<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:m="http://schemas.microsoft.com/office/2004/12/omml" xmlns="http://www.w3.org/TR/REC-html40">
<head>
<meta http-equiv="Content-Type" content="text/html; charset=utf-8">
<meta name="Generator" content="Microsoft Word 15 (filtered medium)">
<style><!--
/* Font Definitions */
@font-face
{font-family:"Cambria Math";
panose-1:2 4 5 3 5 4 6 3 2 4;}
@font-face
{font-family:Calibri;
panose-1:2 15 5 2 2 2 4 3 2 4;}
/* Style Definitions */
p.MsoNormal, li.MsoNormal, div.MsoNormal
{margin:0cm;
font-size:11.0pt;
font-family:"Calibri",sans-serif;}
a:link, span.MsoHyperlink
{mso-style-priority:99;
color:blue;
text-decoration:underline;}
span.E-MailFormatvorlage19
{mso-style-type:personal-reply;
font-family:"Calibri",sans-serif;
color:windowtext;}
.MsoChpDefault
{mso-style-type:export-only;
font-family:"Calibri",sans-serif;
mso-fareast-language:EN-US;}
@page WordSection1
{size:612.0pt 792.0pt;
margin:70.85pt 70.85pt 2.0cm 70.85pt;}
div.WordSection1
{page:WordSection1;}
--></style><!--[if gte mso 9]><xml>
<o:shapedefaults v:ext="edit" spidmax="1026" />
</xml><![endif]--><!--[if gte mso 9]><xml>
<o:shapelayout v:ext="edit">
<o:idmap v:ext="edit" data="1" />
</o:shapelayout></xml><![endif]-->
</head>
<body lang="DE" link="blue" vlink="purple" style="word-wrap:break-word">
<div class="WordSection1">
<p class="MsoNormal"><span style="mso-fareast-language:EN-US">Hi Sumit<o:p></o:p></span></p>
<p class="MsoNormal"><span style="mso-fareast-language:EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-GB" style="mso-fareast-language:EN-US">Did you check the output file? Maybe, your job hit an execution time limit.<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-GB" style="mso-fareast-language:EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-GB" style="mso-fareast-language:EN-US">Matthias<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-GB" style="mso-fareast-language:EN-US"><o:p> </o:p></span></p>
<div style="border:none;border-top:solid #E1E1E1 1.0pt;padding:3.0pt 0cm 0cm 0cm">
<p class="MsoNormal" style="margin-left:35.4pt"><b>Von:</b> cp...@googlegroups.com <...@googlegroups.com>
<b>Im Auftrag von </b>sumit agrawal<br>
<b>Gesendet:</b> Samstag, 8. Mai 2021 10:24<br>
<b>An:</b> cp...@googlegroups.com<br>
<b>Betreff:</b> [CP2K:15315] Number of steps not matching<o:p></o:p></p>
</div>
<p class="MsoNormal" style="margin-left:35.4pt"><o:p> </o:p></p>
<div>
<p class="MsoNormal" style="margin-left:35.4pt">Hii,<o:p></o:p></p>
<div>
<p class="MsoNormal" style="margin-left:35.4pt"><o:p> </o:p></p>
</div>
<div>
<p class="MsoNormal" style="margin-left:35.4pt">I am trying to equilibrate my system for 2000 steps (1ps). And after completion of this I'm getting only 865 steps (0.43 ps) in my .ener file. Can anybody help me on this?<o:p></o:p></p>
</div>
<div>
<p class="MsoNormal" style="margin-left:35.4pt"><o:p> </o:p></p>
</div>
<div>
<p class="MsoNormal" style="margin-left:35.4pt">Thanks,<o:p></o:p></p>
</div>
<div>
<p class="MsoNormal" style="margin-left:35.4pt">Sumit<o:p></o:p></p>
</div>
</div>
<p class="MsoNormal" style="margin-left:35.4pt">-- <br>
You received this message because you are subscribed to the Google Groups "cp2k" group.<br>
To unsubscribe from this group and stop receiving emails from it, send an email to
<a href="mailto:cp2k+unsu...@googlegroups.com">cp2k+unsu...@googlegroups.com</a>.<br>
To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/CALSDoYZ7Q1cAK_X%3DO1OVxqNd2rcmYUXs8Gyf5t0LrfeFj6xrgw%40mail.gmail.com?utm_medium=email&utm_source=footer">
https://groups.google.com/d/msgid/cp2k/CALSDoYZ7Q1cAK_X%3DO1OVxqNd2rcmYUXs8Gyf5t0LrfeFj6xrgw%40mail.gmail.com</a>.<o:p></o:p></p>
</div>
</body>
</html>