Details zur Publikation
Kategorie Textpublikation
Referenztyp Zeitschriften
DOI 10.5194/gmd-8-3333-2015
Titel (primär) A parallelization scheme to simulate reactive transport in the subsurface environment with OGS#IPhreeqc 5.5.7-3.1.2
Autor He, W.; Beyer, C.; Fleckenstein, J.H.; Jang, E.; Kolditz, O. ORCID logo ; Naumov, D.; Kalbacher, T.
Quelle Geoscientific Model Development
Erscheinungsjahr 2015
Department ENVINF; HDG
Band/Volume 8
Heft 10
Seite von 3333
Seite bis 3348
Sprache englisch
Supplements https://www.geosci-model-dev.net/8/3333/2015/gmd-8-3333-2015-supplement.pdf
UFZ Querschnittsthemen RU2
Abstract 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.
dauerhafte UFZ-Verlinkung https://www.ufz.de/index.php?en=20939&ufzPublicationIdentifier=16061
He, W., Beyer, C., Fleckenstein, J.H., Jang, E., Kolditz, O., Naumov, D., Kalbacher, T. (2015):
A parallelization scheme to simulate reactive transport in the subsurface environment with OGS#IPhreeqc 5.5.7-3.1.2
Geosci. Model Dev. 8 (10), 3333 - 3348 10.5194/gmd-8-3333-2015