OK. I will try that. Thanks for the suggestion.

Regards,
Mahmood



On Mon, Sep 12, 2016 at 11:35 PM, Dave Love <d.l...@liverpool.ac.uk> wrote:

> Gilles Gouaillardet <gilles.gouaillar...@gmail.com> writes:
>
> > Mahmood,
> >
> > mpi_siesta is a siesta library, not an Open MPI library.
> >
> > fwiw, you might want to try again from scratch with
> > MPI_INTERFACE=libmpi_f90.a
> > DEFS_MPI=-DMPI
> > in your arch.make
> >
> > i do not think libmpi_f90.a is related to an OpenMPI library.
>
> libmpi_f90 is the Fortran 90 library in OMPI 1.6, but presumably you
> want the shared, system version.
>
> > if you need some more support, please refer to the siesta doc and/or ask
> on
> > a siesta mailing list
>
> I used the system MPI (which is OMPI 1.6 for historical reasons) and it
> seems siesta 4.0 just built on RHEL6 with the rpm spec fragment below,
> but I'm sure it would also work with 1.8.  (However, it needs cleaning
> up significantly for the intended Fedora packaging.)
>
>   %global _configure ../Src/configure
>   cd Obj
>   ../Src/obj_setup.sh
>   %_openmpi_load
>   %configure --enable-mpi
>   make # not smp-safe
>
> (%_openmpi_load just does "module load openmpi_x86_64" in this case.)
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