<html>
<head>
<meta http-equiv="Content-Type" content="text/html; charset=us-ascii">
<style type="text/css" style="display:none;"><!-- P {margin-top:0;margin-bottom:0;} --></style>
</head>
<body dir="ltr">
<div id="divtagdefaultwrapper" style="font-size:12pt;color:#000000;font-family:Calibri,Helvetica,sans-serif;" dir="ltr">
<p style="margin-top:0;margin-bottom:0">Dear Gavin and Tran</p>
<p style="margin-top:0;margin-bottom:0"><br>
</p>
<p style="margin-top:0;margin-bottom:0">It is now working after renaming the file to:
<span style="background-color:white;"><br>
</span></p>
<p style="margin-top:0;margin-bottom:0"><span style="background-color:white;"><br>
</span></p>
<p style="margin-top:0;margin-bottom:0"><span style="background-color:white;">.dftd3par.localhost.localdomain</span><br>
</p>
<p style="margin-top:0;margin-bottom:0"><br>
</p>
<p style="margin-top:0;margin-bottom:0">Thank you very much.</p>
<p style="margin-top:0;margin-bottom:0"><br>
</p>
<p style="margin-top:0;margin-bottom:0">Osama<br>
</p>
<p style="margin-top:0;margin-bottom:0"><br>
</p>
<div id="Signature">
<div id="divtagdefaultwrapper" style="font-size: 12pt; color: rgb(0, 0, 0); background-color: rgb(255, 255, 255); font-family: Calibri,Arial,Helvetica,sans-serif,"EmojiFont","Apple Color Emoji","Segoe UI Emoji",NotoColorEmoji,"Segoe UI Symbol","Android Emoji",EmojiSymbols;">
Sent from <a href="http://aka.ms/weboutlook" id="LPNoLP">Outlook</a></div>
</div>
</div>
<hr style="display:inline-block;width:98%" tabindex="-1">
<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>From:</b> Wien <wien-bounces@zeus.theochem.tuwien.ac.at> on behalf of Gavin Abo <gsabo@crimson.ua.edu><br>
<b>Sent:</b> Wednesday, December 27, 2017 5:50:09 PM<br>
<b>To:</b> wien@zeus.theochem.tuwien.ac.at<br>
<b>Subject:</b> Re: [Wien] SCAN meta-GGA+ DFT-D</font>
<div> </div>
</div>
<div style="background-color:#FFFFFF">
<p>The following you say you have containing 3 dots<br>
</p>
<p><br>
</p>
<p>.dftd<font color="#ff0000">3.p</font>ar.localhost</p>
<br>
is not that same as 2 dots:<br>
<br>
.dftd<font color="#ff0000">3p</font>ar.localhost<br>
<br>
The hostname localhost might be okay or it might not be. Your case.dayfile indicates that your hostname may need to be
<font color="#000099">localhost.localdomain</font>. Thus, you might need to name the file:<br>
<br>
.dftd3.par.localhost.localdomain<br>
<br>
However, I don't know if dftd3 will have a problem the dot in localhos<font color="#ff9900">t.l</font>ocaldomain. If it is not able to handle the dot, you could try making an dotless alias for 127.0.0.1 in /etc/hosts:<br>
<br>
<a class="x_moz-txt-link-freetext" href="http://manpages.ubuntu.com/manpages/zesty/man5/hosts.5.html">http://manpages.ubuntu.com/manpages/zesty/man5/hosts.5.html</a><br>
<a class="x_moz-txt-link-freetext" href="https://en.wikipedia.org/wiki/Localhost">https://en.wikipedia.org/wiki/Localhost</a><br>
<br>
<div class="x_moz-cite-prefix">On 12/27/2017 6:57 AM, Osama Yassin wrote:<br>
</div>
<blockquote type="cite"><style type="text/css" style="display:none">
<!--
p
{margin-top:0;
margin-bottom:0}
-->
</style>
<div id="x_divtagdefaultwrapper" dir="ltr" style="font-size:12pt; color:#000000; font-family:Calibri,Helvetica,sans-serif">
<p style="margin-top:0; margin-bottom:0">Dear Tran and Gavin</p>
<p style="margin-top:0; margin-bottom:0">I followed your recommendations as follows</p>
<p style="margin-top:0; margin-bottom:0"><br>
</p>
<p style="margin-top:0; margin-bottom:0">1- File name: .dftd3.par.localhost</p>
<p style="margin-top:0; margin-bottom:0">2- File location: /home/osama</p>
<p style="margin-top:0; margin-bottom:0">3- File content: <span>1.0 0.538 0.0 5.42 0.0 4</span></p>
<p style="margin-top:0; margin-bottom:0">4- case.indftd3:</p>
<div>method bj<br>
func none<br>
grad yes<br>
pbc yes<br>
abc yes<br>
cutoff 95<br>
cnthr 40<br>
num no<br>
</div>
<p style="margin-top:0; margin-bottom:0"><br>
</p>
<p style="margin-top:0; margin-bottom:0">The run gives:</p>
<p style="margin-top:0; margin-bottom:0"><br>
</p>
<pre><span style="font-size:10pt">> stop error
> dftd3 (16:48:34)
> struct2poscar (16:48:34)
-------- .machine0 : 3 processors
> lapw0 -dftd3 -p (16:48:31) starting parallel lapw0 at Wed Dec 27 16:48:31 +03 2017
cycle 1 (Wed Dec 27 16:48:31 +03 2017) (40/99 to go)
start (Wed Dec 27 16:48:31 +03 2017) with lapw0 (40/99 to go)
using WIEN2k_17.1 (Release 30/6/2017) in /home/osama/Wien2k171
on <font color="#000099">localhost.localdomain</font> with PID 24331</span></pre>
Please comment about this<br>
</div>
</blockquote>
<br>
</div>
</body>
</html>