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<p>Hi,</p>
<p>I suspect that you still have some special characters in your
input file(s). But you have to provide those files to check...</p>
<p>Cheers<br>
</p>
<div class="moz-cite-prefix">On 13.11.2021 01:45, 'joey zhang' via
cp2k wrote:<br>
</div>
<blockquote type="cite"
cite="mid:baf435c8-091b-492c-8d37-79a5209b04e7n@googlegroups.com">
<meta http-equiv="content-type" content="text/html; charset=UTF-8">
Thanks for your suggestions. however, a new problem emerges:<img
alt="problem.png" data-iml="1402675.599999994"
src="cid:3cbd195b-a801-4393-b538-7b516fa2010e"
moz-do-not-send="true" width="573px" height="150px"><font
color="#ff0000"> </font> I haver looked for information about
this problem in forum. They attribute this problem to the
weird kind in my input file, but i have checked my input file for
many times, but i can't find anyting wrong. All the input file are
listed above. Could you give me some help?<br>
<br>
<div class="gmail_quote">
<div dir="auto" class="gmail_attr">在2021年11月12日星期五 UTC+8
下午11:22:01<a class="moz-txt-link-rfc2396E" href="mailto:fabia...@gmail.com"><fabia...@gmail.com></a> 写道：<br>
</div>
<blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex;
border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
<div>
<p>Hi Joey,</p>
<p>You have special characters in your files which cp2k
cannot handle: <br>
</p>
<p>tabs (\t) in cp2k.inc and carriage return (\r) in
cp2k.inp</p>
<p>if you are on linux you can do the following:</p>
<p>sed -i.bak 's/\r//g;s/\t/ /g' cp2k.inp cp2k.inc</p>
<p>which will remove these characters or convert them to
spaces. This should solve your issue.<br>
</p>
<p>Cheers,</p>
<p>Fabian<br>
</p>
</div>
<div>
<div>On 12.11.2021 15:57, 'joey zhang' via cp2k wrote:<br>
</div>
</div>
<div>
<blockquote type="cite"> Thanks for your help, here is my
input file
<div class="gmail_quote">
<div dir="auto" class="gmail_attr">在2021年11月12日星期五 UTC+8
下午5:07:09<Matthias Krack> 写道：<br>
</div>
<blockquote class="gmail_quote" style="margin:0 0 0
0.8ex;border-left:1px solid
rgb(204,204,204);padding-left:1ex">
<div link="blue" vlink="purple" lang="EN-US">
<div>
<p class="MsoNormal"><span
style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d"
lang="DE-CH">Hi Joey</span></p>
<p class="MsoNormal"><span
style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d"
lang="DE-CH"> </span></p>
<p class="MsoNormal"><span
style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">Please,
provide the full CP2K input file. Otherwise,
one can only guess what the problem is.</span></p>
<p class="MsoNormal"><span
style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d"> </span></p>
<p class="MsoNormal"><span
style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">Matthias</span></p>
<p class="MsoNormal"><span
style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d"> </span></p>
</div>
</div>
<div link="blue" vlink="purple" lang="EN-US">
<div>
<div style="border:none;border-left:solid blue
1.5pt;padding:0cm 0cm 0cm 4.0pt">
<div>
<div style="border:none;border-top:solid
#e1e1e1 1.0pt;padding:3.0pt 0cm 0cm 0cm">
<p class="MsoNormal"><b><span
style="font-size:11.0pt;font-family:"Calibri",sans-serif"
lang="DE">Von:</span></b><span
style="font-size:11.0pt;font-family:"Calibri",sans-serif"
lang="DE"> 'joey zhang' via cp2k <<a
rel="nofollow" moz-do-not-send="true">cp...@googlegroups.com</a>>
<br>
<b>Gesendet:</b> Freitag, 12. November
2021 09:28<br>
<b>An:</b> cp2k <<a rel="nofollow"
moz-do-not-send="true">cp...@googlegroups.com</a>><br>
<b>Betreff:</b> [CP2K:16216] something
wrong with the section_ROOT</span></p>
</div>
</div>
<p class="MsoNormal"> </p>
<p class="MsoNormal">Hi, all</p>
<div>
<p class="MsoNormal"> i am new to cp2k,
please forgive me for my questions may be a
trival.</p>
<div>
<p class="MsoNormal">when i submit the AIMD
task on the server, it died immediately.
The cp2k.out presents that "found an
unknown keyword N in section_ROOT_". I
guess it might be something wrong with the
pseupotential or basis-set of element N.
But i did't find anything wrong. And i
also search the section_ROOT in the
manual, i found no results. Have you ever
met such problem?</p>
</div>
<div>
<p class="MsoNormal"><img
style="width:9.1875in;min-height:2.3854in"
src="https://groups.google.com/group/cp2k/attach/11e4693da4eac/image001.png?part=0.1&view=1"
alt="section_ROOT.png"
moz-do-not-send="true" width="882"
height="229"></p>
</div>
</div>
<div>
<p class="MsoNormal"> </p>
</div>
<div>
<p class="MsoNormal"><img
style="width:4.2395in;min-height:1.0625in"
src="https://groups.google.com/group/cp2k/attach/11e4693da4eac/image002.png?part=0.2&view=1"
alt="pseupotential.png"
moz-do-not-send="true" width="407"
height="102"></p>
</div>
<div>
<p class="MsoNormal"><br>
best wishes</p>
</div>
<div>
<p class="MsoNormal">joey</p>
</div>
</div>
</div>
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