DPA2 potential function problem

deepmodeling / deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics

https://docs.deepmodeling.com/projects/deepmd/

GNU Lesser General Public License v3.0

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DPA2 potential function problem #3858

Closed xwxwshi closed 1 month ago

xwxwshi commented 1 month ago

Summary

I'm running lammps with DPA2's potential function and I get this error and it terminates, can you help me?

DeePMD-kit Version

3.0

Backend and its version

tensorflow 2.16.1

Python Version, CUDA Version, GCC Version, LAMMPS Version, etc

No response

Details

wecom-temp-178265-f65d693b33d7cb6eea9b5c8114b030a6 wecom-temp-476747-706b9ed4e4da362014789014a40633dc

iProzd commented 1 month ago

Which version are you using? Now only built-from-source 2024Q1 branch and devel branch support lammps for DPA2. See 'How to use' section of this page.

njzjz commented 1 month ago

Duplicate of #3428

Zch102xjtumse commented 1 month ago

Duplicate of #3428

Thanks!One small question is,did I just follow the Files changed section to fix?

njzjz commented 4 weeks ago

Thanks!One small question is,did I just follow the Files changed section to fix?

@iProzd has provided a good suggestion: https://github.com/deepmodeling/deepmd-kit/issues/3858#issuecomment-2151897505