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I am not sure that hp.x was already distributed in QE when the 6.4.1 version was released.
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<p>Yes, it was. In any case, it is better to use QE 6.7 because there were bug fixes.<br>
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<p>Greetings,</p>
<p>Iurii<br>
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<span style="font-family:Cambria,Georgia,serif">Dr. Iurii TIMROV</span><br>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>From:</b> users <users-bounces@lists.quantum-espresso.org> on behalf of Pietro Delugas <pdelugas@sissa.it><br>
<b>Sent:</b> Friday, January 15, 2021 9:31:52 AM<br>
<b>To:</b> Quantum ESPRESSO users Forum<br>
<b>Subject:</b> Re: [QE-users] hp.x error in Cygwin64 Terminal</font>
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<p class="MsoNormal"><span class="DefaultFontHxMailStyle"><span style="font-size:12.0pt">Hello
<o:p></o:p></span></span></p>
<p class="MsoNormal"><span class="DefaultFontHxMailStyle"><span style="font-size:12.0pt"><o:p> </o:p></span></span></p>
<p class="MsoNormal"><span class="DefaultFontHxMailStyle"><span style="font-size:12.0pt">The problem is on the supercomputer side. I am not sure that hp.x was already distributed in QE when the 6.4.1 version was released.
<o:p></o:p></span></span></p>
<p class="MsoNormal"><span class="DefaultFontHxMailStyle"><span style="font-size:12.0pt">Have you checked that the hp.x executable is in the executable path ?
<o:p></o:p></span></span></p>
<p class="MsoNormal"><span class="DefaultFontHxMailStyle"><span style="font-size:12.0pt">Regards – Pietro
<o:p></o:p></span></span></p>
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<p class="MsoNormal" style="border:none;padding:0in"><b>From: </b><a href="mailto:manjunhan2@naver.com"><span style="font-family:"Batang",serif">한현구</span></a><br>
<b>Sent: </b>Friday, January 15, 2021 4:17 AM<br>
<b>To: </b><a href="mailto:users@lists.quantum-espresso.org">users@lists.quantum-espresso.org</a><br>
<b>Subject: </b>[QE-users] hp.x error in Cygwin64 Terminal</p>
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<p class="MsoNormal"><span class="DefaultFontHxMailStyle"><span style="font-size:12.0pt"><o:p> </o:p></span></span></p>
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<p><span style="font-size:10.0pt;font-family:"Gulim",sans-serif">Hello, everyone using quantum-espresso!!!<o:p></o:p></span></p>
<p><span style="font-size:10.0pt;font-family:"Gulim",sans-serif">I am a graduate school student in South Korea. I faced some problems in hp calculation(linear response method). I read shared documentations in quantum-espresso. But I still don`t know why hp
calculation failed in Cygwin64 Terminal environment. And I share my hp script file and input file for better solution. Cygwin64 Terminal is to use my lab supercomputer.<o:p></o:p></span></p>
<p><span style="font-size:10.0pt;font-family:"Gulim",sans-serif"> <o:p></o:p></span></p>
<p><span style="font-size:10.0pt;font-family:"Gulim",sans-serif">1. hp input file<o:p></o:p></span></p>
<p><span style="font-size:10.0pt;font-family:"Gulim",sans-serif">==================================================<o:p></o:p></span></p>
<p><span style="font-size:10.0pt;font-family:"Gulim",sans-serif"> &inputhp<o:p></o:p></span></p>
<p><span style="font-size:10.0pt;font-family:"Gulim",sans-serif"> prefix = 'NiO2',<o:p></o:p></span></p>
<p><span style="font-size:10.0pt;font-family:"Gulim",sans-serif"> outdir = './outdir',<o:p></o:p></span></p>
<p><span style="font-size:10.0pt;font-family:"Gulim",sans-serif"> nq1 = 2, nq2 = 2, nq3 = 1,<o:p></o:p></span></p>
<p><span style="font-size:10.0pt;font-family:"Gulim",sans-serif"> conv_thr_chi = 1.0d-8,<o:p></o:p></span></p>
<p><span style="font-size:10.0pt;font-family:"Gulim",sans-serif"> iverbosity = 2<o:p></o:p></span></p>
<p><span style="font-size:10.0pt;font-family:"Gulim",sans-serif"> /<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:10.0pt;font-family:"Gulim",sans-serif">==================================================<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:10.0pt;font-family:"Gulim",sans-serif"><o:p> </o:p></span></p>
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<p class="MsoNormal"><span style="font-size:10.0pt;font-family:"Gulim",sans-serif"><o:p> </o:p></span></p>
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<p class="MsoNormal"><span style="font-size:10.0pt;font-family:"Gulim",sans-serif">2. hp.x script for using supercomputer in my lab server<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:10.0pt;font-family:"Gulim",sans-serif"><o:p> </o:p></span></p>
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<p class="MsoNormal"><span style="font-size:10.0pt;font-family:"Gulim",sans-serif">==================================================<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:10.0pt;font-family:"Gulim",sans-serif"><o:p> </o:p></span></p>
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<p class="MsoNormal"><span style="font-size:10.0pt;font-family:"Gulim",sans-serif">#!/bin/bash<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:10.0pt;font-family:"Gulim",sans-serif"><o:p> </o:p></span></p>
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<p class="MsoNormal"><span style="font-size:10.0pt;font-family:"Gulim",sans-serif">#PBS -l nodes=1:ppn=8<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:10.0pt;font-family:"Gulim",sans-serif">#PBS -N NiO2.hp<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:10.0pt;font-family:"Gulim",sans-serif">#PBS -q workq<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:10.0pt;font-family:"Gulim",sans-serif"><o:p> </o:p></span></p>
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<p class="MsoNormal"><span style="font-size:10.0pt;font-family:"Gulim",sans-serif">#PBS -r n<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:10.0pt;font-family:"Gulim",sans-serif">#PBS -j oe<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:10.0pt;font-family:"Gulim",sans-serif"><o:p> </o:p></span></p>
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<p class="MsoNormal"><span style="font-size:10.0pt;font-family:"Gulim",sans-serif">cd $PBS_O_WORKDIR<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:10.0pt;font-family:"Gulim",sans-serif"><o:p> </o:p></span></p>
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<p class="MsoNormal"><span style="font-size:10.0pt;font-family:"Gulim",sans-serif">MPI_EXEC="/opt/mpi/intel-14.0/openmpi-4.0.3/bin/mpirun"<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:10.0pt;font-family:"Gulim",sans-serif">NPROC=`wc -l < $PBS_NODEFILE`<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:10.0pt;font-family:"Gulim",sans-serif"><o:p> </o:p></span></p>
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<p class="MsoNormal"><span style="font-size:10.0pt;font-family:"Gulim",sans-serif">$MPI_EXEC -machinefile $PBS_NODEFILE -n $NPROC hp.x < NiO2.hp.in > NiO2.hp.out<o:p></o:p></span></p>
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<p><span style="font-size:10.0pt;font-family:"Gulim",sans-serif"> <o:p></o:p></span></p>
<p><span style="font-size:10.0pt;font-family:"Gulim",sans-serif">========================================================================<o:p></o:p></span></p>
<p><span style="font-size:10.0pt;font-family:"Gulim",sans-serif"> <o:p></o:p></span></p>
<p><span style="font-size:10.0pt;font-family:"Gulim",sans-serif">3. hp output file<o:p></o:p></span></p>
<p><span style="font-size:10.0pt;font-family:"Gulim",sans-serif"> <o:p></o:p></span></p>
<p><span style="font-size:10.0pt;font-family:"Gulim",sans-serif">======================================================================= <o:p></o:p></span></p>
<p><span style="font-size:10.0pt;font-family:"Gulim",sans-serif">8 total processes failed to start<o:p></o:p></span></p>
<p><span style="font-size:10.0pt;font-family:"Gulim",sans-serif">=======================================================================<o:p></o:p></span></p>
<p><span style="font-size:10.0pt;font-family:"Gulim",sans-serif"> <o:p></o:p></span></p>
<p><span style="font-size:10.0pt;font-family:"Gulim",sans-serif">I personally think that it is not a input file problem. But Rather, it is a hp script error or executable error. My Quantum-espresso version 6.4.1.<o:p></o:p></span></p>
<p><span style="font-size:10.0pt;font-family:"Gulim",sans-serif">and I used correct pseudopotentials that are given by quantum espresso pseudopotential. Thank you!!!<o:p></o:p></span></p>
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