How to set up neighbor in param.joson?

[San-tan]

task04
output file of lammps

ERROR on proc 0: Neighbor list overflow, boost neigh_modify one (src/npair_full_bin_atomonly.cpp:88)

output file of dpgen
File "/home/gpu/apps/dp-kit122/bin/dpgen", line 8, in
sys.exit(main())
File "/home/gpu/apps/dp-kit122/lib/python3.8/site-packages/dpgen/main.py", line 175, in main
args.func(args)
File "/home/gpu/apps/dp-kit122/lib/python3.8/site-packages/dpgen/generator/run.py", line 2410, in gen_run
run_iter (args.PARAM, args.MACHINE)
File "/home/gpu/apps/dp-kit122/lib/python3.8/site-packages/dpgen/generator/run.py", line 2385, in run_iter
run_model_devi (ii, jdata, mdata)
File "/home/gpu/apps/dp-kit122/lib/python3.8/site-packages/dpgen/generator/run.py", line 1059, in run_model_devi
dispatcher.run_jobs(mdata['model_devi_resources'],
File "/home/gpu/apps/dp-kit122/lib/python3.8/site-packages/dpgen/dispatcher/Dispatcher.py", line 91, in run_jobs
while not self.all_finished(job_handler, mark_failure) :
File "/home/gpu/apps/dp-kit122/lib/python3.8/site-packages/dpgen/dispatcher/Dispatcher.py", line 216, in all_finished
raise RuntimeError('Job %s failed for more than 3 times' % job_uuid)
RuntimeError: Job d6b85cdb-58a5-4839-bde7-ddeb298e9161 failed for more than 3 times

[AnguseZhang]

Please provide necessary information including the version of software and installation way, input file, running commands, error log , etc., AS DETAILED AS POSSIBLE to help locate and reproduce your problem. Such as "param.json".

Did your training process finishes normally?
Job d6b85cdb-58a5-4839-bde7-ddeb298e9161 fails for more than 3 times, so you should check the reason inside the work path correpsondingly. This seems DeePMD-kit + LAMMPS's error. You should figure out the reason.

[njzjz]

@AnguseZhang He post his output here

ERROR on proc 0: Neighbor list overflow, boost neigh_modify one (src/npair_full_bin_atomonly.cpp:88)

I think there are two points. (1) Is it a bug of deepmd-kit? I'm not sure. (2) Maybe we can change the LAMMPS input to resolve the problem, and now there's no document for it.

[AnguseZhang]

Maybe we can change the LAMMPS input to resolve the problem, and now there's no document for it.

@HuangJiameng added explanations about how to change the LAMMPS input in #876 , so I think this issue could be closed.