From owner-chemistry #at# ccl.net Thu Nov 13 06:36:00 2008
From: "Ramon Crehuet rcsqtc||iiqab.csic.es" <owner-chemistry%server.ccl.net>
To: CCL
Subject: CCL: ORCA and MPI
Message-Id: <-38093-081113063314-30837-YFhVYmupf9miDiQXlN/oKA%server.ccl.net>
X-Original-From: Ramon Crehuet <rcsqtc%%iiqab.csic.es>
Content-Transfer-Encoding: 7bit
Content-Type: text/plain; charset=ISO-8859-1
Date: Thu, 13 Nov 2008 12:32:59 +0100
MIME-Version: 1.0


Sent to CCL by: Ramon Crehuet [rcsqtc^iiqab.csic.es]
Hi again...
I am trying to use Orca in parallel. I have a running version of MPI but
the program dies with:


mpirun: cannot start orca/orca_scf_mpi on n0 (o): No such file or directory

An error has occured in the SCF module
CALLING COMMAND: mpirun -np 4  orca/orca_scf_mpi Fuca-orca-mpi.gbw b
RETURN CODE    : 512
ABORTING THE RUN
ABORTING THE RUN


Probably because orca_scf_mpi is not in the orca directory. It is
located in:
/usuaris/progs/programes/orca_amd64_exe/
This directory is in the path.
Should I rename it? Or how can I indicate to Orca where the MPI
executables are?
Thanks again,
Ramon