<html xmlns:v="urn:schemas-microsoft-com:vml" xmlns:o="urn:schemas-microsoft-com:office:office" xmlns:w="urn:schemas-microsoft-com:office:word" xmlns:st1="urn:schemas:contacts" xmlns:st2="urn:schemas-microsoft-com:office:smarttags" xmlns="http://www.w3.org/TR/REC-html40">
<head>
<META HTTP-EQUIV="Content-Type" CONTENT="text/html; charset=us-ascii">
<meta name=Generator content="Microsoft Word 11 (filtered medium)">
<!--[if !mso]>
<style>
v\:* {behavior:url(#default#VML);}
o\:* {behavior:url(#default#VML);}
w\:* {behavior:url(#default#VML);}
.shape {behavior:url(#default#VML);}
</style>
<![endif]--><o:SmartTagType namespaceuri="urn:schemas:contacts" name="Sn"/>
<o:SmartTagType namespaceuri="urn:schemas:contacts" name="GivenName"/>
<o:SmartTagType namespaceuri="urn:schemas-microsoft-com:office:smarttags"
name="PersonName" downloadurl="http://www.microsoft.com"/>
<!--[if !mso]>
<style>
st1\:*{behavior:url(#default#ieooui) }st2\:*{behavior:url(#default#ieooui) }
</style>
<![endif]-->
<style>
<!--
hmmessage P
{
margin:0px;
padding:0px
}
ExternalClass p.ecxMsoNormal, .ExternalClass li.ecxMsoNormal, .ExternalClass div.ecxMsoNormal
{margin-bottom:.0001pt;font-size:12.0pt;font-family:'Times New Roman';}
ExternalClass a:link, .ExternalClass span.ecxMsoHyperlink
{color:blue;text-decoration:underline;}
ExternalClass a:visited, .ExternalClass span.ecxMsoHyperlinkFollowed
{color:purple;text-decoration:underline;}
ExternalClass span.ecxEmailStyle17
{font-family:'Times New Roman';color:windowtext;font-weight:normal;font-style:normal;text-decoration:none none;}
ExternalClass div.ecxSection1
{page:Section1;}
/* Font Definitions */
@font-face
{font-family:Batang;
panose-1:2 3 6 0 0 1 1 1 1 1;}
@font-face
{font-family:SimSun;
panose-1:2 1 6 0 3 1 1 1 1 1;}
@font-face
{font-family:Verdana;
panose-1:2 11 6 4 3 5 4 4 2 4;}
@font-face
{font-family:Tahoma;
panose-1:2 11 6 4 3 5 4 4 2 4;}
@font-face
{font-family:"\@Batang";
panose-1:0 0 0 0 0 0 0 0 0 0;}
@font-face
{font-family:"\@SimSun";
panose-1:0 0 0 0 0 0 0 0 0 0;}
/* Style Definitions */
p.MsoNormal, li.MsoNormal, div.MsoNormal
{margin:0in;
margin-bottom:.0001pt;
font-size:12.0pt;
font-family:SimSun;}
a:link, span.MsoHyperlink
{color:blue;
text-decoration:underline;}
a:visited, span.MsoHyperlinkFollowed
{color:purple;
text-decoration:underline;}
p.ecxmsonormal, li.ecxmsonormal, div.ecxmsonormal
{mso-margin-top-alt:auto;
margin-right:0in;
mso-margin-bottom-alt:auto;
margin-left:0in;
font-size:12.0pt;
font-family:SimSun;}
span.EmailStyle18
{mso-style-type:personal-reply;
font-family:"Times New Roman";
color:windowtext;
font-weight:normal;
font-style:normal;
text-decoration:none none;}
@page Section1
{size:8.5in 11.0in;
margin:1.0in 1.25in 1.0in 1.25in;}
div.Section1
{page:Section1;}
-->
</style>
</head>
<body lang=EN-US link=blue vlink=purple>
<div class=Section1>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt;font-family:"Times New Roman"'>Dear <st1:GivenName w:st="on">Xeuli</st1:GivenName><o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt;font-family:"Times New Roman"'> The machines file <o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt;font-family:"Times New Roman"'>1:nx:8<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt;font-family:"Times New Roman"'>Granularity:8<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt;font-family:"Times New Roman"'>Extrafine:8 <o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt;font-family:"Times New Roman"'>Does not seem to work. However, if I put <o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt;font-family:"Times New Roman"'>1:nx80<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt;font-family:"Times New Roman"'>1:nx80<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt;font-family:"Times New Roman"'>…..<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt;font-family:"Times New Roman"'>……<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt;font-family:"Times New Roman"'>Granularity:1 <o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt;font-family:"Times New Roman"'>Extrafine:1 <o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt;font-family:"Times New Roman"'>There are currently no problems. <o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt;font-family:"Times New Roman"'><o:p> </o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt;font-family:"Times New Roman"'>With the best regards <o:p></o:p></span></font></p>
<p class=MsoNormal><st1:GivenName w:st="on"><font size=2 face="Times New Roman"><span
style='font-size:11.0pt;font-family:"Times New Roman"'>Suddhasattwa</span></font></st1:GivenName><font
size=2 face="Times New Roman"><span style='font-size:11.0pt;font-family:"Times New Roman"'>
<st1:Sn w:st="on">Ghosh</st1:Sn> <o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt;font-family:"Times New Roman"'><o:p> </o:p></span></font></p>
<div>
<div class=MsoNormal align=center style='text-align:center'><font size=3
face=SimSun><span style='font-size:12.0pt'>
<hr size=2 width="100%" align=center tabindex=-1>
</span></font></div>
<p class=MsoNormal><b><font size=2 face=Tahoma><span style='font-size:10.0pt;
font-family:Tahoma;font-weight:bold'>From:</span></font></b><font size=2
face=Tahoma><span style='font-size:10.0pt;font-family:Tahoma'>
wien-bounces@zeus.theochem.tuwien.ac.at
[mailto:wien-bounces@zeus.theochem.tuwien.ac.at] <b><span style='font-weight:
bold'>On Behalf Of </span></b><st2:PersonName w:st="on"><st1:GivenName w:st="on">Xueli</st1:GivenName>
<st1:Sn w:st="on">Wang</st1:Sn></st2:PersonName><br>
<b><span style='font-weight:bold'>Sent:</span></b> Tuesday, April 27, 2010 2:04
PM<br>
<b><span style='font-weight:bold'>To:</span></b>
wien@zeus.theochem.tuwien.ac.at<br>
<b><span style='font-weight:bold'>Subject:</span></b> Re: [<st1:Sn w:st="on">Wien</st1:Sn>]
A Valid .machines file</span></font><o:p></o:p></p>
</div>
<p class=MsoNormal><font size=3 face=SimSun><span style='font-size:12.0pt'><o:p> </o:p></span></font></p>
<p class=MsoNormal><font size=2 face=Verdana><span style='font-size:10.0pt;
font-family:Verdana'>The same problem happened to me. But when I try to reform
the .machines file into the following ones, it can be worked:<br>
<br>
1:nx80<br>
1:nx80<br>
1:nx80<br>
1:nx80<br>
1:nx80<br>
1:nx80<br>
1:nx80<br>
1:nx80<o:p></o:p></span></font></p>
<p class=ecxmsonormal><font size=2 face="Times New Roman"><span
style='font-size:11.0pt;font-family:"Times New Roman"'>Granularity:1</span></font><font
size=2 face=Verdana><span style='font-size:10.0pt;font-family:Verdana'><o:p></o:p></span></font></p>
<p class=ecxmsonormal><font size=2 face="Times New Roman"><span
style='font-size:11.0pt;font-family:"Times New Roman"'>Extrafine:1 </span></font><font
size=2 face=Verdana><span style='font-size:10.0pt;font-family:Verdana'><o:p></o:p></span></font></p>
<p class=MsoNormal style='margin-bottom:12.0pt'><font size=2 face=Verdana><span
style='font-size:10.0pt;font-family:Verdana'> <br>
Best wishes,<br>
<st2:PersonName w:st="on"><st1:GivenName w:st="on">Xueli</st1:GivenName> <st1:Sn
w:st="on">Wang</st1:Sn></st2:PersonName><br>
<br>
<br>
<o:p></o:p></span></font></p>
<div class=MsoNormal align=center style='text-align:center'><font size=2
face=Verdana><span style='font-size:10.0pt;font-family:Verdana'>
<hr size=2 width="100%" align=center id=stopSpelling>
</span></font></div>
<p class=MsoNormal style='margin-bottom:12.0pt'><font size=2 face=Verdana><span
style='font-size:10.0pt;font-family:Verdana'>From: ssghosh@igcar.gov.in<br>
To: wien@zeus.theochem.tuwien.ac.at<br>
Date: Tue, 27 Apr 2010 13:38:23 +0530<br>
Subject: [<st1:Sn w:st="on">Wien</st1:Sn>] A Valid .machines file<o:p></o:p></span></font></p>
<div>
<p class=ecxmsonormal><font size=2 face="Times New Roman"><span
style='font-size:11.0pt;font-family:"Times New Roman"'>Dear Wien2k users, </span></font><font
size=2 face=Verdana><span style='font-size:10.0pt;font-family:Verdana'><o:p></o:p></span></font></p>
<p class=ecxmsonormal><font size=2 face="Times New Roman"><span
style='font-size:11.0pt;font-family:"Times New Roman"'>If we make the following
changes in the .machines file </span></font><font size=2 face=Verdana><span
style='font-size:10.0pt;font-family:Verdana'><o:p></o:p></span></font></p>
<p class=ecxmsonormal><font size=2 face="Times New Roman"><span
style='font-size:11.0pt;font-family:"Times New Roman"'>1:nx80:8 </span></font><font
size=2 face=Verdana><span style='font-size:10.0pt;font-family:Verdana'><o:p></o:p></span></font></p>
<p class=ecxmsonormal><font size=2 face="Times New Roman"><span
style='font-size:11.0pt;font-family:"Times New Roman"'>#nx80 is the node with 8
processors</span></font><font size=2 face=Verdana><span style='font-size:10.0pt;
font-family:Verdana'><o:p></o:p></span></font></p>
<p class=ecxmsonormal><font size=2 face="Times New Roman"><span
style='font-size:11.0pt;font-family:"Times New Roman"'>#8 represents 8
processors </span></font><font size=2 face=Verdana><span style='font-size:10.0pt;
font-family:Verdana'><o:p></o:p></span></font></p>
<p class=ecxmsonormal><font size=2 face="Times New Roman"><span
style='font-size:11.0pt;font-family:"Times New Roman"'>Granularity:1</span></font><font
size=2 face=Verdana><span style='font-size:10.0pt;font-family:Verdana'><o:p></o:p></span></font></p>
<p class=ecxmsonormal><font size=2 face="Times New Roman"><span
style='font-size:11.0pt;font-family:"Times New Roman"'>Extrafine:1 </span></font><font
size=2 face=Verdana><span style='font-size:10.0pt;font-family:Verdana'><o:p></o:p></span></font></p>
<p class=ecxmsonormal><font size=2 face="Times New Roman"><span
style='font-size:11.0pt;font-family:"Times New Roman"'> </span></font><font
size=2 face=Verdana><span style='font-size:10.0pt;font-family:Verdana'><o:p></o:p></span></font></p>
<p class=ecxmsonormal><font size=2 face="Times New Roman"><span
style='font-size:11.0pt;font-family:"Times New Roman"'>The lapw1 job crashes </span></font><font
size=2 face=Verdana><span style='font-size:10.0pt;font-family:Verdana'><o:p></o:p></span></font></p>
<p class=ecxmsonormal><font size=2 face="Times New Roman"><span
style='font-size:11.0pt;font-family:"Times New Roman"'>Can anybody tell me as
to how we can make the .machine file work?</span></font><font size=2
face=Verdana><span style='font-size:10.0pt;font-family:Verdana'><o:p></o:p></span></font></p>
<p class=ecxmsonormal><font size=2 face="Times New Roman"><span
style='font-size:11.0pt;font-family:"Times New Roman"'> </span></font><font
size=2 face=Verdana><span style='font-size:10.0pt;font-family:Verdana'><o:p></o:p></span></font></p>
<p class=ecxmsonormal><font size=2 face="Times New Roman"><span
style='font-size:11.0pt;font-family:"Times New Roman"'> </span></font><font
size=2 face=Verdana><span style='font-size:10.0pt;font-family:Verdana'><o:p></o:p></span></font></p>
<p class=ecxmsonormal><st1:GivenName w:st="on"><font size=2
face="Times New Roman"><span style='font-size:11.0pt;font-family:"Times New Roman"'>Suddhasattwa</span></font></st1:GivenName><font
size=2 face=Verdana><span style='font-size:11.0pt;font-family:Verdana'> <st1:Sn
w:st="on">Ghosh</st1:Sn> </span></font><font size=2 face=Verdana><span
style='font-size:10.0pt;font-family:Verdana'><o:p></o:p></span></font></p>
<p class=ecxmsonormal><font size=2 face="Times New Roman"><span
style='font-size:11.0pt;font-family:"Times New Roman"'> </span></font><font
size=2 face=Verdana><span style='font-size:10.0pt;font-family:Verdana'><o:p></o:p></span></font></p>
</div>
</div>
</body>
</html>