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

[Samuel Poncé]

As Martin mentioned, this problem is only when the compiler does not come
with preprocessing 'integrated'.

If Filippo agrees, I would suggest to put

CPPFLAGS       = -P -traditional $(DFLAGS) $(IFLAGS) $(MANUAL_DFLAGS)

only in the case of pgi.

Best,

Samuel.


On 18 May 2016 at 14:18, Martin Schlipf <martin.schlipf at gmail.com> wrote:

> To my understanding, the gcc C preprocessor (v4.8.5) does not work with
> the option -C, because it adds an unwanted C style comment that the fortran
> compiler cannot process. Furthermore, the option -C has not the intended
> effect (to keep the comments) on fortran files, because it is not
> implemented. From the documentation
> https://gcc.gnu.org/onlinedocs/gfortran/Preprocessing-Options.html
>
> Warning: this currently handles C-Style comments only. The preprocessor
> does not yet recognize Fortran-style comments.
>
> The comments are always kept, even if -C is not set. So I would suggest to
> remove the flag.
>
> The only disadvantage of removing the -C flag is when the project contains
> both C and fortran files, where the -C option might be wanted for the C
> files. In this case, one could replace cpp with gcc -cpp -E, which also
> doesn't add the C-style comment for some reason.
>
> Note, that this only affects the specific case, where we need to do the
> preprocessing separately from the compilation, i.e., when the compiler does
> not come with an option to do preprocessing + compilation in a single step,
> and only if the gcc C preprocessor is used.
>
> Martin
>
>
> On 18/05/16 13:34, Paolo Giannozzi wrote:
>
> So what is the final agreement? is it a problem of a specific version of
> PGI, or a general problem affecting other compilers as well? Axel says that
> cpp -P -C has been used since years to preprocess fortran files
>
> Paolo
>
> On Wed, May 18, 2016 at 11:45 AM, Samuel Poncé <samuel.pon at gmail.com>
> wrote:
>
>> Hello Filippo,
>>
>> Just to finish. The version of pgi is
>> pgfortran --version
>>
>> pgfortran 15.7-0 64-bit target on x86-64 Linux -tp core2
>> The Portland Group - PGI Compilers and Tools
>> Copyright (c) 2015, NVIDIA CORPORATION.  All rights reserved
>>
>> with gcc (GCC) 4.8.5 for the CPP.
>>
>> The bot that does that test can be found at
>> <http://129.67.86.21:8010/builders/EPW-farm2_pgi15/builds/38/steps/make_pw/logs/stdio>
>> http://129.67.86.21:8010/builders/EPW-farm2_pgi15/builds/38/steps/make_pw/logs/stdio
>>
>> As a side note, I was never able to compile QE with pgi 12.10.
>> Since its an old version, I gave up testing it.
>>
>> Best,
>> Sam
>>
>>
>>
>> On 17 May 2016 at 10:17, Filippo SPIGA <
>> <filippo.spiga at quantum-espresso.org>filippo.spiga at quantum-espresso.org>
>> wrote:
>>
>>> Interesting Martin, thanks for let us know. I have several builds of GCC
>>> on the cluster, let me play a bit swapping them !
>>>
>>> On May 17, 2016, at 5:15 PM, Martin Schlipf < <martin.schlipf at gmail.com>
>>> martin.schlipf at gmail.com> wrote:
>>> > Hello Filippo,
>>> >
>>> > the builder that compiles with PGI uses gcc 4.8.5 for the
>>> preprocessing.
>>> > I tested an older version 4.4.7, which does not add the additional
>>> > C-style comment.
>>>
>>> --
>>> Mr. Filippo SPIGA, M.Sc.
>>> Quantum ESPRESSO Foundation
>>> http://www.quantum-espresso.org ~ skype: filippo.spiga
>>>
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>>
>>
>>
>> --
>>
>> ------------------------------------------------------------------------------------------------
>>     Dr. Samuel Poncé
>>     Department of Materials
>>     University of Oxford
>>     Parks Road
>>     Oxford OX1 3PH, UK
>>
>>     Phone: +44 1865 612789
>>     email: samuel.ponce at materials.ox.ac.uk
>>     web: http://giustino.materials.ox.ac.uk/index.php/Site/SamuelPonc%e9
>> ------------------------------------------------------------------------------------------------
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>
>
> --
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
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-- 

------------------------------------------------------------------------------------------------
    Dr. Samuel Poncé
    Department of Materials
    University of Oxford
    Parks Road
    Oxford OX1 3PH, UK

    Phone: +44 1865 612789
    email: samuel.ponce at materials.ox.ac.uk  <fabio.caruso at materials.ox.ac.uk>
    web: http://giustino.materials.ox.ac.uk/index.php/Site/SamuelPonc%e9
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