[Wien] Segmentation fault with x tetra

Peter Blaha pblaha at theochem.tuwien.ac.at
Thu Apr 16 08:01:31 CEST 2009


Maybe you created a wrong tic.int file ?

Or your qtl-file is incomplete or contains '****' (due to ghostbands).
Check the bottom of the (large) case.output2 file. Does it say somthing 
like:
  NBAND in QTL-file: XX

Robert Black schrieb:
> Dear
> 
> Wien2k users 
>  
> I'm a chemistry student running Wien2k, and not too familiar with 
> software bugs.
> I'm running the latest version of Wien2k with the following operating 
> system:
> x86_64 Intel(R) Xeon(R) CPU           E5420  @ 2.50GHz GNU/Linux (4Gb RAM)
> 
> I'm experiencing a problem with a "segmentation fault" given after 
> running TiC test case with the x tetra function for DOS. The TiC.qtl is 
> generated correctly and I have no other errors (it seems) when lapw2 
> -qtl has been run (or with initialization or running the SCF). The 
> mailing list previously suggested that it's a 32bit linux problem with 
> memory, however I'm running a 64bit version. Are these two problems 
> related? does anyone have any suggestions?
>  
> Regards
> Robert
> 
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