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GeoDict User Guide 2025

Parallel Computing and MPI for Linux

GeoDict uses the MPI message passing interface protocol to run parallel computations. The MPI interface and the required mpiexec executable can be provided through different packages from different vendors. Unfortunately, these packages are not compatible with each other.

The installation package of GeoDict 2026 contains solver executables that can either use Mpich 3 or OpenMPI 1.10.7. This means that one of these two libraries must be installed.

To allow for an easy installation, the packages

  • mpich-3.2.1.tar.gz
  • openmpi-1.10.7.tar.gz

and a shell script can be found in the GeoDict installation folder:

  • setupMPI.sh

To install the MPI libraries, simply run the setupMPI.sh script. The script will unpack, configure, make, and install the libraries. If the script is called without any command line argument, the libraries are installed locally in the GeoDict installation folder. If the script is called with the command line argument ‘root’

sudo ./setupMPI.sh root

the libraries are installed in /usr/local. For this, root privileges are required.  

The compilation and installation of MPI will take approximately 15 to 30 minutes. After the installation, check if the OpenMPI and Mpich3.2 executables have been created, as the script will not return an error message if one of the installations fails.

More details on using and configuring MPI can be found in the High-Performance Computing User Guide.

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