[Octopus-users] Problem with parallelization in pre-compiled package

[Xavier Andrade]

On Sun, 28 Sep 2008, Pavel Redkin wrote:

> Dear octopus users! I have tried to use pre-compiled version of octopus 
> (octopus_3.0.1-2_i386.deb) in parallel on a Xeon 3.0 GHZ (SMP) under 
> 32-bit Debian Linux. Surprisingly it always run in serial in spite of 
> any ParallelizationStrategy (incorrect as well) keywords for all 
> calculation modes. Is this binary complied for serial use only or some 
> additional packages are needed?
>

This packages only include the serial version. For the parallel version 
you have to run the octopus_mpi binary.

> Alternatively, can someone give me sample correct flags for use with 
> MPICH or OpenMPI to compile Octopus for parallel use? I could not 
> compile it correctly without any flags.
>

You have to pass the --enable-mpi flag to the configure and specify 
the mpif90 wrapper as the fortran compiler (FC variable). As always you 
need to compile openmpi/mpich with the same compiler you use to compile 
octopus.

Cheers,

Xavier