Error reported when distillation is performed using the se_2_a descriptor #4333
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we cannot visit your job on bohirum. Please paste the inputs and the steps to reproduce the issue. |
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Thank you for your reminder. The specific information of the error is as follows. The input file can refer to GitHub: https://github.com/JiangXiaoMingSan/se_e2_a-error.git |
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It seems that you feed the data with mixed types to a descriptor without mixed types, which is unsupported. I agree that the error message should be improved. |
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We refer to the example of zbl on GitHub(water/zbl) and use the se_2_a descriptor for distillation to report an error:TypeError: DescrptSeA.compute_input_stats() takes 7 positional arguments but 9 were given. Whether I use deepmdkit-b4 or deepmdkit-b3, this error will occur. The error website :https://bohrium.dp.tech/jobs/detail/15319264, The GitHub URL for submitting the script is https://github.com/JiangXiaoMingSan/se_e2_a-error.git. Thank you for your attention to this issue.
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