<div dir="ltr"><div><div><div>Hi Paolo,<br><br>We did not manage to fix the generation of the configure file using the autotools.<br><br>In the meantime, we manually fixed our testfarm by not performing ./install/refresh-configure.sh and just remove the -C in the CPP line using awk.<br><br>There is another issue with the configure.<br><br>The configure script fails to correctly set the include path for the external fft libraries automatically.<br><br>We therefore had to add another step in the testfarm that manually set in the make.sys:<br><br>MANUAL_DFLAGS = -I/home/farm2/local/fftw3_pgi1507/include<br><br></div>This issue appears regardless of the compiler. <br><br></div>Best, <br><br></div>Samuel and Martin.<br><br><br><div><div><div><br><br><div><div><br><div><br></div></div></div></div></div></div></div><div class="gmail_extra"><br><div class="gmail_quote">On 6 June 2016 at 21:03, Paolo Giannozzi <span dir="ltr"><<a href="mailto:p.giannozzi@gmail.com" target="_blank">p.giannozzi@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Maybe this (from install/m4/x_ac_qe_mpif90.m4) is no longer true?<br>
<br>
# check serial Fortran 90 compiler. This must be done before performing<br>
# the check for the parallel compiler (section below) because option<br>
# --disable-parallel will do very strange things otherwise. The reason<br>
# seems to be that autoconf does not repeat all tests for the second<br>
# occurrence of AC_PROG_FC. So the first occurrence is the one that<br>
# must always be performed, the second is optional. PG & CC sep.2006<br>
<br>
# use F90 if set<br>
if test "$f90" = "" ; then f90="$try_f90" ; fi<br>
AC_PROG_FC($f90)<br>
f90=$FC<br>
AC_FC_SRCEXT(f90)<br>
<br>
There is a lot of obsolete stuff in configure that should be removed.<br>
<span class="HOEnZb"><font color="#888888"><br>
Paolo<br>
</font></span><div class="HOEnZb"><div class="h5"><br>
On Mon, Jun 6, 2016 at 7:05 PM, Martin Schlipf <<a href="mailto:martin.schlipf@gmail.com">martin.schlipf@gmail.com</a>> wrote:<br>
> Investigating a bit more, I think the issue is related to autoconf.<br>
> Since version 2.64, autoconf expands commands before the file that<br>
> requires them<br>
> <a href="http://www.gnu.org/software/autoconf/manual/autoconf.html#Expanded-Before-Required" rel="noreferrer" target="_blank">http://www.gnu.org/software/autoconf/manual/autoconf.html#Expanded-Before-Required</a><br>
><br>
> In this particular case, AC_PROG_FC is expanded before the rest of<br>
> X_AC_QE_MPIF90. As a consequence there is a large additional part in the<br>
> code directly after<br>
> # Checking MPIF90...<br>
> but before the search for the compilers with try_f90.<br>
><br>
> The problem is that the additional parts include a different search for<br>
> a compiler with a different order. Instead of ifort, pgf90, nagfor, ...,<br>
> gfortran, it checks for gfortran first. Hence, it doesn't come to the<br>
> point where it would check for pgf90.<br>
><br>
> I don't know how to fix the issue in autoconf, but one can delete the<br>
> additional lines in the resulting configure file and then the PGI<br>
> compiler works.<br>
><br>
> -Martin<br>
><br>
> On 06/06/16 13:43, Paolo Giannozzi wrote:<br>
>> The configure file currently on svn was updated in rev.12409. The only<br>
>> changes to configure since rev.12409 are<br>
>> rev. 12416: removal of "-C" from cppflags (required by PGI compiler)<br>
>> rev. 12419: proposed by David Strubbe: see<br>
>> <a href="https://www.mail-archive.com/pw_forum%40pwscf.org/msg28594.html" rel="noreferrer" target="_blank">https://www.mail-archive.com/pw_forum%40pwscf.org/msg28594.html</a><br>
>> I don't know if the latter is responsible for the change of behavior<br>
>> you observe. Please try "svn update -r 12416 <a href="http://configure.ac" rel="noreferrer" target="_blank">configure.ac</a><br>
>> m4/x_ac_qe_f90.m4 m4/x_ac_qe_mpif90", refresh configure, report.<br>
>> What is "configure.new" good for, by the way?<br>
>><br>
>> Paolo<br>
>><br>
>> On Mon, Jun 6, 2016 at 12:29 PM, Martin Schlipf<br>
>> <<a href="mailto:martin.schlipf@gmail.com">martin.schlipf@gmail.com</a>> wrote:<br>
>>> Dear Filippo,<br>
>>><br>
>>> we thought for some time that it was working with the added<br>
>>> refresh-configure step. But now we realized that the refresh-configure step<br>
>>> leads to gfortran being used instead of the PGI compiler. We also found out<br>
>>> that the reason the NAG compiler doesn't work is the same as for the PGI<br>
>>> compiler, i.e., the cpp -P -C choice in the make.sys file.<br>
>>><br>
>>> We don't understand why the PGI compiler is not chosen after<br>
>>> refresh-configure, so we provide the changed configure and the reference<br>
>>> configure file so that you may have a look.<br>
>>><br>
>>> Best regards<br>
>>> Martin & Samuel<br>
>>><br>
>>><br>
>>> On 24/05/16 17:35, Filippo SPIGA wrote:<br>
>>>> On May 24, 2016, at 4:39 PM, Samuel Poncé <<a href="mailto:samuel.pon@gmail.com">samuel.pon@gmail.com</a>> wrote:<br>
>>>>> Can I run the script ./refresh-configure.sh and commit to the trunk?<br>
>>>> Yeah, it is not a problem.<br>
>>>><br>
>>>> My personal suggestion is that if you need a refresh configure for your<br>
>>>> BuildBot then it is more flexible for you to add an additional step in the<br>
>>>> BuildBot itself. Very trivial thing to do, I did it to generate snapshots:<br>
>>>> <a href="http://qe-forge.org:8010/builders/QE-FORGE%20%28PACKAGING%29/builds/6" rel="noreferrer" target="_blank">http://qe-forge.org:8010/builders/QE-FORGE%20%28PACKAGING%29/builds/6</a><br>
>>>><br>
>>>> --<br>
>>>> Mr. Filippo SPIGA, M.Sc.<br>
>>>> Quantum ESPRESSO Foundation<br>
>>>> <a href="http://www.quantum-espresso.org" rel="noreferrer" target="_blank">http://www.quantum-espresso.org</a> ~ skype: filippo.spiga<br>
>>>><br>
>>>> *****<br>
>>>> Disclaimer: "Please note this message and any attachments are CONFIDENTIAL<br>
>>>> and may be privileged or otherwise protected from disclosure. The contents<br>
>>>> are not to be disclosed to anyone other than the addressee. Unauthorized<br>
>>>> recipients are requested to preserve this confidentiality and to advise the<br>
>>>> sender immediately of any error in transmission."<br>
>>>><br>
>>>><br>
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>>><br>
>>><br>
>>> _______________________________________________<br>
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>>><br>
>><br>
>><br>
><br>
> _______________________________________________<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>
</span><div class="HOEnZb"><div class="h5">_______________________________________________<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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