Running a small (150 Bands) HSE06 Calculation with VASP 6 and got the error:
"
internal error in: mkpoints_full.F at line: 1161
internal error in SET_INDPW_FULL: insufficient memory (see wave.F
safeguard) 1937 1936
If you are not a developer, you should not encounter this problem.
Please submit a bug report.
"
This printed for a total of ~3000 lines and then the run ended. Running on UK supercomputer Archer2, with plenty of memory. Similar jobs do not return this error
Bug Report running HSE06 calc
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andreas.singraber
- Global Moderator
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Re: Bug Report running HSE06 calc
Hello!
Thank you for posting a bug report, could you please upload input (POSCAR, INCAR, KPOINTS, POTCAR) and output files (OUTCAR and stdout, see also forum posting guidelines), so we can have a look at it? Also, can you please add some hardware details of the machines you were running on (which nodes, how much memory,...). Thank you!
Best,
Andreas Singraber
Thank you for posting a bug report, could you please upload input (POSCAR, INCAR, KPOINTS, POTCAR) and output files (OUTCAR and stdout, see also forum posting guidelines), so we can have a look at it? Also, can you please add some hardware details of the machines you were running on (which nodes, how much memory,...). Thank you!
Best,
Andreas Singraber