Problems running VASP: crashes, internal errors, "wrong" results.
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armando_derezende
- Newbie
- Posts: 8
- Joined: Wed Jun 10, 2020 5:06 pm
#1
Post
by armando_derezende » Mon Jan 30, 2023 9:20 pm
Dear VASP community,
I encountered this Bug in my NEB calculation:
internal error in: nonlr.F at line: 555
REAL_OPT: internal ERROR: 83 7 -28 23
I attached some files that I believe to be useful. I cannot attach everything because it is too big for upload.
the vile vasp.out is the standard output and error for the vasp command.
If you need more information, I will keep the directory where I ran this calculation.
Best regards,
Armando
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fabien_tran1
- Global Moderator
- Posts: 418
- Joined: Mon Sep 13, 2021 11:02 am
#2
Post
by fabien_tran1 » Wed Feb 01, 2023 10:33 am
Hi,
In order to try to reproduce this problem, the POSCAR file is needed. The following information would be also useful:
-Have you tried to run this calculation several time? If yes, have you tried different parallelization schemes?
-To what do the files 01_OUTCAR.txt, 02_OUTCAR.txt, etc. correspond to? They seem to correspond to calculations that ended properly.
-Which Fortran compiler (and version) was used?