<div dir="ltr"><div>For the problem with UPF files, see here:</div><div> <a href="https://gitlab.com/QEF/q-e/-/wikis/Support/Problem-downloading-pseudopotential-files">https://gitlab.com/QEF/q-e/-/wikis/Support/Problem-downloading-pseudopotential-files</a></div><div>It's not a problem of permissions so running the code with "sudo" has no effect (and is not recommended, never).</div><div>The error on shared objects is unrelated, is due to the way you define environment variables, is not a QE error. <br></div><div><br></div><div>Paolo<br></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Mon, Mar 14, 2022 at 6:46 PM Guerlek, Burak <<a href="mailto:burak.guerlek@mpl.mpg.de">burak.guerlek@mpl.mpg.de</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 lang="EN-GB">
<div class="gmail-m_2273515069314257725WordSection1">
<p class="MsoNormal"><span lang="EN-US">Dear Users,<u></u><u></u></span></p>
<p class="MsoNormal"><span lang="EN-US"><u></u> <u></u></span></p>
<p class="MsoNormal"><span lang="EN-US">I am new to the QE business and now trying to install it to a cluster. I read through the documentation and exploit several YouTube videos for the configuration. I installed all intel compiler+MKL+MPI
(2022 Intel oneAPI). Configuration and make steps successfully done for both v6.7 and v7.0, but when I did tests (run-tests-pwe-serial), where only 3 test pass. The rest fails due to non-readable UPF (see attached crash file in the attachment). I made the
pseudo folder rwx, but the error persists. I run it via sudo, then the error changes to “</span><span style="font-size:10pt;font-family:"Lucida Console";color:black" lang="EN-US">libmkl_scalapack_lp64.so.2: cannot open shared object file: No such file or
directory</span><span lang="EN-US">” (see test.err.1304… in the attachment). I am also attaching the make.inc file I use to configure. I check the path information of mpiirun, mpiifort, which are ok. ldd pw.x also returns the address of “</span><span style="font-size:10pt;font-family:"Lucida Console";color:black" lang="EN-US">libmkl_scalapack_lp64”
correctly.</span><span lang="EN-US"><u></u><u></u></span></p>
<p class="MsoNormal"><span lang="EN-US"><u></u> <u></u></span></p>
<p class="MsoNormal"><span lang="EN-US">I searched a similar problem in the mail server, but could not find a relevant one. I would be happy, if some of you could guide me through the installation process, which certainly I am missing
a point. <u></u><u></u></span></p>
<p class="MsoNormal"><span lang="EN-US"><u></u> <u></u></span></p>
<p class="MsoNormal"><span lang="EN-US">Best Regards,<u></u><u></u></span></p>
<p class="MsoNormal"><span lang="EN-US">Burak<u></u><u></u></span></p>
<p class="MsoNormal"><span lang="EN-US"><u></u> <u></u></span></p>
<p class="MsoNormal"><span lang="EN-US"><u></u> <u></u></span></p>
<p class="MsoNormal"><span lang="EN-US">Burak Gurlek<u></u><u></u></span></p>
<p class="MsoNormal"><span lang="EN-US">Doctoral student<u></u><u></u></span></p>
<p class="MsoNormal"><span lang="EN-US">Nano-Optics, Sandoghdar Division<u></u><u></u></span></p>
<p class="MsoNormal"><span lang="EN-US">Max Planck Institute for the Science of Light<u></u><u></u></span></p>
<p class="MsoNormal"><span lang="DE">Staudtstr. 2<u></u><u></u></span></p>
<p class="MsoNormal"><span lang="DE">D-91058 Erlangen, Germany<u></u><u></u></span></p>
<p class="MsoNormal"><span lang="DE"><u></u> <u></u></span></p>
<p class="MsoNormal"><span lang="DE">Tel: +49 9131 7133343<u></u><u></u></span></p>
<p class="MsoNormal"><span lang="EN-US">Website:
<a href="http://www.mpl.mpg.de/" target="_blank"><span style="color:blue">www.mpl.mpg.de</span></a> <u></u><u></u></span></p>
<p class="MsoNormal"><span lang="EN-US"><u></u> <u></u></span></p>
</div>
</div>
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<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 206, 33100 Udine, Italy<br>Phone +39-0432-558216, fax +39-0432-558222<br><br></div></div></div></div></div></div>