[Wien] Unmatched from x_lapw

Dr. K. C. Bhamu kcbhamu85 at gmail.com
Wed Dec 28 10:02:37 CET 2016


Thank you Gavin,

I am also getting same message on Ubuntu 16.04.

I see only one change, you replaced "l" by "1" in line number 2583.
Should we recompile all lapw* after this change?

Sincerely
Bhamu


On Wed, Dec 28, 2016 at 1:44 PM, Gavin Abo <gsabo at crimson.ua.edu> wrote:

> 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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