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<p>Yes, it seems to be, as extracted from 'mpiexec --version':<br>
</p>
<p>Intel(R) MPI Library for Linux* OS, Version 2019 Build 20180829
(id: 15f5d6c0c)</p>
<p>C. Tiusan</p>
<p><br>
</p>
<div class="moz-cite-prefix">La 28/11/2018 14:48, Laurence Marks a
scris:<br>
</div>
<blockquote type="cite"
cite="mid:CANkSMZAoXx_crrOy=erxFMjY2dAROax70P1-vRetd-d=OiJ5qg@mail.gmail.com">
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<div dir="auto">
<div>Are you using mpi? If so, what flavor?</div>
<div dir="auto"><br>
</div>
<div dir="auto"><a
href="http://zeus.theochem.tuwien.ac.at/pipermail/wien/2018-November/028824.html"
moz-do-not-send="true">http://zeus.theochem.tuwien.ac.at/pipermail/wien/2018-November/028824.html</a><br>
<br>
<div data-smartmail="gmail_signature" dir="auto">_____<br>
Professor Laurence Marks<br>
"Research is to see what everybody else has seen, and to
think what nobody else has thought", Albert Szent-Gyorgi<br>
<a href="http://www.numis.northwestern.edu"
moz-do-not-send="true">www.numis.northwestern.edu</a></div>
<br>
<div class="gmail_quote" dir="auto">
<div dir="ltr">On Wed, Nov 28, 2018, 6:41 AM Coriolan TIUSAN
<<a href="mailto:coriolan.tiusan@phys.utcluj.ro"
moz-do-not-send="true">coriolan.tiusan@phys.utcluj.ro</a>
wrote:<br>
</div>
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex">Dear
wien2k users,<br>
<br>
I am running wien 18.2 on Ubuntu 18.04 , installed on a HP
station: <br>
64GB, Intel® Xeon(R) Gold 5118 CPU @ 2.30GHz × 48.<br>
<br>
The fortran compiler/math library are ifc and intel mkl
library. For <br>
parallel execution I have MPI+SCALAPACK, FFTW.<br>
<br>
For parallel execution (-p options +.machines), I have
dimensioned <br>
NMATMAX/NUME according to user guide. Therefore, standard
calculations <br>
in SCF loops turn well, without any memory paging issues,
about 90% of <br>
physical RAM being used.<br>
<br>
However, in supercells, once getting case.vector files,
when <br>
calculating bands (lapw1c -bands -p) with fine k
structure (e.g. above <br>
150-200k on line X-G-X), necessary because I am looking to
small Rashba <br>
shifts at metel-insulator interfaces...all available
physical memory <br>
plus a huge amount of swap (>100G) are filled/used...<br>
<br>
Any suggestion/ideea for overcoming this issue...without
adding <br>
additional RAM?<br>
<br>
Why in lapw1 -p for selfonsistance memory looks enough
while with switch <br>
-band overload memory?<br>
<br>
With thanks in advance,<br>
<br>
C. Tiusan<br>
<br>
<br>
<br>
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</blockquote>
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<pre class="moz-quote-pre" wrap="">_______________________________________________
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</pre>
</blockquote>
<pre class="moz-signature" cols="72">--
__________________________________________________________________
| Prof. Dr. Eng. Habil. Coriolan Viorel TIUSAN |
|--------------------------------------------------------------- |
| |
| Department of Physics and Chemistry |
| Technical University of Cluj-Napoca |
| |
| Center of Superconductivity, Spintronics and Surface Science |
| Str. Memorandumului No. 28, RO-400114 Cluj-Napoca, ROMANIA |
| |
| Tel: +40-264-401-465 Fax: +40-264-592-055 |
| Cell: +40-732-893-750 |
| e-mail: <a class="moz-txt-link-abbreviated" href="mailto:coriolan.tiusan@phys.utcluj.ro">coriolan.tiusan@phys.utcluj.ro</a> |
| web: <a class="moz-txt-link-freetext" href="http://www.c4s.utcluj.ro/">http://www.c4s.utcluj.ro/</a> |
|_______________________________________________________________ |
| |
| Senior Researcher |
| National Center of Scientific Research - FRANCE |
| e-mail: <a class="moz-txt-link-abbreviated" href="mailto:coriolan.tiusan@ijl.nancy-universite.fr">coriolan.tiusan@ijl.nancy-universite.fr</a> |
| web: <a class="moz-txt-link-freetext" href="http://www.c4s.utcluj.ro/webperso/tiusan/welcome.html">http://www.c4s.utcluj.ro/webperso/tiusan/welcome.html</a> |
|_________________________________________________________________|</pre>
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