[Wien] Unmatched from x_lapw

Gavin Abo gsabo at crimson.ua.edu
Wed Dec 28 09:14:55 CET 2016


In case others encounter the same problem, an Unmatched ". error 
appeared in WIEN2k 16.1 during the scf cycles when using run_lapw or 
run_lapw -p (k-point parallel mode), which appeared just before CORE END 
on a computer.  The source of the error was tracked down to x_lapw.  An 
echo is used to create a string that is piped to bc for calculating 
eferm.  The string is broken over multiple lines with a backslash (\) 
for an escape or line continuation character.  Something about the 
particular system that I'm using [Ubuntu 64 bit 14.04 LTS; bc 1.06.95; 
echo (GNU coreutils) 8.21; csh 20110502-2ub] is not able to translate it 
as I suspect that it is working fine for others.  After recombining the 
string into a single line, it was able to calculate the eferm variable 
value correctly again and the unmatched error went away.

If someone else wants to try it out, I put the patch file (x_lapw.patch) at:

https://github.com/gsabo/WIEN2k-Patches/tree/master/16.1

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