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Hello, has your problem been solved? I've encountered the same issue. |
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When I produce initial data for model trainling. I perform the init_bulk, but there is an erro:
RuntimeError: MD dir: XXX/POSCAR.02x02x02/02.md: find no valid outcar in sys sys-0008-0008-0024, check if your vasp md simulation is correctly done
And I look for the file 'dpgen.log'. There is warnning information:
WARNING : in directory XXX/POSCAR.02x02x02/02.md/sys-0008-0008-0024 nforce in OUTCAR is not equal to settings in INCAR
I wonder why this erro appears. I've followed the tourial to keep 'md_nsteps' and 'NSW' in agreement.
Following is my param.json:
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