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<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>
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