[Q-e-developers] 'mpif.h' vs. 'include mpi' and regression tests

[Paolo Giannozzi]

Maybe we should revert to the good habit of confining MPI definitions to a
very small number of files. Once upon a time there was just one in
"parallel_include.f90", maybe a couple more here and there. Now:
$ grep mpif.h espresso/*/*.f90 espresso/*/*/*f90 | wc -l
62

The executables in "test-suite" should write to $ESPRESSO_TMPDIR, which is
defined in test-suite/ENVIRONMENT:
   export ESPRESSO_TMPDIR=/tmp/save/
If more instances of test-suite are run by the same user, a mess will
result, for sure. Not sure how to set $ESPRESSO_TMPDIR to a unique value in
a simple way.

Paolo

On Tue, Nov 22, 2016 at 2:29 PM, Davide Ceresoli <davide.ceresoli at cnr.it>
wrote:

> On 11/22/2016 02:10 PM, Paul Kapinos wrote:
> > Dear Quantum Espresso developer,
> > We (try to) install QE on our computers in a great variety of version
> (Intel MPI
> > and Open MPI; Intel, GCC (and PGI and Oracle Studio) compilers; different
> > versions of) Doing this we see at least two issues we do let you know
> about:
> >
> > I. we cannot compile using Intel compiler version 17 and appropriate
> Open MPI
> > version. (older versions can compile but raise warnings; using Intel MPI
> neiter
> > error nor warnings are raised - likely due to very different 'mpi.h'
> file).
> >
> > Affected file:
> > qe-6.0/FFTXlib/stick_base.f90
> Dear all,
>      I also ran into this problem yesterday. What was a 'warning' in
> Intel 2015 and 2016, has become an 'error' in Intel 2017. I've tried
> to turn off this specific error on the command line, but it didn't
> work. Switching include 'mpif.h' to use mpi solves the problem.
>
> > It turned out that this is likely a header clash due to multiple
> include's, cf.
> > https://www.mail-archive.com/devel@lists.open-mpi.org//msg19768.html
> >
> > The recommendation of  Gilles Gouaillardet is to go to 'use mpi' syntax,
> cf.
> > https://www.mail-archive.com/devel@lists.open-mpi.org//msg19776.html
> > http://mpi-forum.org/docs/mpi-3.1/mpi31-report/node411.htm
> >
>
> Best,
>      Davide
>
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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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