internal error in: nonlr.F at line: 555

Problems running VASP: crashes, internal errors, "wrong" results.


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armando_derezende
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internal error in: nonlr.F at line: 555

#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
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Re: internal error in: nonlr.F at line: 555

#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?

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