[Octopus-users] Problem with parallelization in pre-compiled package
xavier at tddft.org
Mon Sep 29 13:50:09 WEST 2008
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
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