[Pw_forum] NEB: enexpected number of dimensons in ngg

Egbert Barnard BarnardEP at ufs.ac.za
Fri Jun 24 11:16:49 CEST 2011


I seem to have solved the problem I had experienced with Quantum espresso 4.2.1 in the NEB code. I got the following error: Unexpected number if dimensions in ngg.If you make the number of pools 1 then no error occurs. So I assume there is a bug in that part of the code, where you parallelize with respect to your k-points.

Pieter Barnard
University of the Free State
Bloemfontein
South Africa

_____________________________________________________________________

University of the Free State: This message and its contents are subject to a disclaimer. 
Please refer to  http://www.ufs.ac.za/disclaimer for full details. 

Universiteit van die Vrystaat: 
Hierdie boodskap en sy inhoud is aan 'n vrywaringsklousule onderhewig. 
Volledige besonderhede is by http://www.ufs.ac.za/vrywaring  beskikbaar. 
_____________________________________________________________________
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110624/729b8bb7/attachment.htm 


More information about the Pw_forum mailing list