Hi, I want to run on How to properly install DeePMD-kit on Google Colab with GPU to avoid "Unrecognized pair style 'deepmd'" error?

[shirinsabokdast70]

Hi,

I trained my potential using the dpa-2 backend and exported the model as a .pth file. Now I'm trying to run LAMMPS with DeePMD on Google Colab (with GPU), but I keep getting the following error:

pair_style deepmd /content/drive/MyDrive/dpa_lmp/model.pth
ERROR: Unrecognized pair style 'deepmd' (src/force.cpp:275)
Last command: pair_style deepmd /content/drive/MyDrive/dpa_lmp/model.pth

I believe this means LAMMPS was not compiled with DeePMD support. Could you please guide me on how to properly install or configure DeePMD-kit with LAMMPS on Google Colab with GPU so I can use the deepmd pair style?

Thanks in advance!

[njzjz]

https://gist.github.com/njzjz/97d9440bb77b25c15579d350b4eefa11

This notebook was created two years ago for an old version, but it should still work for the latest version.