It seems to be exactly what i need. Thanks a lot.<div class="gmail_quote"><div dir="auto" class="gmail_attr">在2021年11月16日星期二 UTC+8 下午11:08:13<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>Maybe have a look here:
<a href="https://askubuntu.com/questions/74485/how-to-display-hidden-characters-in-vim" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=zh-CN&q=https://askubuntu.com/questions/74485/how-to-display-hidden-characters-in-vim&source=gmail&ust=1637161748640000&usg=AFQjCNFacXzlqgPmzNGCSRtdTLpD2sHRdA">https://askubuntu.com/questions/74485/how-to-display-hidden-characters-in-vim</a></p></div><div>
<div>On 16.11.2021 15:51, 'joey zhang' via
cp2k wrote:<br>
</div>
</div><div><blockquote type="cite">
Thanks to your help. The input files have been upload in the
previous answers three days before, or could you tell me how to
find these special characters?<br>
<br>
<div class="gmail_quote">
<div dir="auto" class="gmail_attr">在2021年11月16日星期二 UTC+8
上午1:29:45<a href data-email-masked rel="nofollow"><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,</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>
<div>
<div>On 13.11.2021 01:45, 'joey zhang' via cp2k wrote:<br>
</div>
</div>
<div>
<blockquote type="cite"> Thanks for your suggestions.
however, a new problem emerges:<img alt="problem.png" 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 rel="nofollow"><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">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">
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