2.9
### Backend and its version
Tensorflow v2.9.0…
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Line: 1871
https://github.com/deepmodeling/deepmd-kit/blob/d48f84a30dd493fb9cd292ce4da9da84387866dc//deepmd/tf/descriptor/se_atten.py#L1868-L1878