[Wien] SegFault in lapw2 when using the -fc switch

[Peter Blaha]

Yes, this is true for WIEN2k_11.

In my personal version this has already been fixed, so I wonder if it was not reported by somebody before.

Am 30.05.2012 07:49, schrieb vivien badaut:
> Dear Professor Blaha and Cottenier,
>
> Thank you for your answers. It took me some time to try the different tests suggested.
>
>  >A possibility for debugging is:
>  >cd $WIENROOT/SRC_lapw2
>  >edit Makefile and put -C -traceback  in  FOPT
>  >make
>  >cp lapw2 ..
>
> I used traceback in both FOPT and LDFLAGS, and the exception is partially caught:
> "forrtl: severe (193): Run-Time Check Failure. The variable 'l2main_$MAXINDEX' is being used without being defined"
>
> Indeed, in l2main.F, the line defining maxindex (line 850 in my version)
> maxindex=(lmx+1)**2
> is inside a if loop that triggers if the booleans force and forcea are true; however, it is latter called in a if loop (line 894) that triggers only if force is true ; thus, if
> force =T and forcea=F, maxindex is used without having been defined - which happens in my case, thus causing the crash. I don't know if it makes sense to have force=T and
> forcea=F, though.
> Moving the line defining maxindex before the begining of the loop should not have any consequence, as maxindex is defined only once in l2main.F.
> I did it and it is now working fine.
>
> Thanks again for your help.
>
> Best regards,
>
> Vivien Badaut,
> Postdoctoral Researcher
> Computational Condensed Matter Physics Laboratory,
> RIKEN ASI, Japan
>
>
>
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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