[Wien] Unmatched from x_lapw

[Gavin Abo]

No, you do not need to recompile.  That is because x_lapw is a C shell [ 
https://en.wikipedia.org/wiki/C_shell ] script.

It should be easy to apply x_lapw.patch, for example, in a terminal:

username at computername:~/Desktop$ cd $WIENROOT
username at computername:~/WIEN2k$ wget 
https://raw.githubusercontent.com/gsabo/WIEN2k-Patches/master/16.1/x_lapw.patch
...
username at computername:~/WIEN2k$ patch -b x_lapw x_lapw.patch
patching file x_lapw

Yes, x_lapw.patch shows only one change.  No, it doesn't replace "l" by 
"1" in line number 2583.  The original WIEN2k 16.1 x_lapw has three 
lines, lines 2581 through 2583.  The patch removes the bashslash (\) 
from lines 2581 and 2582.  Then, the three lines (2581-2583) are 
combined into one line (2581).

On 12/28/2016 2:02 AM, Dr. K. C. Bhamu wrote:
> 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 
> <mailto: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
>     <https://github.com/gsabo/WIEN2k-Patches/tree/master/16.1>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20161228/6a50296d/attachment.html>