<div dir="ltr"><div>Hi Lorenzo, the patch will be made available but will not go into the development branch: there is nothing wrong with the code, it's a problem of some old-ish compilers.</div><div><br></div><div>Paolo<br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Sun, Mar 24, 2019 at 3:26 PM Lorenzo Paulatto <<a href="mailto:paulatz@gmail.com">paulatz@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">Hello Pietro, <div dir="auto">Is this patch already in the git developer branch? Because I am getting a similar segfault on Bluegene with xlf, and I would like to test if the patch fixes it. Cheers <br><br><div dir="auto">-- <br>Lorenzo Paulatto<br>Written on a virtual keyboard with real fingers</div></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Fri, 22 Mar 2019, 17:16 Pietro Davide Delugas, <<a href="mailto:pdelugas@sissa.it" target="_blank">pdelugas@sissa.it</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">
  
    
  
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    <div class="gmail-m_-6667687110867118868m_-7375920767393983242moz-cite-prefix">Hello <br>
      could you try the attached  patch  ? <br>
      <br>
      copy the file in the q-e topdir and type <br>
      <br>
      patch -p1 --merge < patch_old_intel <br>
      <br>
      in case you wanted to undo the patch <br>
      <br>
      patch -R -p1 --merge < patch_old_intel <br>
      <br>
      please let me know  if it works <br>
      regards  Pietro <br>
      <br>
      On 03/22/2019 04:56 PM, Paolo Giannozzi wrote:<br>
    </div>
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      <div dir="ltr">
        <div>Some versions of the intel compiler miscompile the recently
          modified XML code. A patch will be released soon. Your
          make.inc is perfectly fine</div>
        <div> </div>
        <div>Paolo<br>
        </div>
        <br>
      </div>
      <br>
      <div class="gmail_quote">
        <div dir="ltr" class="gmail_attr">On Fri, Mar 22, 2019 at 4:42
          PM Hari Paudyal <<a href="mailto:hpaudya1@binghamton.edu" rel="noreferrer" target="_blank">hpaudya1@binghamton.edu</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 dir="ltr">
              <div dir="ltr">
                <div dir="ltr">
                  <div dir="ltr">
                    <div dir="ltr">
                      <div dir="ltr">
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                                  <div dir="ltr">Dear experts,
                                    <div><br>
                                    </div>
                                    <div>After the successful
                                      installation of qe-v6.4, pw.x
                                      gives segmentation fault after
                                      when it prints the first few lines
                                      as;</div>
                                    <div><br>
                                    </div>
                                    <div>
                                      <div>     Parallel version (MPI),
                                        running on     1 processors</div>
                                      <div><br>
                                      </div>
                                      <div>     MPI processes
                                        distributed on     1 nodes</div>
                                      <div>     Waiting for input...</div>
                                      <div>     Reading input from
                                        standard input</div>
                                      <div><br>
                                      </div>
                                      <div>     Current dimensions of
                                        program PWSCF are:</div>
                                      <div>     Max number of different
                                        atomic species (ntypx) = 10</div>
                                      <div>     Max number of k-points
                                        (npk) =  40000</div>
                                      <div>     Max angular momentum in
                                        pseudopotentials (lmaxx) =  3</div>
                                      <div>forrtl: severe (174):
                                        SIGSEGV, segmentation fault
                                        occurred</div>
                                    </div>
                                    <div><br>
                                    </div>
                                    <div>I had no problem
                                      compiling/running all the previous
                                      versions (even some of the
                                      development versions I have
                                      installed on 15Oct2018,
                                      20Jan2019). Since I am not an
                                      expert, I do not know what has
                                      been changed in the process of
                                      installation in this new released
                                      version v6.4, but I am pretty sure
                                      that nothing has been changed in
                                      my cluster regarding
                                      compilers/libraries. For info, I
                                      am using
                                      intel/composer_xe_2013.1.117.</div>
                                    <div><br>
                                    </div>
                                    <div>Further, If I look more
                                      carefully to the make.inc files
                                      generated after ./configure
                                      between qe-v6.3 and qe-v6.4, I
                                      found the following differences;</div>
                                    <div><br>
                                    </div>
                                    <div># TOPDIR = /home/hari/qe-6.3<br>
                                    </div>
                                    <div>DFLAGS         =  -D__FFTW
                                      -D__MPI </div>
                                    <div>
                                      <div>LIBS           = $(CUDA_LIBS)
                                        $(SCALAPACK_LIBS) $(LAPACK_LIBS)
                                        $(FOX_LIB) $(FFT_LIBS)
                                        $(BLAS_LIBS) $(MPI_LIBS)
                                        $(MASS_LIBS) $(HDF5_LIB)
                                        $(LD_LIBS)</div>
                                    </div>
                                    <div># Install directory - not
                                      currently used <br>
                                    </div>
                                    <div><br>
                                    </div>
                                    <div># TOPDIR = /home/hari/qe-6.4<br>
                                    </div>
                                    <div>DFLAGS         =  -D__DFTI
                                      -D__MPI  <br>
                                    </div>
                                    <div>
                                      <div>LIBXC_LIBS     =</div>
                                      <div>QELIBS         = $(CUDA_LIBS)
                                        $(SCALAPACK_LIBS) $(LAPACK_LIBS)
                                        $(FOX_LIB) $(FFT_LIBS)
                                        $(BLAS_LIBS) $(MPI_LIBS)
                                        $(MASS_LIBS) $(HDF5_LIB)
                                        $(LIBXC_LIBS) $(LD_LIBS)</div>
                                    </div>
                                    <div># Install directory - "make
                                      install" copies *.x executables
                                      there<br>
                                    </div>
                                    <div><br>
                                    </div>
                                    <div>If I have understood correctly,
                                      the problem is due to the MPI
                                      library. Also, the pw_user_guide
                                      says "MPI libraries need to be
                                      properly configured"
                                      (pw_user_guide-v6.4_page_20). But,
                                      why the previous versions work
                                      fine and the problem occurred only
                                      on this new released version v6.4?
                                      How this can be solved?</div>
                                    <div><br>
                                    </div>
                                    <div>I will be happy to see any
                                      comments/suggestions from experts.</div>
                                    <div><br>
                                    </div>
                                    <div>Thank you,</div>
                                    <div>Hari Paudyal</div>
                                    <div>SUNY-Binghamton</div>
                                    <div><br>
                                    </div>
                                    <div><br>
                                    </div>
                                  </div>
                                </div>
                              </div>
                            </div>
                          </div>
                        </div>
                      </div>
                    </div>
                  </div>
                </div>
              </div>
            </div>
          </div>
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      <br>
      -- <br>
      <div dir="ltr" class="gmail-m_-6667687110867118868m_-7375920767393983242gmail_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>
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    </blockquote>
    <p><br>
    </p>
  </div>

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_______________________________________________<br>
users mailing list<br>
<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>