[Wien] [Solved] Unmatched from x_lapw

[Dr. K. C. Bhamu]

Thank you Gavin

the "unmatched" message has gone.

Sincerely
Bhamu



On Wed, Dec 28, 2016 at 6:32 PM, Gavin Abo <gsabo at crimson.ua.edu> wrote:

> 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> 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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