<!DOCTYPE html>
<html data-lt-installed="true">
  <head>
    <meta http-equiv="Content-Type" content="text/html; charset=UTF-8">
  </head>
  <body style="padding-bottom: 1px;">
    <p>I had this sort of errors with the flang-based compilers, maybe
      the new Intel ifx could also cause this ?</p>
    <p><br>
    </p>
    <div class="moz-cite-prefix">On 3/25/24 11:05, Paolo Giannozzi
      wrote:<br>
    </div>
    <blockquote type="cite"
      cite="mid:c73ad7d6-78b5-4bf7-9391-6ebd50349b90@uniud.it">I am
      afraid (for you) that the origin of your problem is in your
      compiler. There is nothing wrong in your xml file: it looks
      exactly like the one that I generate and subsequently read
      <br>
      <br>
      Paolo
      <br>
      On 3/25/24 09:33, Максим Кузнецов wrote:
      <br>
      <blockquote type="cite">25.03.2024, 11:02, "Paolo Giannozzi"
        <a class="moz-txt-link-rfc2396E" href="mailto:paolo.giannozzi@uniud.it"><paolo.giannozzi@uniud.it></a>:
        <br>
        <br>
            I don't see how what you describe may happen, unless:
        <br>
            - you are reading data files produced by earlier code
        versions, or
        <br>
            - you are using some exotic, little-tested option.
        <br>
            Please provide the input data and maybe also the xml data
        produced in
        <br>
            the scf run
        <br>
        <br>
            Paolo
        <br>
        <br>
            On 3/24/24 19:30, Максим Кузнецов wrote:
        <br>
        <br>
        <br>
                  Dear users,
        <br>
                  I encountered the following problem:
        <br>
                  sсf calculation works correctly, but when I try to run
        nscf
        <br>
                calculation
        <br>
                  I get the following error:
        <br>
                     Atomic positions and unit cell read from directory:
        <br>
                        ./out/KFeS2.save/
        <br>
                        Message from routine qes_read:symmetriesType:
        <br>
                        error reading nsym
        <br>
                
   %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
                        Error in routine qes_read: matrixType (10):
        <br>
                        required attribute rank not found, can't read
        further,
        <br>
                stopping
        <br>
                
   %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
                  However all tests in test-suite passed.
        <br>
                  QE version 7.3.1
        <br>
                  I'll be very grateful for reply!
        <br>
        <br>
        <br>
        <br>
                  Sincerely,
        <br>
                  Kuznetsov Maksim,
        <br>
                  Masters student,
        <br>
                  Kazan Federal University.
        <br>
        <br>
            --
        <br>
            Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e
        Fisiche,
        <br>
            Univ. Udine, via delle Scienze 208, 33100 Udine Italy,
        +39-0432-558216
        <br>
        <br>
          Sincerely,
        <br>
          Kuznetsov Maksim,
        <br>
          Masters student,
        <br>
          Kazan Federal University.
        <br>
      </blockquote>
      <br>
    </blockquote>
    <div class="moz-signature">-- <br>
      <small>Dr. Lorenzo Paulatto<br>
        IdR @ IMPMC - CNRS UMR 7590 & Sorbonne Université<br>
        phone: +33 (0)1 442 79822 / skype: paulatz<br>
        <a href="http://www.impmc.upmc.fr/~paulatto/"
          class="moz-txt-link-freetext">http://www.impmc.upmc.fr/~paulatto/</a>
        - <a href="https://anharmonic.github.io/"
          class="moz-txt-link-freetext">https://anharmonic.github.io/</a><br>
        23-24/423 B115, 4 place Jussieu 75252 Paris CX 05<small></small></small></div>
  </body>
  <lt-container></lt-container>
</html>