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Maybe try a demo with the version you modified to located the problem? |
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Why not try parameter "template"? Here is an example https://github.com/deepmodeling/dpgen/tree/master/examples/run/dp-lammps-enhance_sampling. Relevant source code is here https://github.com/deepmodeling/dpgen/blob/master/dpgen/generator/run.py#L895-L911 |
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When I submit my dpgen job, it only work through the 00.train process, problem occurs when it comes to model_devi:
Description
Traceback (most recent call last):
File "/share/home/xlzou/.local/bin/dpgen", line 8, in
sys.exit(main())
File "/share/home/xlzou/.local/lib/python3.9/site-packages/dpgen/main.py", line 185, in main
args.func(args)
File "/share/home/xlzou/.local/lib/python3.9/site-packages/dpgen/generator/run.py", line 3642, in gen_run
run_iter (args.PARAM, args.MACHINE)
File "/share/home/xlzou/.local/lib/python3.9/site-packages/dpgen/generator/run.py", line 3618, in run_iter
run_model_devi (ii, jdata, mdata)
File "/share/home/xlzou/.local/lib/python3.9/site-packages/dpgen/generator/run.py", line 1556, in run_model_devi
run_md_model_devi(iter_index,jdata,mdata)
File "/share/home/xlzou/.local/lib/python3.9/site-packages/dpgen/generator/run.py", line 1550, in run_md_model_devi
submission.run_submission()
File "/share/home/xlzou/.local/lib/python3.9/site-packages/dpdispatcher/submission.py", line 172, in run_submission
self.generate_jobs()
File "/share/home/xlzou/.local/lib/python3.9/site-packages/dpdispatcher/submission.py", line 321, in generate_jobs
raise RuntimeError("submission must have at least 1 task")
RuntimeError: submission must have at least 1 task
I have place the sys_configs files right, but there shows no files in iter.000000/01.model_devi/confs
extra information: I used to successfully run the dpgen job, this problem occurs ever since I have replace the lammps.py file in dpgen/generator/lib. Dont know if that causes this problem or not. But it still dont work through when I change back the lammps,py file.
Thanks for any help.
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