[Q-e-developers] Compilation of QE with PGI 15

[Martin Schlipf]

Investigating a bit more, I think the issue is related to autoconf. 
Since version 2.64, autoconf expands commands before the file that 
requires them
http://www.gnu.org/software/autoconf/manual/autoconf.html#Expanded-Before-Required

In this particular case, AC_PROG_FC is expanded before the rest of 
X_AC_QE_MPIF90. As a consequence there is a large additional part in the 
code directly after
# Checking MPIF90...
but before the search for the compilers with try_f90.

The problem is that the additional parts include a different search for 
a compiler with a different order. Instead of ifort, pgf90, nagfor, ..., 
gfortran, it checks for gfortran first. Hence, it doesn't come to the 
point where it would check for pgf90.

I don't know how to fix the issue in autoconf, but one can delete the 
additional lines in the resulting configure file and then the PGI 
compiler works.

-Martin

On 06/06/16 13:43, Paolo Giannozzi wrote:
> The configure file currently on svn was updated in rev.12409. The only
> changes to configure since rev.12409 are
>    rev. 12416: removal of "-C" from cppflags (required by PGI compiler)
>    rev. 12419: proposed by David Strubbe: see
> https://www.mail-archive.com/pw_forum%40pwscf.org/msg28594.html
> I don't know if the latter is responsible for the change of behavior
> you observe. Please try "svn update -r 12416 configure.ac
> m4/x_ac_qe_f90.m4   m4/x_ac_qe_mpif90", refresh configure, report.
> What is "configure.new" good for, by the way?
>
> Paolo
>
> On Mon, Jun 6, 2016 at 12:29 PM, Martin Schlipf
> <martin.schlipf at gmail.com> wrote:
>> Dear Filippo,
>>
>> we thought for some time that it was working with the added
>> refresh-configure step. But now we realized that the refresh-configure step
>> leads to gfortran being used instead of the PGI compiler. We also found out
>> that the reason the NAG compiler doesn't work is the same as for the PGI
>> compiler, i.e., the cpp -P -C choice in the make.sys file.
>>
>> We don't understand why the PGI compiler is not chosen after
>> refresh-configure, so we provide the changed configure and the reference
>> configure file so that you may have a look.
>>
>> Best regards
>> Martin & Samuel
>>
>>
>> On 24/05/16 17:35, Filippo SPIGA wrote:
>>> On May 24, 2016, at 4:39 PM, Samuel Poncé <samuel.pon at gmail.com> wrote:
>>>> Can I run the script ./refresh-configure.sh and commit to the trunk?
>>> Yeah, it is not a problem.
>>>
>>> My personal suggestion is that if you need a refresh configure for your
>>> BuildBot then it is more flexible for you to add an additional step in the
>>> BuildBot itself. Very trivial thing to do, I did it to generate snapshots:
>>> http://qe-forge.org:8010/builders/QE-FORGE%20%28PACKAGING%29/builds/6
>>>
>>> --
>>> Mr. Filippo SPIGA, M.Sc.
>>> Quantum ESPRESSO Foundation
>>> http://www.quantum-espresso.org ~ skype: filippo.spiga
>>>
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