problem with init_bulk:find no valid outcar in sys sys-0064-0128, check if your vasp md simulation is correctly done #1252
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Chendy1161
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Do you have solved this problem? I have meet the same problem. |
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When I run init_bulk in dpgen,I met the error message:
Traceback (most recent call last):
File "/root/.local/bin/dpgen", line 8, in
sys.exit(main())
File "/root/.local/lib/python3.9/site-packages/dpgen/main.py", line 233, in main
args.func(args)
File "/root/.local/lib/python3.9/site-packages/dpgen/data/gen.py", line 1596, in gen_init_bulk
coll_vasp_md(jdata)
File "/root/.local/lib/python3.9/site-packages/dpgen/data/gen.py", line 1097, in coll_vasp_md
raise RuntimeError(
RuntimeError: MD dir: /workspace/dpgen_space/hfo_Pbca/init/HfO2.POSCAR.01x01x01/02.md: find no valid outcar in sys sys-0064-0128, check if your vasp md simulation is correctly done
part of dpgen.log as follows:

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