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 <gs...@crimson.ua.edu
<mailto:gs...@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>
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