Thanks for your suggestions. however, a new problem emerges:<img alt="problem.png" data-iml="1402675.599999994" width="573px" height="150px" src="cid:3cbd195b-a801-4393-b538-7b516fa2010e"><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<fabia...@gmail.com> 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">cp...@googlegroups.com</a>>
<br>
<b>Gesendet:</b> Freitag, 12. November 2021
09:28<br>
<b>An:</b> cp2k <<a rel="nofollow">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" 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" width="407" height="102"></p>
</div>
<div>
<p class="MsoNormal"><br>
best wishes</p>
</div>
<div>
<p class="MsoNormal">joey</p>
</div>
</div>
</div>
</div>
<div link="blue" vlink="purple" lang="EN-US">
<div>
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