[Wien] Compilation: how to specify a path to mpif.h?

[Laurence Marks]

Normally one uses mpif77 as the compiler, which "should" be setup
correctly for your pgf compiler with all the various paths of
libraries and include files. Look in (probably)
/opt/mpich/pgi64/ch_p4/bin . You may need to include this in your
search path, and you should check that you have done the parallel part
of siteconfig (which sets MPF for you).

On Wed, Oct 8, 2008 at 10:04 AM, Yurko Natanzon
<yurko.natanzon at gmail.com> wrote:
> Dear wien2k users,
> I've successfully compiled Wien2k and now want to recompile it for
> parallel execution. I have everything required for this (mpich,
> scalapack). It seems, only lapw0, lapw1 and lapw2 should be
> recompiled, yes? So, I get the errors like this:
>
> PGF90-S-0017-Unable to open include file: mpif.h (rean0.F: 23)
>
> I know where mpif.h is located but how to specify a path? I've tried
> it in a different ways, but with no success. So i ended up in
> modifying .f files by hand replacing the code:
> #ifdef Parallel
>  include 'mpif.h'
> #endif
> by the following:
> #ifdef Parallel
>  include '/opt/mpich/pgi64/ch_p4/include/mpif.h'
> #endif
>
> It seems to work, but this is not convenient, especially if i want to
> install updates. So, could you propose me how to do it in siteconfig?
> My siteconfig settings for parralel execution are shown below:
>
> shared memory: yes
> compiler:  /opt/pgi/linux86-64/7.0/bin/pgf95
>  RP  RP_LIB(SCALAPACK+PBLAS):
> -L/home/users/natanzon/dvd/siesta/lib-pgf -L/opt/mpich/pgi64/ch_p4/lib
> -lblacs -lblacsF77init -lblacsCinit -lblacsF77init -lblacs -lscalapack
> -lmpich
>  FP  FPOPT(par.comp.options): -Mfreeform -fast -Kieee -Wl,
> -R/opt/mpich/pgi64/ch_p4/include
>
> I have a Linux cluster with AMD Opterons, pgf compiler, mpich and ACML
> libraries installed.
>
> regards,
> Yurko
>
> --
> Yurko (aka Yuriy, Iurii, Jurij etc) Natanzon
> PhD Student
> Henryk Niewodniczan`ski Institute of Nuclear Physics
> Polish Academy of Sciences
> ul. Radzikowskiego 152,
> 31-342 Krako`w, Poland
> Email: Yurii.Natanzon at ifj.edu.pl, yurko.natanzon at gmail.com
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>



-- 
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
Web: www.numis.northwestern.edu
Chair, Commission on Electron Crystallography of IUCR
www.numis.northwestern.edu/IUCR_CED