search

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
1.41k stars 486 forks source link

[BUG] lmp: error while loading shared libraries: libpnetcdf.so.4: cannot open shared object file: No such file or directory #3923

Closed leeeru1987 closed 6 days ago

leeeru1987 commented 6 days ago

Bug summary

when I installed the offline package deepmdkit v2.2.10 (rebuild on 2024.6.8), and run the lmp -h, I got the error lmp: error while loading shared libraries: libpnetcdf.so.4: cannot open shared object file: No such file or directory

DeePMD-kit Version

v2.2.10

Backend and its version

TensorFlow v2.15.0

How did you download the software?

Offline packages

Input Files, Running Commands, Error Log, etc.

lmp -h

Steps to Reproduce

1, install the off-line package 2.2.10 2, lmp -h lmp: error while loading shared libraries: libpnetcdf.so.4: cannot open shared object file: No such file or directory

Further Information, Files, and Links

No response

njzjz commented 6 days ago

I submitted https://github.com/conda-forge/lammps-feedstock/issues/199 to the upstream repository, but it's fine to pin the libpnetcdf version in the offline package as a workaround.

njzjz commented 6 days ago

The offline package has been rebuilt. The issue of the LAMMPS package itself can be tracked in https://github.com/conda-forge/lammps-feedstock/issues/199, as it is not related to DeePMD-kit codes.