I encountered this error during an ionic optimization run. The message told me to submit a bug report. Please find attached INCAR, POSCAR, KPOINTS, OUTCAR and log file.
internal error in: nonlr.F at line: 1141
internal ERROR RSPHER: running out of buffer 136109 140 8 4 137229
nonlr.F:Out of buffer RSPHER
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Please submit a bug report.
internal ERROR RSPHER: running out of buffer encountered in geometry opitmization
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mwlazlo
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internal ERROR RSPHER: running out of buffer encountered in geometry opitmization
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merzuk.kaltak
- Administrator
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- Joined: Mon Sep 24, 2018 9:39 am
Re: internal ERROR RSPHER: running out of buffer encountered in geometry opitmization
Dear mwlazlo,
thank you for reporting a bug report.
The error occurs during a relaxation after 97 ionic steps with a unit cell of 384 atoms. Unfortunately, we don't have the compute power to reproduce this error.
I recommend to restart the calculation from the last ionic relaxation, i.e. using the last CONTCAR as new POSCAR and reading in the other input files WAVECAR, CHGCAR, etc.
Please let us know if this solves you problem.
thank you for reporting a bug report.
The error occurs during a relaxation after 97 ionic steps with a unit cell of 384 atoms. Unfortunately, we don't have the compute power to reproduce this error.
I recommend to restart the calculation from the last ionic relaxation, i.e. using the last CONTCAR as new POSCAR and reading in the other input files WAVECAR, CHGCAR, etc.
Please let us know if this solves you problem.