[Pw_forum] vc-relax with nspin=2 . Crashin

Paolo Giannozzi giannozz at democritos.it
Tue May 17 17:13:02 CEST 2011

On Tue, 2011-05-17 at 16:22 +0200, m.g.p.krishna at chem.leidenuniv.nl

> forrtl: severe (174): SIGSEGV, segmentation fault occurred

>                   calculation = 'vc-relax' ,

not sure it is your case, but there is a rather serious and nasty 
bug in variable-cell optimization in some cases. Tru to replace
PW/scale_h.f90 with the attached version


Paolo Giannozzi, IOM-Democritos and University of Udine, Italy

-------------- next part --------------
A non-text attachment was scrubbed...
Name: scale_h.f90
Type: text/x-fortran
Size: 2671 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20110517/3f4ad9ff/attachment.bin>

More information about the users mailing list