<div dir="auto">Problem is solved now. I just replaced all zeros by 0.0 and it worked fine. Thanks for replies.</div><br><div class="gmail_quote"><div dir="ltr">On Fri, Aug 31, 2018, 12:48 AM Paolo Giannozzi <<a href="mailto:p.giannozzi@gmail.com">p.giannozzi@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div dir="ltr">There is nothing wrong in the parser of the old version, as far as I know, but there might be a compilation problem, or a mismatch between C and fortran, affecting it. I have never ever seen such problem.<br></div></div><div class="gmail_extra"><br><div class="gmail_quote">On Thu, Aug 30, 2018 at 8:08 PM, Asad Mahmood <span dir="ltr"><<a href="mailto:amahmood@phys.qau.edu.pk" target="_blank" rel="noreferrer">amahmood@phys.qau.edu.pk</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div dir="ltr">Thanks for the reply. I tried "mpirun -np 8 pw.x -in <a href="http://relax.in" target="_blank" rel="noreferrer">relax.in</a>" but still the same error. <br></div><div>Another thing I would like to add that when I run this calculation in my laptop's QE (v 6.2) then it worked fine. It means it has something to do with the version. Is it ?<br></div></div><div class="gmail_extra"><br><div class="gmail_quote">On Thu, Aug 30, 2018 at 10:58 PM, Paolo Giannozzi <span dir="ltr"><<a href="mailto:p.giannozzi@gmail.com" target="_blank" rel="noreferrer">p.giannozzi@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div>There is no error in your data, but "reading input from standard data" suggests that you are doing something like "pw.x < input_file". Try "pw.x -in input_file" instead. <br><br></div>Paolo<br></div><div class="gmail_extra"><br><div class="gmail_quote"><div><div class="m_4131221299300305254m_3041120052446649673h5">On Thu, Aug 30, 2018 at 7:48 PM, Asad Mahmood <span dir="ltr"><<a href="mailto:amahmood@phys.qau.edu.pk" target="_blank" rel="noreferrer">amahmood@phys.qau.edu.pk</a>></span> wrote:<br></div></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div><div class="m_4131221299300305254m_3041120052446649673h5"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div>Hi there,</div><div><br></div><div>I am trying to perform a 'relax' calculation for a supercell containing 16 atoms. I checked it carefully. The error appears in output file :</div><br><div> Program PWSCF v.5.2.0 starts on 30Aug2018 at 22:15:48<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 21 395502 (2009);<br> URL <a href="http://www.quantum-espresso.org" target="_blank" rel="noreferrer">http://www.quantum-espresso.org</a>",<br> in publications or presentations arising from this work. More details at<br> <a href="http://www.quantum-espresso.org/quote" target="_blank" rel="noreferrer">http://www.quantum-espresso.org/quote</a><br><br> Parallel version (MPI), running on 16 processors<br> R & G space division: proc/nbgrp/npool/nimage = 16<br> Waiting for input...<br> Reading input from standard input<br>Warning: card &CELL ignored<br>Warning: card / ignored<br>[eval_infix.c] A parsing error occurred<br>helper string:<br> 0.<br>error code:<br>Error: invalid token:<br><br>[eval_infix.c] A parsing error occurred<br>helper string:<br> 0.<br>error code:<br>Error: invalid token:<br><br>[eval_infix.c] A parsing error occurred<br>helper string:<br> 0.<br>error code:<br>Error: invalid token:<br><br>[eval_infix.c] A parsing error occurred<br>helper string:<br> 0.<br>error code:<br>Error: invalid token:<br><br>[eval_infix.c] A parsing error occurred<br>helper string:<br> 0.<br>error code:<br>Error: invalid token:<br><br>[eval_infix.c] A parsing error occurred<br>helper string:<br> 0.<br>error code:<br>Error: invalid token:<br><br>[eval_infix.c] A parsing error occurred<br>helper string:<br> 0.<br>error code:<br>Error: invalid token:<br><br>[eval_infix.c] A parsing error occurred<br>helper string:<br> 0.<br>error code:<br>Error: invalid token:<br><br>[eval_infix.c] A parsing error occurred<br>helper string:<br> 0.<br>error code:<br>Error: invalid token:<br><br>[eval_infix.c] A parsing error occurred<br>helper string:<br> 0.<br>error code:<br>Error: invalid token:<br><br>[eval_infix.c] A parsing error occurred<br>helper string:<br> 0.<br>error code:<br>Error: invalid token:<br><br>[eval_infix.c] A parsing error occurred<br>helper string:<br> 0.<br>error code:<br>Error: invalid token:<br><br>[eval_infix.c] A parsing error occurred<br>helper string:<br> 0.<br>error code:<br>Error: invalid token:<br><br>[eval_infix.c] A parsing error occurred<br>helper string:<br> 0.<br>error code:<br>Error: invalid token:<br><br><br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br> Error in routine card_atomic_positions (1):<br> Error while parsing atomic position card.<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br> stopping ...<br>[eval_infix.c] A parsing error occurred<br>helper string:<br> 0.<br>error code:<br>Error: invalid token:<br><br>[eval_infix.c] A parsing error occurred<br>helper string:<br> 0.<br>error code:<br>Error: invalid token:<br></div><div><br></div><div><br></div><div>I am attaching the input file. Please help me pointing out the error.<br></div></div></div></div></div></div>
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