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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Published in:	Mathematical geosciences Vol. 53; no. 4; pp. 517 - 550
Main Authors:	Su, Danyang, Mayer, K. Ulrich, MacQuarrie, Kerry T. B.
Format:	Journal Article
Language:	English
Published:	Berlin/Heidelberg Springer Berlin Heidelberg 01.05.2021 Springer Nature B.V
Subjects:	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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Abstract	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.
AbstractList	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.
Author	Mayer, K. Ulrich MacQuarrie, Kerry T. B. Su, Danyang
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Snippet	The numerical simulation of flow and reactive transport in porous media with complex domains is nontrivial. This paper presents a method to implement fully...
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SubjectTerms	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)
Title	MIN3P-HPC: A High-Performance Unstructured Grid Code for Subsurface Flow and Reactive Transport Simulation
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