Re: [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@computername:~/Desktop$ cd $WIENROOT
username@computername:~/WIEN2k$ wget 
https://raw.githubusercontent.com/gsabo/WIEN2k-Patches/master/16.1/x_lapw.patch

...
username@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 > 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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Re: [Wien] Unmatched from x_lapw

[Dr. K. C. Bhamu]

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  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
>
> ___
> Wien mailing list
> Wien@zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:  http://www.mail-archive.com/
> wien@zeus.theochem.tuwien.ac.at/index.html
>
>
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[Wien] Unmatched from x_lapw

[Gavin Abo]

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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