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When I changed the LREAL = auto, a new error in OUTCAR was presented. |
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Please check your POTCAR files. |
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Is the INCAR wrong or something happened?
The OUTCAR context as below:
running on 64 total cores
distrk: each k-point on 64 cores, 1 groups
distr: one band on 1 cores, 64 groups
using from now: INCAR
vasp.6.1.0 28Jan20 (build Mar 23 2020 15:34:42) complex
POSCAR found type information on POSCAR Be
POSCAR found : 1 types and 48 ions
| Error reading item LREAL from file INCAR. |
| Error code was IERR= 5 ... . Found N= 3 data. |
And err as following:
INFO:dpgen:Try to parse from vasprun.xml
INFO:dpgen:Failed fp path: iter.000000/02.fp/task.000.000048/
INFO:dpgen:Try to parse from vasprun.xml
INFO:dpgen:Failed fp path: iter.000000/02.fp/task.000.000049/
INFO:dpgen:failed frame: 50 in 50 100.00 %
raise RuntimeError("find too many unsuccessfully terminated jobs. Too many FP tasks are not converged. Please check your input parameters (e.g. INCAR) or configuration (e.g. POSCAR) in directories 'iter../02.fp/task../.'")
RuntimeError: find too many unsuccessfully terminated jobs. Too many FP tasks are not converged. Please check your input parameters (e.g. INCAR) or configuration (e.g. POSCAR) in directories 'iter../02.fp/task../.'
dpgen.log
err.txt
INCAR.txt
machine.json.txt
OUTCAR.txt
param.json.txt
record.dpgen.txt
POSCAR.txt
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