[BUG] _Error with Pytorch models

[thangckt]

Bug summary

I try to run a simulation using with model trained with Pytorch backend, and get this error

....../deepmd_kit_dev/source/lmp/pair_deepmd.cpp:463: virtual void LAMMPS_NS::PairDeepMD::compute(int, int): Assertion `sizeof(MPI_Comm) == sizeof(int)' failed.

DeePMD-kit Version

v3.0.0a0-134-gebd809b5

Backend and its version

Pytorch 2.3.0 and 2.2.0

How did you download the software?

Built from source

Input Files, Running Commands, Error Log, etc.

DeePMD-kit WARNING: Environmental variable DP_INTER_OP_PARALLELISM_THREADS is not set. Tune DP_INTER_OP_PARALLELISM_THREADS for the best performance. See https://deepmd.rtfd.io/parallelism/ for more information.
DeePMD-kit WARNING: Environmental variable OMP_NUM_THREADS is not set. Tune OMP_NUM_THREADS for the best performance. See https://deepmd.rtfd.io/parallelism/ for more information.
lmp_mpi: /home1/p001cao/0SourceCode/deepmd_kit_dev/source/lmp/pair_deepmd.cpp:463: virtual void LAMMPS_NS::PairDeepMD::compute(int, int): Assertion `sizeof(MPI_Comm) == sizeof(int)' failed.
[com312:10025] *** Process received signal ***
[com312:10025] Signal: Aborted (6)
[com312:10025] Signal code:  (-6)
lmp_mpi: /home1/p001cao/0SourceCode/deepmd_kit_dev/source/lmp/pair_deepmd.cpp:463: virtual void LAMMPS_NS::PairDeepMD::compute(int, int): Assertion `sizeof(MPI_Comm) == sizeof(int)' failed.
[com312:10026] *** Process received signal ***
[com312:10026] Signal: Aborted (6)
[com312:10026] Signal code:  (-6)
lmp_mpi: /home1/p001cao/0SourceCode/deepmd_kit_dev/source/lmp/pair_deepmd.cpp:463: virtual void LAMMPS_NS::PairDeepMD::compute(int, int): Assertion `sizeof(MPI_Comm) == sizeof(int)' failed.
[com312:10027] *** Process received signal ***
[com312:10027] Signal: Aborted (6)
[com312:10027] Signal code:  (-6)
lmp_mpi: /home1/p001cao/0SourceCode/deepmd_kit_dev/source/lmp/pair_deepmd.cpp:463: virtual void LAMMPS_NS::PairDeepMD::compute(int, int): Assertion `sizeof(MPI_Comm) == sizeof(int)' failed.
[com312:10028] *** Process received signal ***
[com312:10028] Signal: Aborted (6)
[com312:10028] Signal code:  (-6)
lmp_mpi: /home1/p001cao/0SourceCode/deepmd_kit_dev/source/lmp/pair_deepmd.cpp:463: virtual void LAMMPS_NS::PairDeepMD::compute(int, int): Assertion `sizeof(MPI_Comm) == sizeof(int)' failed.
lmp_mpi: /home1/p001cao/0SourceCode/deepmd_kit_dev/source/lmp/pair_deepmd.cpp:463: virtual void LAMMPS_NS::PairDeepMD::compute(int, int): Assertion `sizeof(MPI_Comm) == sizeof(int)' failed.
[com312:10024] *** Process received signal ***
[com312:10024] Signal: Aborted (6)
[com312:10024] Signal code:  (-6)
[com312:10029] *** Process received signal ***
[com312:10029] Signal: Aborted (6)
[com312:10029] Signal code:  (-6)
lmp_mpi: /home1/p001cao/0SourceCode/deepmd_kit_dev/source/lmp/pair_deepmd.cpp:463: virtual void LAMMPS_NS::PairDeepMD::compute(int, int): Assertion `sizeof(MPI_Comm) == sizeof(int)' failed.
lmp_mpi: /home1/p001cao/0SourceCode/deepmd_kit_dev/source/lmp/pair_deepmd.cpp:463: virtual void LAMMPS_NS::PairDeepMD::compute(int, int): Assertion `sizeof(MPI_Comm) == sizeof(int)' failed.
[com312:10030] *** Process received signal ***
[com312:10023] *** Process received signal ***

Steps to Reproduce

Install DeepMD-kit from this branch: https://github.com/deepmodeling/deepmd-kit/tree/devel

Train model following this tutorial using pytorch as backend.

And use the model in Lammps

Further Information, Files, and Links

No response