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

Martin Schlipf martin.schlipf at gmail.com
Wed May 18 15:18:54 CEST 2016


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 
> <mailto: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
>     <mailto: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 <mailto: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 <tel:%2B44%201865%20612789>
>          email:samuel.ponce at materials.ox.ac.uk
>     <mailto: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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