lammps to run DPA2 and DPA3 #4843
Replies: 7 comments
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Please run or if you have activated the environment, just run |
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Thank you very much for the teacher's explanation. I can run the frozen model - frozen_model.pth of DPA2 through it, but when it comes to the DPA3 model - DPA-3.1-3M.pt (which the official website indicates cannot be frozen), it starts to report this error. |
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FYI @iProzd |
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Teacher, I found the DPA3 file here. Using the code for its direct freezing model, I noticed that it shows this. Is it because the instruction is incorrect? |
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@bawanglong-2 You missed the |
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@bawanglong-2 Please make sure you are using dp in v3.1.0 version (run
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After a Easy installation, I ran the example in the water directory under lmp in the example folder, using the potential file frozen with DPA2 , and encountered an error as shown in the figure. What could be the issue?
DeePMD-kit Version
DeePMD-kit v3.0.3
Backend and its version
As picture show
Python Version, CUDA Version, GCC Version, LAMMPS Version, etc
No response
Details
I run this leading.
About my input :
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