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Crash in symetry detection

Posted: Fri Mar 25, 2016 8:25 pm
by jaime
Hello,

A user of our cluster has not been able to run a 4x4x1 Sn supercell containing a total of 128 atoms on the latest patched version of VASP 5.4.1.
After tracking down the bug, it looks like a segmentation fault occurs in routine FSYM (symlib.F) called during "Analysis of constrained symmetry for selective dynamics".
The bug does not occur if one breaks the symmetry of the supercell by slightly modifying one atomic position or when deactivating symmetry detection with "ISYM=0".
The bug has been reproduced with several versions of the Intel compiler (14, 15 and 16).

Best regards,
Jaime

Re: Crash in symetry detection

Posted: Tue Sep 10, 2024 2:43 pm
by support_vasp

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP