models/392/DPA-3.2-5M

[giscus[bot]]

models/392/DPA-3.2-5M

https://www.aissquare.com/models/detail?pageType=models&name=DPA-3.2-5M&id=392

[chenxuhan615]

选择“--model-branch MPGen_OpenCSP”后运行lammps发现下面报错不知道什么原因？{ERROR on proc 0: DeePMD-kit C API Error: the dim of frame parameter provided is not consistent with what the model uses (/home/conda/feedstock_root/build_artifacts/deepmd-kit_1765827872230/work/source/lmp/pair
_deepmd.cpp:253)Last command: run 10000

MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
Proc: [[23938,0],0]
Errorcode: 1

NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.

}

[chenxuhan615]

已解决：是因为我忘记需要添加charge, multiplicity的信息