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

vivien badaut vivien.badaut at riken.jp
Wed May 30 07:49:36 CEST 2012


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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