Crash in symetry detection

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


Moderators: Global Moderator, Moderator

Locked
Message
Author
jaime
Newbie
Newbie
Posts: 1
Joined: Fri Mar 25, 2016 1:24 am
License Nr.: 5-395

Crash in symetry detection

#1 Post by jaime » Fri Mar 25, 2016 8:25 pm

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

support_vasp
Global Moderator
Global Moderator
Posts: 1817
Joined: Mon Nov 18, 2019 11:00 am

Re: Crash in symetry detection

#2 Post by support_vasp » Tue Sep 10, 2024 2:43 pm

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


Locked