[Wien] Gd5Si4 calculations freeze

Peter Blaha pblaha at theochem.tuwien.ac.at
Mon Oct 25 08:22:17 CEST 2010


The scf1 files look absolutely ok.

However, previously you reported: "the calculations freeze";
now you report a:
forrtl: severe (174): SIGSEGV, segmentation fault occurred

Stack trace terminated abnormally.

without any further debugging output. (Did you compile with   -traceback ??)

I'd suggest to    check compilation
                   run x kgen and use fewer k-points for debugging
                   start another scf cycle and ckeck if the problem happens again.
                   maybe a problem with an overloaded NFS-filesystem ?
-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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