MIN3P-HPC: A High-Performance Unstructured Grid Code for Subsurface Flow and Reactive Transport Simulation

The numerical simulation of flow and reactive transport in porous media with complex domains is nontrivial. This paper presents a method to implement fully unstructured grid capabilities into the well-established software ParMIN3P-THCm, a process-based numerical model designed for the investigation...

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Vydáno v:Mathematical geosciences Ročník 53; číslo 4; s. 517 - 550
Hlavní autoři: Su, Danyang, Mayer, K. Ulrich, MacQuarrie, Kerry T. B.
Médium: Journal Article
Jazyk:angličtina
Vydáno: Berlin/Heidelberg Springer Berlin Heidelberg 01.05.2021
Springer Nature B.V
Témata:
Chemistry and Earth Sciences
Computational fluid dynamics
Computer programs
Computer Science
Distributed memory
Domain decomposition methods
Earth and Environmental Science
Earth Sciences
Exact solutions
Fluid flow
Geotechnical Engineering & Applied Earth Sciences
Hydrogeology
Image reconstruction
Material properties
Mathematical models
Numerical models
Numerical simulations
Parallel processing
Performance enhancement
Permeability
Physics
Porous media
Simulation
Software
Solute transport
Solutes
Statistics for Engineering
Structured grids (mathematics)
Subsurface flow
Supercomputers
Transport
Two dimensional analysis
Unstructured grids (mathematics)
MIN3P-HPC
Parallel computing
Subsurface flow
Reactive transport
Unstructured grid
ISSN:1874-8961, 1874-8953
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Shrnutí:The numerical simulation of flow and reactive transport in porous media with complex domains is nontrivial. This paper presents a method to implement fully unstructured grid capabilities into the well-established software ParMIN3P-THCm, a process-based numerical model designed for the investigation of subsurface fluid flow and multicomponent reactive transport in variably saturated porous media with parallelization capability. The enhanced code, MIN3P-HPC, is modularized to support different cell types, spatial discretization methods and gradient reconstruction methods. MIN3P-HPC uses a vertex-centered control volume method with consideration of both vertex-based and cell-based material properties (e.g., permeability). A flexible parallelization scheme based on domain decomposition and thread acceleration was implemented, which allows the use of OpenMP, MPI and hybrid MPI-OpenMP, making optimized use of computer resources ranging from desktop PCs to distributed memory supercomputers. The code was verified by comparing the results obtained with the unstructured grid version to those produced by the structured grid version. Numerical accuracy was also verified against analytical solutions for 2D and 3D solute transport, and by comparison with third-party software using different cell types. Parallel efficiency of OpenMP, MPI and hybrid MPI-OpenMP versions was examined through a series of solute transport and reactive transport test cases. The results demonstrate the versatility and enhanced performance of MIN3P-HPC for reactive transport simulation.
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ISSN:1874-8961
1874-8953
DOI:10.1007/s11004-020-09898-7