<div class="gmail_quote">Dear Professor Blaha and Cottenier,<br><br>Thank you for your answers. It took me some time to try the different tests suggested.<br><br>>A possibility for debugging is:<br>>cd $WIENROOT/SRC_lapw2<br>
>edit Makefile and put -C -traceback in FOPT<br>
>make<br>>cp lapw2 ..<br><br>I used traceback in both FOPT and LDFLAGS, and the exception is partially caught:<br>"forrtl: severe (193): Run-Time Check Failure. The variable 'l2main_$MAXINDEX' is being used without being defined"<br>
<br>Indeed, in l2main.F, the line defining maxindex (line 850 in my version) <br>maxindex=(lmx+1)**2<br>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.<br>
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. <br>I did it and it is now working fine.<br><br>Thanks again for your help.<br>
<br>Best regards, <br><br>Vivien Badaut,<br>Postdoctoral Researcher<br>Computational Condensed Matter Physics Laboratory,<br>RIKEN ASI, Japan<br>
</div><br>