[Wien] Wien2k 16 siteconfig_lapw error

Martin Kroeker martin at ruby.chemie.uni-freiburg.de
Tue Dec 13 19:32:39 CET 2016


This must be related to the (new) script code that tries to digest the
FFTW_OPTION setting. Around line 145 of the siteconfig_lapw script there
is some funky looping over the FFTWpath string (trying to find "/" path
separator characters apparently) where variable i[3] is used as an
argument to "cut -c" while it is reduced by one in every iteration of 
the "iloop" loop.
There is an
> if( $i[3] < 1 ) set i[3]=1
in line 149 to make sure it does not suddenly go out of range, but this
is very probably too late for the 
> set test=`echo $FFTWpath|cut -c$i[3]`
that happens in line 147 - suggest to move the "if" line before that.
-- 
Dr. Martin Kroeker            martin at ruby.chemie.uni-freiburg.de
c/o Prof.Dr. Caroline Roehr
Institut fuer Anorganische und Analytische Chemie der Universitaet Freiburg



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