[Q-e-developers] Compilation of QE with PGI 15
Filippo Spiga
filippo.spiga at quantum-espresso.org
Thu May 19 15:43:59 CEST 2016
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
>>>>
>>>> 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> 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> 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
>>>>>
>>>>> *****
>>>>> Disclaimer: "Please note this message and any attachments are CONFIDENTIAL and may be privileged or otherwise protected from disclosure. The contents are not to be disclosed to anyone other than the addressee. Unauthorized recipients are requested to preserve this confidentiality and to advise the sender immediately of any error in transmission."
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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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>>
>>
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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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