<div dir="ltr"><div dir="ltr">On Mon, Feb 11, 2019 at 4:02 PM GAO Yuxiang <<a href="mailto:yxgao6-c@my.cityu.edu.hk">yxgao6-c@my.cityu.edu.hk</a>> wrote:<br></div><div class="gmail_quote"><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
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<div id="gmail-m_4580555610124185531divtagdefaultwrapper" style="font-size:12pt;color:rgb(0,0,0);font-family:Calibri,Helvetica,sans-serif" dir="ltr"><span style="font-family:courier,"courier new",monospace;font-size:14px;white-space:pre-wrap"><span style="font-family:Calibri,Helvetica,sans-serif;font-size:12pt">I don't </span></span><span style="font-family:courier,"courier new",monospace;font-size:14px;white-space:pre-wrap"><span style="font-family:Calibri,Helvetica,sans-serif;font-size:12pt">know how to get </span><span style="color:rgb(33,33,33);font-family:Calibri,Helvetica,sans-serif;font-size:12pt">the modified "run_example" script.</span></span></div></div></blockquote><div><br></div><div>Your original message seemed to imply that you just modified the example by just changing two variables.<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr"><div id="gmail-m_4580555610124185531divtagdefaultwrapper" style="font-size:12pt;color:rgb(0,0,0);font-family:Calibri,Helvetica,sans-serif" dir="ltr"><span style="font-family:courier,"courier new",monospace;font-size:14px;white-space:pre-wrap"><span style="color:rgb(33,33,33);font-family:Calibri,Helvetica,sans-serif;font-size:12pt">
</span></span><span style="font-family:courier,"courier new",monospace;font-size:14px;white-space:pre-wrap"><span style="font-family:Calibri,Helvetica,sans-serif;font-size:12pt"></span></span><p style="margin-top:0px;margin-bottom:0px"><span style="font-family:courier,"courier new",monospace;font-size:14px;white-space:pre-wrap"><span style="font-family:Calibri,Helvetica,sans-serif;font-size:12pt">The input file of average.x
</span><span style="font-family:Calibri,Helvetica,sans-serif;font-size:12pt">is as follows:</span></span></p>
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<p style="margin-top:0px;margin-bottom:0px"></p>
<div><span style="font-family:Calibri,Helvetica,sans-serif;font-size:12pt">1</span></div>
<div><span style="font-family:Calibri,Helvetica,sans-serif;font-size:12pt">Al100.pot</span></div>
<div><span style="font-family:Calibri,Helvetica,sans-serif;font-size:12pt">1.D0</span></div>
<div><span style="font-family:Calibri,Helvetica,sans-serif;font-size:12pt">1440</span></div>
<div><span style="font-family:Calibri,Helvetica,sans-serif;font-size:12pt">3</span></div>
<div><span style="font-family:Calibri,Helvetica,sans-serif;font-size:12pt">3.835000000</span></div></div></div></blockquote><div><br></div><div>it works (if you run average.x correctly: it reads data from terminal) <br></div><div><br></div><div>Paolo<br></div><div><br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr"><div id="gmail-m_4580555610124185531divtagdefaultwrapper" style="font-size:12pt;color:rgb(0,0,0);font-family:Calibri,Helvetica,sans-serif" dir="ltr">
<br>
<p></p><span style="font-family:Calibri,Helvetica,sans-serif;font-size:12pt">I just copy it from the </span><span style="font-family:Calibri,Helvetica,sans-serif;font-size:12pt">WorkFct-examples. </span>
<p style="margin-top:0px;margin-bottom:0px"><font face="Calibri, Helvetica, sans-serif, serif, EmojiFont"><br>
</font><span style="font-family:Calibri,Helvetica,sans-serif,serif,EmojiFont;font-size:16px"></span></p>
<pre style="font-family:courier,"courier new",monospace;font-size:14px;white-space:pre-wrap;margin-top:0px;margin-bottom:0px"><span style="font-family:Calibri,Helvetica,sans-serif;font-size:12pt">Thanks in advance.
</span></pre>
<pre style="font-family:courier,"courier new",monospace;font-size:14px;white-space:pre-wrap;margin-top:0px;margin-bottom:0px"><span style="font-family:Calibri,Helvetica,sans-serif;font-size:12pt"><br></span></pre>
<div>Best regards,</div>
<div>Gao Yuxiang </div>
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<div id="gmail-m_4580555610124185531divRplyFwdMsg" dir="ltr"><font style="font-size:11pt" face="Calibri, sans-serif" color="#000000"><b>发件人:</b> users <<a href="mailto:users-bounces@lists.quantum-espresso.org" target="_blank">users-bounces@lists.quantum-espresso.org</a>> 代表 Paolo Giannozzi <<a href="mailto:p.giannozzi@gmail.com" target="_blank">p.giannozzi@gmail.com</a>><br>
<b>发送时间:</b> 2019年2月11日 18:04:25<br>
<b>收件人:</b> Quantum Espresso users Forum<br>
<b>主题:</b> Re: [QE-users] Error in Average.x</font>
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<div>If you provide the modified "run_example" script, maybe somebody may help you.</div>
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<div>Paolo<br>
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<div dir="ltr" class="gmail-m_4580555610124185531x_gmail_attr">On Mon, Feb 11, 2019 at 6:28 AM GAO Yuxiang <<a href="mailto:yxgao6-c@my.cityu.edu.hk" target="_blank">yxgao6-c@my.cityu.edu.hk</a>> wrote:<br>
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<div id="gmail-m_4580555610124185531x_gmail-m_-3374311867186380584divtagdefaultwrapper" dir="ltr" style="font-size:12pt;color:rgb(0,0,0);font-family:Calibri,Helvetica,sans-serif">
<p style="margin-top:0px;margin-bottom:0px">Dear all,</p>
<p style="margin-top:0px;margin-bottom:0px"><br>
</p>
<p style="margin-top:0px;margin-bottom:0px">I'm trying to run the <span>WorkFct-examples by version 6.3, but average.x calculation returned an error</span></p>
<p style="margin-top:0px;margin-bottom:0px"><span></span></p>
<div> </div>
<div> task # 0</div>
<div> from average : error # 1</div>
<div> nfile is wrong </div>
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I only changed <span>pseudo_dir and <span>outdir, pw.x and pp.x calculation were right. I don't know why I got this error, because I used same infile as the example. Could you please help me out? Thank you very much.</span></span>
<p></p>
<p style="margin-top:0px;margin-bottom:0px"><span><span><span><br>
</span></span></span></p>
<p style="margin-top:0px;margin-bottom:0px"><span><span><span>Best regards,</span></span></span></p>
<p style="margin-top:0px;margin-bottom:0px"><span><span><span>Gao Yuxiang</span></span></span></p>
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-- <br>
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<div>Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>
Phone +39-0432-558216, fax +39-0432-558222<br>
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