<div dir="ltr">Do examples work?<br></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Wed, Sep 9, 2020 at 5:51 PM hamed asadi <<a href="mailto:hamedasadi70@gmail.com">hamedasadi70@gmail.com</a>> wrote:<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="auto">Dear Paolo; <div dir="auto">Both versions are 6.5.</div><div dir="auto"><br></div><div dir="auto">Hamed</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Wed, 9 Sep 2020, 19:15 Paolo Giannozzi, <<a href="mailto:p.giannozzi@gmail.com" target="_blank">p.giannozzi@gmail.com</a>> wrote:<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>Please verify that you are using the same versions of pw.x and gipaw.x to produce and read the xml file.</div><div><br></div><div>Paolo<br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Wed, Sep 9, 2020 at 1:13 PM hamed asadi <<a href="mailto:hamedasadi70@gmail.com" rel="noreferrer" target="_blank">hamedasadi70@gmail.com</a>> wrote:<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 style="color:rgb(0,0,0);font-family:arial,helvetica,sans-serif;font-size:16px">dear all,<br></div><div style="color:rgb(0,0,0);font-family:arial,helvetica,sans-serif;font-size:16px">I am trying to run 'efg' calculation for quartz and working on VMware. After scf calculation with mpirun and 2 cores, efg calculation lunched with "mpirun -n 2 /home/hamed/qe-6.5/qe-gipaw/bin/gipaw.x -in <<span id="gmail-m_7447348792978980719m_-2866158085840786657gmail-m_-132124151663257434gmail-m_-6379350398492711563gmail-OBJ_PREFIX_DWT196_com_zimbra_url" style="color:rgb(0,90,149)"><span id="gmail-m_7447348792978980719m_-2866158085840786657gmail-m_-132124151663257434gmail-m_-6379350398492711563gmail-OBJ_PREFIX_DWT205_com_zimbra_url"><a href="http://efg.in/" rel="nofollow noopener noreferrer noreferrer" style="color:rgb(0,90,149);text-decoration-line:none" target="_blank">efg.in</a></span></span>> efg.out and unfortunately faced with following error:</div><div style="color:rgb(0,0,0);font-family:arial,helvetica,sans-serif;font-size:16px"><pre style="white-space:pre-wrap">---------------------------------------------------------------------------------------------<br> Program GIPAW v.6.5 starts on 4Sep2020 at 8: 3:54 <br><br> This program is part of the open-source Quantum ESPRESSO suite<br> for quantum simulation of materials; please cite<br> "P. Giannozzi et al., J. Phys.:Condens. Matter <span id="gmail-m_7447348792978980719m_-2866158085840786657gmail-m_-132124151663257434gmail-m_-6379350398492711563gmail-m_-4429676169257420286OBJ_PREFIX_DWT218_com_zimbra_phone" style="color:rgb(0,90,149)"><a style="color:rgb(34,34,34)" rel="noreferrer">21 395502 (2009</a></span>);<br> "P. Giannozzi et al., J. Phys.:Condens. Matter <span id="gmail-m_7447348792978980719m_-2866158085840786657gmail-m_-132124151663257434gmail-m_-6379350398492711563gmail-m_-4429676169257420286OBJ_PREFIX_DWT219_com_zimbra_phone" style="color:rgb(0,90,149)"><a style="color:rgb(34,34,34)" rel="noreferrer">29 465901 (2017</a></span>);<br> URL <span id="gmail-m_7447348792978980719m_-2866158085840786657gmail-m_-132124151663257434gmail-m_-6379350398492711563gmail-m_-4429676169257420286OBJ_PREFIX_DWT220_com_zimbra_url" style="color:rgb(0,90,149)"><span id="gmail-m_7447348792978980719m_-2866158085840786657gmail-m_-132124151663257434gmail-m_-6379350398492711563gmail-m_-4429676169257420286OBJ_PREFIX_DWT223_com_zimbra_url"><span id="gmail-m_7447348792978980719m_-2866158085840786657gmail-m_-132124151663257434gmail-m_-6379350398492711563gmail-OBJ_PREFIX_DWT197_com_zimbra_url"><span id="gmail-m_7447348792978980719m_-2866158085840786657gmail-m_-132124151663257434gmail-m_-6379350398492711563gmail-OBJ_PREFIX_DWT206_com_zimbra_url"><a href="http://www.quantum-espresso.org/" rel="noopener nofollow noopener noreferrer noreferrer" style="color:rgb(0,90,149);text-decoration-line:none" target="_blank">http://www.quantum-espresso.org</a></span></span></span></span>", <br> in publications or presentations arising from this work. More details at<br> <span id="gmail-m_7447348792978980719m_-2866158085840786657gmail-m_-132124151663257434gmail-m_-6379350398492711563gmail-m_-4429676169257420286OBJ_PREFIX_DWT221_com_zimbra_url" style="color:rgb(0,90,149)"><span id="gmail-m_7447348792978980719m_-2866158085840786657gmail-m_-132124151663257434gmail-m_-6379350398492711563gmail-m_-4429676169257420286OBJ_PREFIX_DWT224_com_zimbra_url"><span id="gmail-m_7447348792978980719m_-2866158085840786657gmail-m_-132124151663257434gmail-m_-6379350398492711563gmail-OBJ_PREFIX_DWT198_com_zimbra_url"><span id="gmail-m_7447348792978980719m_-2866158085840786657gmail-m_-132124151663257434gmail-m_-6379350398492711563gmail-OBJ_PREFIX_DWT207_com_zimbra_url"><a href="http://www.quantum-espresso.org/quote" rel="noopener nofollow noopener noreferrer noreferrer" style="color:rgb(0,90,149);text-decoration-line:none" target="_blank">http://www.quantum-espresso.org/quote</a></span></span></span></span><br><br> Serial version<br><br> ***** This is GIPAW git revision e4e5b4705a4bd05b622cb47ab228b3cc73e24bfb *****<br> ***** you can cite: N. Varini et al., Comp. Phys. Comm. <span id="gmail-m_7447348792978980719m_-2866158085840786657gmail-m_-132124151663257434gmail-m_-6379350398492711563gmail-m_-4429676169257420286OBJ_PREFIX_DWT222_com_zimbra_phone" style="color:rgb(0,90,149)"><a style="color:rgb(34,34,34)" rel="noreferrer">184, 1827 (2013</a></span>) *****<br> ***** in publications or presentations arising from this work. *****<br><br> Parallelizing q-star over 1 images<br><br> Reading xml data from directory:<br><br> /home/hamed/Desktop/quartz/out/scf.savescf.save/<br> Message from routine qexsd_readschema :<br> xml data file /home/hamed/Desktop/quartz/out/scf.savescf.save/data-file-schema.x<br><br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br> Error in routine read_xml_file (1):<br> fatal error reading xml file<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br> stopping ...<br>-------------------------------------------------------<br>Primary job terminated normally, but 1 process returned<br>a non-zero exit code.. Per user-direction, the job has been aborted.<br>-------------------------------------------------------<br>--------------------------------------------------------------------------<br>mpirun detected that one or more processes exited with non-zero status, thus causing<br>the job to be terminated. The first process to do so was:<br><br> Process name: [[5058,1],0]<br> Exit code: 1<br>--------------------------------------------------------------------------</pre>The output directory cheeked and xml file is presented. here is the input file:<br></div><div style="color:rgb(0,0,0);font-family:arial,helvetica,sans-serif;font-size:16px"><br></div><div style="color:rgb(0,0,0);font-family:arial,helvetica,sans-serif;font-size:16px">&inputgipaw<br>job = 'efg'<br>prefix = 'scf'<br>tmp_dir = '/home/hamed/Desktop/quartz/out/scf.save'<br>diagonalization = 'cg'<br>verbosity = 'high'<br>q_gipaw = 0.01<br>spline_ps = .true.<br>use_nmr_macroscopic_shape = .true.<br>Q_efg(1) = 1.000<br>Q_efg(2) = -2.558<br>/<br></div><div style="color:rgb(0,0,0);font-family:arial,helvetica,sans-serif;font-size:16px"><br></div><div style="color:rgb(0,0,0);font-family:arial,helvetica,sans-serif;font-size:16px">I will appreciate any helps in this subject.<br></div><div style="color:rgb(0,0,0);font-family:arial,helvetica,sans-serif;font-size:16px">Truly yours,<br></div><div style="color:rgb(0,0,0);font-family:arial,helvetica,sans-serif;font-size:16px">Hamed Asadi<br></div><div style="color:rgb(0,0,0);font-family:arial,helvetica,sans-serif;font-size:16px">KN Toosi university of technology</div></div>
_______________________________________________<br>
Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu/quantum-espresso" rel="noreferrer noreferrer" target="_blank">www.max-centre.eu/quantum-espresso</a>)<br>
users mailing list <a href="mailto:users@lists.quantum-espresso.org" rel="noreferrer" target="_blank">users@lists.quantum-espresso.org</a><br>
<a href="https://lists.quantum-espresso.org/mailman/listinfo/users" rel="noreferrer noreferrer" target="_blank">https://lists.quantum-espresso.org/mailman/listinfo/users</a></blockquote></div><br clear="all"><br>-- <br><div dir="ltr"><div dir="ltr"><div><div dir="ltr"><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><br></div></div></div></div></div>
_______________________________________________<br>
Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu/quantum-espresso" rel="noreferrer noreferrer" target="_blank">www.max-centre.eu/quantum-espresso</a>)<br>
users mailing list <a href="mailto:users@lists.quantum-espresso.org" rel="noreferrer" target="_blank">users@lists.quantum-espresso.org</a><br>
<a href="https://lists.quantum-espresso.org/mailman/listinfo/users" rel="noreferrer noreferrer" target="_blank">https://lists.quantum-espresso.org/mailman/listinfo/users</a></blockquote></div>
_______________________________________________<br>
Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu/quantum-espresso" rel="noreferrer" target="_blank">www.max-centre.eu/quantum-espresso</a>)<br>
users mailing list <a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a><br>
<a href="https://lists.quantum-espresso.org/mailman/listinfo/users" rel="noreferrer" target="_blank">https://lists.quantum-espresso.org/mailman/listinfo/users</a></blockquote></div><br clear="all"><br>-- <br><div dir="ltr" class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><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><br></div></div></div></div></div>