<div dir="ltr">Not sure if it will help your issue but Intel 17 update 2 (2017.2.174) is available.<br><div class="gmail_extra">Ye<br><br clear="all"></div><div class="gmail_extra"><div><div class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr">===================<br>
Ye Luo, Ph.D.<br>
Leadership Computing Facility<br>
Argonne National Laboratory</div></div></div>
<br><div class="gmail_quote">2017-03-17 15:03 GMT-05:00 Ari P Seitsonen <span dir="ltr"><<a href="mailto:Ari.P.Seitsonen@iki.fi" target="_blank">Ari.P.Seitsonen@iki.fi</a>></span>:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><br>
Dear Carlo,<br>
<br>
I do not have direct experience nor with QE, but I have seen this from another code:<br>
<br>
------------------------------<wbr>------------------------------<wbr>--------------<br>
Date: Fri, 27 Jan 2017 14:37:06 +0000<br>
From: Iain Bethune <<a href="mailto:i.bethune@epcc.ed.ac.uk" target="_blank">i.bethune@epcc.ed.ac.uk</a>><br>
Reply-To: <a href="mailto:cp2k@googlegroups.com" target="_blank">cp2k@googlegroups.com</a><br>
To: <a href="mailto:cp2k@googlegroups.com" target="_blank">cp2k@googlegroups.com</a><br>
Subject: Re: [CP2K:8598] error in qs_ks_methods.F depending on number of cores (intel compiler)<br>
<br>
Further to what I reported this morning, I found that the MKL release 2017.1.132 is buggy. I was able to get a successful build using the compiler from the 2017.1.132 release and MKL from the previous (2017.0.098) release.<br>
------------------------------<wbr>------------------------------<wbr>--------------<br>
<br>
Personally I had similar issues (again with CP2K), but I do not remember if it was with exactly that version; in any case I reverted from Intel v2017 to v2017 and I was able to run the code.<br>
<br>
Maybe not very useful, but... I would try with 'gfortran' (and OpenMPI, if possible).<br>
<br>
Greetings,<br>
<br>
apsi<br>
<br>
-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=<wbr>*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=<wbr>-=*=-=*=-=*=-=*=-<br>
Ari Paavo Seitsonen / <a href="mailto:Ari.P.Seitsonen@iki.fi" target="_blank">Ari.P.Seitsonen@iki.fi</a> / <a href="http://www.iki.fi/~apsi/" rel="noreferrer" target="_blank">http://www.iki.fi/~apsi/</a><br>
Ecole Normale Supérieure (ENS), Département de Chimie, Paris<br>
Mobile (F) : <a href="tel:%2B33%20789%2037%2024%2025" value="+33789372425" target="_blank">+33 789 37 24 25</a> (CH) : <a href="tel:%2B41%2079%2071%2090%20935" value="+41797190935" target="_blank">+41 79 71 90 935</a><br>
<br>
<br>
On Fri, 17 Mar 2017, Carlo Nervi wrote:<br>
<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Dear QE community,a colleague of mine is using Intel compiler and libraries to compile QE 6.1.<span class=""><br>
We used<br>
<br>
compilers_and_libraries_2017.1<wbr>.132<br>
and<br>
parallel_studio_xe_2017.1.043<br>
<br>
I got apparently normal results using "mpirun -np 21", but very different results using "mpirun -np 21 -nk 7", and relevant longer time of<br>
calculations.<br>
I suspect there is something wrong with libraries or mpi.<br>
Before to dig more deep in the debugging, do anybody is aware of any inconsistencies/anomalies using the mentioned compiler/libraries?<br>
<br>
We are using also docker...<br>
<br>
Thank you,<br>
Carlo<br>
<br>
--<br>
<br>
------------------------------<wbr>------------------------------<br>
Prof. Carlo Nervi <a href="mailto:carlo.nervi@unito.it" target="_blank">carlo.nervi@unito.it</a> Tel:<a href="tel:%2B39%200116707507%2F8" value="+3901167075078" target="_blank">+39 0116707507/8</a><br>
Fax: <a href="tel:%2B39%200116707855" value="+390116707855" target="_blank">+39 0116707855</a> - Dipartimento di Chimica, via<br>
P. Giuria 7, 10125 Torino, Italy. <a href="http://lem.ch.unito.it/" rel="noreferrer" target="_blank">http://lem.ch.unito.it/</a><br>
<br>
</span></blockquote>
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