[Q-e-developers] Compilation of QE with PGI 15
Samuel Poncé
samuel.pon at gmail.com
Tue May 24 17:39:26 CEST 2016
Dear Filippo,
Can I run the script ./refresh-configure.sh and commit to the trunk?
Best,
Samuel
On 19 May 2016 at 14:43, Filippo Spiga <filippo.spiga at quantum-espresso.org>
wrote:
> Paolo already committed some changes related to this (the configure has to
> be regenerated, autoconf v2.69 is a minimum required then it is just a
> matter of run the script "refresh-confogure.sh" in "install/").
>
> Let see how it goes
>
> --
> Filippo SPIGA
> * Sent from my iPhone, sorry for typos *
>
> On 19 May 2016, at 20:01, Samuel Poncé <samuel.pon at gmail.com> wrote:
>
> 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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>> Q-e-developers mailing listQ-e-developers at qe-forge.orghttp://qe-forge.org/mailman/listinfo/q-e-developers
>>
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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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--
------------------------------------------------------------------------------------------------
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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