A parallelization scheme to simulate reactive transport in the subsurface environment with OGS#IPhreeqc 5.5.7-3.1.2

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...

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Main Authors: W. He, C. Beyer, J. H. Fleckenstein, E. Jang, O. Kolditz, D. Naumov, T. Kalbacher
Format: Article
Language:English
Published: Copernicus Publications 2015-10-01
Series:Geoscientific Model Development
Online Access:http://www.geosci-model-dev.net/8/3333/2015/gmd-8-3333-2015.pdf
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spelling doaj-96275452a0f44e8fb727f555255648442020-11-24T22:43:11ZengCopernicus PublicationsGeoscientific Model Development1991-959X1991-96032015-10-018103333334810.5194/gmd-8-3333-2015A parallelization scheme to simulate reactive transport in the subsurface environment with OGS#IPhreeqc 5.5.7-3.1.2W. He0C. Beyer1J. H. Fleckenstein2E. Jang3O. Kolditz4D. Naumov5T. Kalbacher6Department of Environmental Informatics, Helmholtz Centre for Environmental Research – UFZ, Leipzig, GermanyInstitute of Geosciences, Geohydromodeling, Christian-Albrechts-Universität zu Kiel, Kiel, GermanyDepartment of Hydrogeology, Helmholtz Centre for Environmental Research – UFZ, Leipzig, GermanyDepartment of Environmental Informatics, Helmholtz Centre for Environmental Research – UFZ, Leipzig, GermanyDepartment of Environmental Informatics, Helmholtz Centre for Environmental Research – UFZ, Leipzig, GermanyFaculty of Mechanical and Energy Engineering, Leipzig University of Applied Science, Leipzig, GermanyDepartment of Environmental Informatics, Helmholtz Centre for Environmental Research – UFZ, Leipzig, GermanyThe 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.http://www.geosci-model-dev.net/8/3333/2015/gmd-8-3333-2015.pdf
collection DOAJ
language English
format Article
sources DOAJ
author W. He
C. Beyer
J. H. Fleckenstein
E. Jang
O. Kolditz
D. Naumov
T. Kalbacher
spellingShingle W. He
C. Beyer
J. H. Fleckenstein
E. Jang
O. Kolditz
D. Naumov
T. Kalbacher
A parallelization scheme to simulate reactive transport in the subsurface environment with OGS#IPhreeqc 5.5.7-3.1.2
Geoscientific Model Development
author_facet W. He
C. Beyer
J. H. Fleckenstein
E. Jang
O. Kolditz
D. Naumov
T. Kalbacher
author_sort W. He
title A parallelization scheme to simulate reactive transport in the subsurface environment with OGS#IPhreeqc 5.5.7-3.1.2
title_short A parallelization scheme to simulate reactive transport in the subsurface environment with OGS#IPhreeqc 5.5.7-3.1.2
title_full A parallelization scheme to simulate reactive transport in the subsurface environment with OGS#IPhreeqc 5.5.7-3.1.2
title_fullStr A parallelization scheme to simulate reactive transport in the subsurface environment with OGS#IPhreeqc 5.5.7-3.1.2
title_full_unstemmed A parallelization scheme to simulate reactive transport in the subsurface environment with OGS#IPhreeqc 5.5.7-3.1.2
title_sort parallelization scheme to simulate reactive transport in the subsurface environment with ogs#iphreeqc 5.5.7-3.1.2
publisher Copernicus Publications
series Geoscientific Model Development
issn 1991-959X
1991-9603
publishDate 2015-10-01
description 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.
url http://www.geosci-model-dev.net/8/3333/2015/gmd-8-3333-2015.pdf
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