<div dir="ltr"><div><div><div>Thank you Gavin<br><br></div>the "unmatched" message has gone.<br><br></div>Sincerely<br></div>Bhamu<br><div><div><div><div><div class="gmail_extra"><br clear="all"><div><div class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><span style="color:rgb(0,0,0)"><br></span></div></div></div></div></div></div></div></div></div></div></div>
<br><div class="gmail_quote">On Wed, Dec 28, 2016 at 6:32 PM, Gavin Abo <span dir="ltr"><<a href="mailto:gsabo@crimson.ua.edu" target="_blank">gsabo@crimson.ua.edu</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div bgcolor="#FFFFFF" text="#000000">
<div class="m_6034295952269080314moz-cite-prefix">No, you do not need to recompile. That
is because x_lapw is a C shell [
<a class="m_6034295952269080314moz-txt-link-freetext" href="https://en.wikipedia.org/wiki/C_shell" target="_blank">https://en.wikipedia.org/wiki/<wbr>C_shell</a> ] script.<br>
<br>
It should be easy to apply x_lapw.patch, for example, in a
terminal:<br>
<br>
username@computername:~/<wbr>Desktop$ cd $WIENROOT<br>
username@computername:~/<wbr>WIEN2k$ wget
<a class="m_6034295952269080314moz-txt-link-freetext" href="https://raw.githubusercontent.com/gsabo/WIEN2k-Patches/master/16.1/x_lapw.patch" target="_blank">https://raw.githubusercontent.<wbr>com/gsabo/WIEN2k-Patches/<wbr>master/16.1/x_lapw.patch</a><br>
...<br>
username@computername:~/<wbr>WIEN2k$ patch -b x_lapw x_lapw.patch<br>
patching file x_lapw<br>
<br>
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).<br>
<br>
On 12/28/2016 2:02 AM, Dr. K. C. Bhamu wrote:<br>
</div>
<blockquote type="cite">
<div dir="ltr">
<div>
<div>
<div>
<div>Thank you Gavin,<br>
<br>
</div>
<div>I am also getting same message on Ubuntu 16.04.<br>
<br>
</div>
I see only one change, you replaced "l" by "1" in line
number 2583.<br>
</div>
Should we recompile all lapw* after this change?<br>
<br>
</div>
Sincerely<br>
</div>
Bhamu<br>
<div class="gmail_extra"><br clear="all">
<br>
<div class="gmail_quote">On Wed, Dec 28, 2016 at 1:44 PM,
Gavin Abo <span dir="ltr"><<a href="mailto:gsabo@crimson.ua.edu" target="_blank">gsabo@crimson.ua.edu</a>></span>
wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div bgcolor="#FFFFFF" text="#000000">
<p><font face="Times New Roman">In case others encounter
the same problem, an Unmatched ". error appeared </font><font face="Times New Roman">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 [</font><font face="Times New Roman"><font face="Times New Roman">Ubuntu 64 bit 14.04 LTS; bc
1.06.95; echo (GNU coreutils) 8.21</font>; 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.</font></p>
<p><font face="Times New Roman">If someone else wants to
try it out, I put the patch file (x_lapw.patch) at:<br>
</font></p>
<p><font face="Times New Roman"><a class="m_6034295952269080314m_880967785068996103moz-txt-link-freetext" href="https://github.com/gsabo/WIEN2k-Patches/tree/master/16.1" target="_blank">https://github.com/gsabo/WIEN2<wbr>k-Patches/tree/master/16.1</a></font></p>
</div>
</blockquote>
</div>
</div>
</div>
</blockquote>
</div>
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