[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

P.


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

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