cesaremalosso
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3
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cesaremalosso
### 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...
bug
reproduced
### Summary `kspace_style pppm/dplr` is quite slow in LAMMPS, significantly slowing down the MD simulation. A multiprocessing code running on CPU (or a GPU implementation) could speed-up significantly the simulation....
enhancement