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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