<div dir="ltr"><div><div><div><div>Hello, <br><br></div>I think any nscf calculation (after a scf to get density) should lead to this. Any call to read_file() so also post processing etc. <br><br></div>We tested:<br>1) ifort (IFORT) 17.0.3 20170404 + Intel(R) MPI Library for Linux* OS, Version 2017 Update 2 Build 20170125<br><br>2) ifort (IFORT) 16.0.0 20150815 + Intel(R) MPI Library for Linux* OS, Version 5.1.1 Build 20150715 (build id: 12269)<br><br>3) ifort (IFORT) 16.0.0 20150815+ mvapich2 v 3.1.4<br><br></div>What work:<br><br></div>1) GCC 4.9.2 + openmpi 1.8.4 <br><div><div> <br></div><div>2) intel 2017 and 2016 + openmpi 2.0.2<br><br></div><div>Best, <br><br></div><div>Samuel<br></div><div><div><br></div></div></div></div><div class="gmail_extra"><br><div class="gmail_quote">On 28 April 2017 at 18:04, Paolo Giannozzi <span dir="ltr"><<a href="mailto:paolo.giannozzi@uniud.it" target="_blank">paolo.giannozzi@uniud.it</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">For any input? on specific inputs only? any compiler/mpi libraries?<br>
some specific combination thereof?<br>
<span class="HOEnZb"><font color="#888888"><br>
Paolo<br>
</font></span><div class="HOEnZb"><div class="h5"><br>
On Fri, Apr 28, 2017 at 6:39 PM, Martin Schlipf<br>
<<a href="mailto:martin.schlipf@gmail.com">martin.schlipf@gmail.com</a>> wrote:<br>
> I tracked the issue and it happens somewhere in the subroutine<br>
> read_file(). The error message that I get is<br>
><br>
> PMPI_Bcast(1635): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0,<br>
> comm=0xc4000001) failed<br>
><br>
> which looks to me like we try to broadcast an array that is not allocated.<br>
><br>
> -Martin<br>
><br>
> On 28/04/17 17:24, Paolo Giannozzi wrote:<br>
>> I haven't noticed any such problem, but I haven't done extensive tests<br>
>> recently. Without more information on what exactly fails how under<br>
>> which circumstances, it is hard to say more<br>
>><br>
>> Paolo<br>
>><br>
>> On Fri, Apr 28, 2017 at 3:57 PM, Samuel Poncé <<a href="mailto:samuel.pon@gmail.com">samuel.pon@gmail.com</a>> wrote:<br>
>>> Dear developers,<br>
>>><br>
>>> Martin and I are currently performing scaling tests with different compilers<br>
>>> and libraries.<br>
>>><br>
>>> We noticed that the current svn trunk work for scf calculation but not when<br>
>>> restart (like nscf calculations) when using intel-MPI (we tested both 2016<br>
>>> and 2017).<br>
>>><br>
>>> The problem seems to also appear with mvapich2.<br>
>>><br>
>>> This seems correlated with the recent introduction of default xml ?<br>
>>><br>
>>> Note that the r13459 and before are fine with all of those.<br>
>>><br>
>>><br>
>>> Best,<br>
>>> Samuel<br>
>>><br>
>>> --<br>
>>><br>
>>> ------------------------------<wbr>------------------------------<wbr>------------------------------<wbr>------<br>
>>> Dr. Samuel Poncé<br>
>>> Department of Materials<br>
>>> University of Oxford<br>
>>> Parks Road<br>
>>> Oxford OX1 3PH, UK<br>
>>><br>
>>> Phone: <a href="tel:%2B44%201865%20612789" value="+441865612789">+44 1865 612789</a><br>
>>> email: <a href="mailto:samuel.ponce@materials.ox.ac.uk">samuel.ponce@materials.ox.ac.<wbr>uk</a><br>
>>> web: <a href="http://giustino.materials.ox.ac.uk/index.php/Site/SamuelPonc%e9" rel="noreferrer" target="_blank">http://giustino.materials.ox.<wbr>ac.uk/index.php/Site/<wbr>SamuelPonc%e9</a><br>
>>> ------------------------------<wbr>------------------------------<wbr>------------------------------<wbr>------<br>
>>><br>
>>><br>
>>> ______________________________<wbr>_________________<br>
>>> Q-e-developers mailing list<br>
>>> <a href="mailto:Q-e-developers@qe-forge.org">Q-e-developers@qe-forge.org</a><br>
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>>><br>
>><br>
>><br>
><br>
> ______________________________<wbr>_________________<br>
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<br>
<br>
<br>
</div></div><span class="im HOEnZb">--<br>
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>
Phone <a href="tel:%2B39-0432-558216" value="+390432558216">+39-0432-558216</a>, fax <a href="tel:%2B39-0432-558222" value="+390432558222">+39-0432-558222</a><br>
<br>
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</div></div></blockquote></div><br><br clear="all"><br>-- <br><div class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><span><font color="#888888"><pre cols="72">------------------------------------------------------------------------------------------------
Dr. Samuel Poncé
Department of Materials
University of Oxford
Parks Road
Oxford OX1 3PH, UK
Phone: +44 1865 612789<br> email: <a href="mailto:samuel.ponce@materials.ox.ac.uk" target="_blank">samuel.ponce@materials.ox.ac.uk</a> <a href="mailto:fabio.caruso@materials.ox.ac.uk" target="_blank"></a>
web: <a href="http://giustino.materials.ox.ac.uk/index.php/Site/SamuelPonc%e9" target="_blank">http://giustino.materials.ox.ac.uk/index.php/Site/SamuelPonc%e9</a>
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