<div><div>I apologize for the delayed response.</div><div> </div><div>Indeed this problem is caused by the compiler. At first i tried to use the AMD optimized compiler (AOCC) and libraries (AOCL) according to the AMD manual (https://www.amd.com/en/developer/zen-software-studio/applications/spack/quantum-espresso.html), since then I have recompiled QE several more times on different distributions and in a slightly modified sequence, however in all these attempts I had never managed to do any calculations other than scf.</div><div> </div><div>QE compiled with the standard GNU libraries and compilers works fine for me (except for the slower computational speed).</div><div> </div><div>If I find a way to resolve the issues with the AMD compiler, I will post an update here.</div><div>Many thanks for all replies!</div><div> </div></div><div><div><span style="background-color:#ffffff;color:#1a1a1a;float:none;font-family:'ys text' , 'arial' , sans-serif;font-size:16px;font-style:normal;font-weight:400;text-align:start;text-decoration-color:initial;text-decoration-style:initial;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px">Sincerely,</span><br style="background-color:rgb( 255 , 255 , 255 );color:rgb( 26 , 26 , 26 );font-family:'ys text' , 'arial' , sans-serif;font-size:16px;font-style:normal;font-weight:400;text-align:start;text-decoration-color:initial;text-decoration-style:initial;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px" /><span style="background-color:#ffffff;color:#1a1a1a;float:none;font-family:'ys text' , 'arial' , sans-serif;font-size:16px;font-style:normal;font-weight:400;text-align:start;text-decoration-color:initial;text-decoration-style:initial;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px"> Kuznetsov Maksim,</span><br style="background-color:rgb( 255 , 255 , 255 );color:rgb( 26 , 26 , 26 );font-family:'ys text' , 'arial' , sans-serif;font-size:16px;font-style:normal;font-weight:400;text-align:start;text-decoration-color:initial;text-decoration-style:initial;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px" /><span style="background-color:#ffffff;color:#1a1a1a;float:none;font-family:'ys text' , 'arial' , sans-serif;font-size:16px;font-style:normal;font-weight:400;text-align:start;text-decoration-color:initial;text-decoration-style:initial;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px"> Masters student,</span><br style="background-color:rgb( 255 , 255 , 255 );color:rgb( 26 , 26 , 26 );font-family:'ys text' , 'arial' , sans-serif;font-size:16px;font-style:normal;font-weight:400;text-align:start;text-decoration-color:initial;text-decoration-style:initial;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px" /><span style="background-color:#ffffff;color:#1a1a1a;float:none;font-family:'ys text' , 'arial' , sans-serif;font-size:16px;font-style:normal;font-weight:400;text-align:start;text-decoration-color:initial;text-decoration-style:initial;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px"> Kazan Federal University.</span></div></div><div><br /></div><div><br /></div><div>25.03.2024, 13:24, "Lorenzo Paulatto" <lorenzo.paulatto@cnrs.fr>:</div><blockquote>
<div 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="5b9634d4c5f0a371e6378bc999480cfemoz-cite-prefix">On 3/25/24 11:05, Paolo Giannozzi
      wrote:<br />
    </div>
    <blockquote>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>25.03.2024, 11:02, "Paolo Giannozzi"
        <a class="1f85fe41a9161661477b40489dd2f552moz-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,
        <span class="1f1ea193f6735cf0wmi-callto">+39-0432-558216</span>
        <br />
        <br />
          Sincerely,
        <br />
          Kuznetsov Maksim,
        <br />
          Masters student,
        <br />
          Kazan Federal University.
        <br />
      </blockquote>
      <br />
    </blockquote>
    <div class="17a9648e597149ad25f4234f87338152moz-signature">-- <br />
      <small>Dr. Lorenzo Paulatto<br />
        IdR @ IMPMC - CNRS UMR 7590 & Sorbonne Université<br />
        phone: <span class="1f1ea193f6735cf0wmi-callto">+33 (0)1 442 79822</span> / skype: paulatz<br />
        <a class="56221ecd4cd88a7e220fd42e552d23b7moz-txt-link-freetext" href="http://www.impmc.upmc.fr/~paulatto/">http://www.impmc.upmc.fr/~paulatto/</a>
        - <a class="56221ecd4cd88a7e220fd42e552d23b7moz-txt-link-freetext" href="https://anharmonic.github.io/">https://anharmonic.github.io/</a><br />
        23-24/423 B115, 4 place Jussieu 75252 Paris CX 05</small></div>
  </div>
,<p>_______________________________________________<br />The Quantum ESPRESSO community stands by the Ukrainian<br />people and expresses its concerns about the devastating<br />effects that the Russian military offensive has on their<br />country and on the free and peaceful scientific, cultural,<br />and economic cooperation amongst peoples<br />_______________________________________________<br />Quantum ESPRESSO is supported by MaX (<a href="https://www.max-centre.eu/">www.max-centre.eu</a>)<br />users mailing list <a href="mailto:users@lists.quantum-espresso.org">users@lists.quantum-espresso.org</a><br /><a href="https://lists.quantum-espresso.org/mailman/listinfo/users">https://lists.quantum-espresso.org/mailman/listinfo/users</a><br /></p></blockquote><div><br /></div><div><br /></div><div>-- </div><div style="background-color:rgb( 255 , 255 , 255 );color:rgb( 26 , 26 , 26 );font-family:'ys text' , 'arial' , sans-serif;font-size:16px;font-style:normal;font-weight:400;text-decoration-color:initial;text-decoration-style:initial;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px">С уважением, Максим</div><div style="background-color:rgb( 255 , 255 , 255 );color:rgb( 26 , 26 , 26 );font-family:'ys text' , 'arial' , sans-serif;font-size:16px;font-style:normal;font-weight:400;text-decoration-color:initial;text-decoration-style:initial;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px"> </div><div style="background-color:rgb( 255 , 255 , 255 );color:rgb( 26 , 26 , 26 );font-family:'ys text' , 'arial' , sans-serif;font-size:16px;font-style:normal;font-weight:400;text-decoration-color:initial;text-decoration-style:initial;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px">Магистрант кафедры общей физики</div><div style="background-color:rgb( 255 , 255 , 255 );color:rgb( 26 , 26 , 26 );font-family:'ys text' , 'arial' , sans-serif;font-size:16px;font-style:normal;font-weight:400;text-decoration-color:initial;text-decoration-style:initial;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px">Института физики ФГАОУ ВО К(П)ФУ,</div><div style="background-color:rgb( 255 , 255 , 255 );color:rgb( 26 , 26 , 26 );font-family:'ys text' , 'arial' , sans-serif;font-size:16px;font-style:normal;font-weight:400;text-decoration-color:initial;text-decoration-style:initial;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px">инженер-проектировщик</div><div style="background-color:rgb( 255 , 255 , 255 );color:rgb( 26 , 26 , 26 );font-family:'ys text' , 'arial' , sans-serif;font-size:16px;font-style:normal;font-weight:400;text-decoration-color:initial;text-decoration-style:initial;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px">НИЛ Квантовые симуляторы ФГАОУ ВО К(П)ФУ</div><div style="background-color:rgb( 255 , 255 , 255 );color:rgb( 26 , 26 , 26 );font-family:'ys text' , 'arial' , sans-serif;font-size:16px;font-style:normal;font-weight:400;text-decoration-color:initial;text-decoration-style:initial;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px">420008, г. Казань, ул. Кремлевская 18.</div><div style="background-color:rgb( 255 , 255 , 255 );color:rgb( 26 , 26 , 26 );font-family:'ys text' , 'arial' , sans-serif;font-size:16px;font-style:normal;font-weight:400;text-decoration-color:initial;text-decoration-style:initial;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px"> </div><div><br /></div>