<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:18pt"><div><span>Dear Yasir Ali</span></div><div style="color: rgb(0, 0, 0); font-size: 24px; font-family: 'times new roman', 'new york', times, serif; background-color: transparent; font-style: normal;"><span>I already used both the commands 4 times i used x spaghetti and 2 times </span><span style="font-size: 18pt;">x spaghetti -c</span></div><div><br></div> <div style="font-family: 'times new roman', 'new york', times, serif; font-size: 18pt;"> <div style="font-family: 'times new roman', 'new york', times, serif; font-size: 12pt;"> <div dir="ltr"> <hr size="1"> <font size="2" face="Arial"> <b><span style="font-weight:bold;">From:</span></b> Yasir Ali <yasiralikhan_25@yahoo.com><br> <b><span style="font-weight: bold;">To:</span></b> A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at> <br> <b><span
style="font-weight: bold;">Sent:</span></b> Wednesday, September 11, 2013 6:21 AM<br> <b><span style="font-weight: bold;">Subject:</span></b> Re: [Wien] Regarding band structure<br> </font> </div> <div class="y_msg_container"><br>
<meta http-equiv="x-dns-prefetch-control" content="off"><div id="yiv1815213884"><div><div style="color: rgb(0, 0, 0); background-color: rgb(255, 255, 255); font-family: arial, helvetica, sans-serif; font-size: 10pt;">I do not know the reason but it may work.<br>Instead of giving command "<span style="font-family: Helvetica, Arial, sans-serif; font-size: 16px; background-color: rgb(240, 240, 240);"></span><b style="font-family: Helvetica, Arial, sans-serif; font-size: 16px; background-color: rgb(240, 240, 240);">x
spaghetti -c</b><span style="font-family: Helvetica, Arial, sans-serif; font-size: 16px; background-color: rgb(240, 240, 240);">" give only</span><b style="font-family: Helvetica, Arial, sans-serif; font-size: 16px; background-color: rgb(240, 240, 240);"> </b><span style="font-family: Helvetica, Arial, sans-serif; font-size: 16px; background-color: rgb(240, 240, 240);">"</span><span style="font-family: Helvetica, Arial, sans-serif; font-size: 16px; background-color: rgb(240, 240, 240);"></span><b style="font-family: Helvetica, Arial, sans-serif; font-size: 16px; background-color: rgb(240, 240, 240);">x
spaghetti</b><span style="font-family: Helvetica, Arial, sans-serif; font-size: 16px; background-color: rgb(240, 240, 240);">".</span><span style="font-family: Helvetica, Arial, sans-serif; font-size: 16px; background-color: rgb(240, 240, 240);"> I assume this will work as it have worked for me many times.</span><b style="font-family: Helvetica, Arial, sans-serif; font-size: 16px; background-color: rgb(240, 240, 240);"><br></b><div><span><br></span></div><div> </div><div></div><div><br><br><br><br></div><div><br>Regards: <br>Yasir Ali<br>Scientific Officer<br>NINVAST<br>NCP Complex<br> Quaid Azam University <br>Islamabad Pakistan<br></div><br> <div style="font-family: arial, helvetica, sans-serif; font-size: 10pt;"> <div style="font-family: 'times new roman', 'new york', times, serif; font-size: 12pt;"> <div dir="ltr"> <hr size="1"> <font face="Arial" size="2"> <b><span style="
font-weight:bold;">From:</span></b> Gavin Abo <gsabo@crimson.ua.edu><br> <b><span style="font-weight:bold;">To:</span></b> A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at> <br> <b><span style="font-weight:bold;">Sent:</span></b> Tuesday, September 10, 2013 10:03 PM<br> <b><span style="font-weight:bold;">Subject:</span></b> Re: [Wien] Regarding band structure<br> </font> </div> <div class="yiv1815213884y_msg_container"><br><div id="yiv1815213884">
<div>
<div class="yiv1815213884moz-cite-prefix"><br>
</div>
<blockquote type="cite">
<div dir="ltr">Your approach is correct. I do not see anything
wrong. When I run "x spaghetti", this is what I see
<div>
<pre style="font-family: Courier, fixed; color: rgb(0, 0, 0); font-size: medium; background-color: rgb(240, 240, 240);">SPAGH: Read band energy from case.output1
number of k-points read in case.vector= 51
SPAGH END
0.043u 0.026s 0:00.07 85.7% 0+0k 0+0io 0pf+0w</pre>
</div>
<div class="yiv1815213884gmail_extra">I am curious, why don't you have the
1st line? Is *.output1 in place? Other than that: no idea.
Sorry.</div>
<div class="yiv1815213884gmail_extra"><br>
</div>
</div>
</blockquote>
<font color="#000099">This may be a new line printed by Wien2k
13.1. So likely an older version is being used.</font><br>
<br>
<blockquote type="cite">
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<div class="yiv1815213884gmail_extra">
<div class="yiv1815213884gmail_quote">
<blockquote class="yiv1815213884gmail_quote" style="margin:0pt 0pt 0pt 0.8ex;border-left:1px solid rgb(204, 204, 204);padding-left:1ex;">
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<div style="font-size: 12pt; font-family: 'times new roman', 'new york', times, serif;">
<div style="font-size:12pt;">
<div style="">
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<div>
<div>On Tue, Sep 10, 2013 at 8:43 AM,
sikandar azam <span dir="ltr"><<a rel="nofollow" ymailto="mailto:sikandar_hu@yahoo.com" target="_blank" href="mailto:sikandar_hu@yahoo.com">sikandar_hu@yahoo.com</a>></span>
wrote:<br>
<blockquote style="margin:0pt 0pt 0pt 0.8ex;border-left:1px solid rgb(204, 204, 204);padding-left:1ex;">
<div>
<div style="font-size:12pt;">
<div>Hello all</div>
<div>I am facing the problem in
plotting the band structure,
especially for big compounds
like biological compounds.</div>
<div>I get this problem</div>
<div><span style="font-family: Helvetica, Arial, sans-serif; font-size: 16px; background-color: rgb(240, 240, 240);">Commandline: </span><b style="font-family: Helvetica, Arial, sans-serif; font-size: medium; background-color: rgb(240, 240, 240);">x
spaghetti -c</b><br style="font-family: Helvetica, Arial, sans-serif; font-size: medium; background-color: rgb(240, 240, 240);">
<span style="font-family: Helvetica, Arial, sans-serif; font-size: medium; background-color: rgb(240, 240, 240);">Program
input is: </span><b style="font-family: Helvetica, Arial, sans-serif; font-size: medium; background-color: rgb(240, 240, 240);">""</b><span style="font-family: Helvetica, Arial, sans-serif; font-size: medium; background-color: rgb(240, 240, 240);"> </span><br style="font-family: Helvetica, Arial, sans-serif; font-size: 16px; background-color: rgb(240, 240, 240);">
<br style="font-family: Helvetica, Arial, sans-serif; font-size: medium; background-color: rgb(240, 240, 240);">
</div>
<table style="font-family: Helvetica, Arial, sans-serif; border: 0px none; padding: 2px; background-color: rgb(240, 240, 240);" border="1">
<tbody>
<tr style="border:0px none;padding:0px;">
<td style="border:0px none;padding:0px;">
<pre style="font-family: Courier, fixed;"> number of k-points read in case.vector= 251
forrtl: severe (174): SIGSEGV, segmentation fault occurred
0.279u 0.069s 0:00.51 64.7% 0+0k 0+0io 12pf+0w
error: command /home/azam/WIEN2k111-lopw/spaghetti spaghetti.def failed
</pre>
<div>please some one help
me.</div>
<div>thanks in advance</div>
<div>with regards</div>
<div>sikander Azam</div>
</td>
</tr>
</tbody>
</table>
</div>
</div>
<br>
</blockquote>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</blockquote>
</div>
</div>
</div>
</blockquote>
<br>
<font color="#000099">This is similar to a previously reported
error:<br>
<br>
http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-January/016037.html<br>
<br>
To know if it solves the problem or not, the user would have to
apply the fix to the old verison or use 13.1. If it doesn't solve
the problem, the user could do more debugging, the Intel article
at the following link might help:<br>
<br>
http://software.intel.com/en-us/articles/determining-root-cause-of-sigsegv-or-sigbus-errors<br>
</font><br>
</div>
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