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dpgen.log shows the below message |
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I have met this probelm too. Do you know what is the reason for that? |
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Im trying to do dpgen example for al in init process.
I am able to do till first principle simulations. all the FPMD are successful, but dpgen is unable to collect the data.
following is the error.
Traceback (most recent call last):
File "/rhome/dhileept/.local/bin/dpgen", line 8, in
sys.exit(main())
File "/rhome/dhileept/.local/lib/python3.9/site-packages/dpgen/main.py", line 175, in main
args.func(args)
File "/rhome/dhileept/.local/lib/python3.9/site-packages/dpgen/data/gen.py", line 795, in gen_init_bulk
coll_vasp_md(jdata)
File "/rhome/dhileept/.local/lib/python3.9/site-packages/dpgen/data/gen.py", line 541, in coll_vasp_md
raise RuntimeError("MD dir: %s: find no valid outcar in sys %s, "
RuntimeError: MD dir: /rhome/dhileept/tut_dpgen/dpgen/examples/init/al/al.POSCAR.01x01x01/02.md: find no valid outcar in sys sys-0004, check if your vasp md simulation is correctly done
If anyone faced the above problem, please help.
Thank you.
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