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ERROR: find a bonded pair that is not on the same processor, something should not happen (../fix_dplr.cpp:345) when restart from a previous simulation run.
DeePMD-kit Version
2.2.3
Backend and its version
2.13.0
Python Version, CUDA Version, GCC Version, LAMMPS Version, etc
No response
Details
Hi,
I'm encountering the following error: ERROR: find a bonded pair that is not on the same processor, something should not happen (../fix_dplr.cpp:345)
when I try to restart a LAMMPS run from the previous ended one. I'm using a DPLR model and I'm running it just with 1 MPI process (mpirun -np 1) for the LAMMPS lmp_mpi. I attach the input file for LAMMPS as well as the two restart file from the previous run
Summary
ERROR: find a bonded pair that is not on the same processor, something should not happen (../fix_dplr.cpp:345)
when restart from a previous simulation run.DeePMD-kit Version
2.2.3
Backend and its version
2.13.0
Python Version, CUDA Version, GCC Version, LAMMPS Version, etc
No response
Details
Hi,
I'm encountering the following error:
ERROR: find a bonded pair that is not on the same processor, something should not happen (../fix_dplr.cpp:345)
when I try to restart a LAMMPS run from the previous ended one. I'm using a DPLR model and I'm running it just with 1 MPI process (
mpirun -np 1
) for the LAMMPSlmp_mpi
. I attach the input file for LAMMPS as well as the two restart file from the previous runfiles.zip
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