[CPMD-list] V3.11.1 gives SCRATCH ARRAY TOO SMALL in geometry optimization

[Dave Sherman]

During my geometry optimization, I got

PROGRAM STOPS IN SUBROUTINE RGDIIS| SCRATCH ARRAY TOO SMALL [PROC=   0]

even though I'm using version 3.11.1.  I checked the rgdiis.f file  
and it has the bug fixes described by Juerg Hutter in
his 11 Nov. 2004 e-mail about this.

Any suggestions?

Dave Sherman
______________
David M. Sherman
Professor of Geochemistry
Department of Earth Sciences
University of Bristol
Bristol BS8 1RJ UNITED KINGDOM
Phone: 44-(0)117-954-5446
http://mineral.gly.bris.ac.uk

-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://cpmd.org/pipermail/cpmd-list/attachments/20080205/bc2b1074/attachment.html