<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_-6379350398492711563gmail-OBJ_PREFIX_DWT196_com_zimbra_url" style="color:rgb(0,90,149)"><span id="gmail-m_-6379350398492711563gmail-OBJ_PREFIX_DWT205_com_zimbra_url"><a href="http://efg.in/" rel="nofollow noopener noreferrer" target="_blank" style="color:rgb(0,90,149);text-decoration-line:none">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_-6379350398492711563gmail-m_-4429676169257420286OBJ_PREFIX_DWT218_com_zimbra_phone" style="color:rgb(0,90,149)"><a style="color:rgb(34,34,34)">21 395502 (2009</a></span>);<br>         "P. Giannozzi et al., J. Phys.:Condens. Matter <span id="gmail-m_-6379350398492711563gmail-m_-4429676169257420286OBJ_PREFIX_DWT219_com_zimbra_phone" style="color:rgb(0,90,149)"><a style="color:rgb(34,34,34)">29 465901 (2017</a></span>);<br>          URL <span id="gmail-m_-6379350398492711563gmail-m_-4429676169257420286OBJ_PREFIX_DWT220_com_zimbra_url" style="color:rgb(0,90,149)"><span id="gmail-m_-6379350398492711563gmail-m_-4429676169257420286OBJ_PREFIX_DWT223_com_zimbra_url"><span id="gmail-m_-6379350398492711563gmail-OBJ_PREFIX_DWT197_com_zimbra_url"><span id="gmail-m_-6379350398492711563gmail-OBJ_PREFIX_DWT206_com_zimbra_url"><a href="http://www.quantum-espresso.org/" rel="noopener nofollow noopener noreferrer" target="_blank" style="color:rgb(0,90,149);text-decoration-line:none">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_-6379350398492711563gmail-m_-4429676169257420286OBJ_PREFIX_DWT221_com_zimbra_url" style="color:rgb(0,90,149)"><span id="gmail-m_-6379350398492711563gmail-m_-4429676169257420286OBJ_PREFIX_DWT224_com_zimbra_url"><span id="gmail-m_-6379350398492711563gmail-OBJ_PREFIX_DWT198_com_zimbra_url"><span id="gmail-m_-6379350398492711563gmail-OBJ_PREFIX_DWT207_com_zimbra_url"><a href="http://www.quantum-espresso.org/quote" rel="noopener nofollow noopener noreferrer" target="_blank" style="color:rgb(0,90,149);text-decoration-line:none">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_-6379350398492711563gmail-m_-4429676169257420286OBJ_PREFIX_DWT222_com_zimbra_phone" style="color:rgb(0,90,149)"><a style="color:rgb(34,34,34)">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>