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LAMMPS fix dplr issue #3679
Comments
Hi, has this issue been fixed? |
Hi @cesaremalosso, I am sorry that I was so overwhelmed in the past few weeks. In the recent days I have more time. I am working on this issue. Thanks for your patience. |
Thank you very much @Yi-FanLi ! I have another related question. It seems that the |
This is the current implementation. I know Could you raise a separate issue? |
Hi @cesaremalosso, I am replying to you in #4078 : ) |
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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