A parallelization scheme to simulate reactive transport in the subsurface environment with OGS#IPhreeqc 5.5.7-3.1.2
The open-source scientific software packages OpenGeoSys and IPhreeqc have been coupled to set up and simulate thermo-hydro-mechanical-chemical coupled processes with simultaneous consideration of aqueous geochemical reactions faster and easier on high-performance computers. In combination with the e...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Copernicus Publications
2015-10-01
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| Series: | Geoscientific Model Development |
| Online Access: | http://www.geosci-model-dev.net/8/3333/2015/gmd-8-3333-2015.pdf |
| Summary: | The open-source scientific software packages OpenGeoSys and IPhreeqc have
been coupled to set up and simulate thermo-hydro-mechanical-chemical coupled
processes with simultaneous consideration of aqueous geochemical reactions
faster and easier on high-performance computers. In combination with the
elaborated and extendable chemical database of IPhreeqc, it will be possible
to set up a wide range of multiphysics problems with numerous chemical
reactions that are known to influence water quality in porous and fractured
media. A flexible parallelization scheme using MPI (Message Passing
Interface) grouping techniques has been implemented, which allows an
optimized allocation of computer resources for the node-wise calculation of
chemical reactions on the one hand and the underlying processes such as for
groundwater flow or solute transport on the other. This technical paper
presents the implementation, verification, and parallelization scheme of the
coupling interface, and discusses its performance and precision. |
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| ISSN: | 1991-959X 1991-9603 |