Abstract

Solute transport modeling resolves advection, dispersion, and chemical reactions in groundwater systems with its accuracy depending on the resolution of domain at all scales, thus the computational efficiency of a simulator becomes a bottleneck for the wide application of numerical simulations. However, the traditional serial numerical simulators have reached their limits for the prohibitive computational time and memory requirement in solving large-scale problems. These limitations have greatly hindered the wide application of groundwater solute transport modeling. Thus, the development of an efficient method for handling large-scale groundwater solute transport simulation is urgently required. In this study, we developed and assessed a parallelized MT3DMS (Modular Three-Dimensional Multispecies Transport Model) by using OpenMP (Open specifications for Multi-Processing) to accelerate the solute transport simulation process. The parallelization was achieved by adding OpenMP compile directives (i.e., defining various types of parallel regions) into the most time-consuming packages, including the Advection package (ADV), Dispersion package (DSP), and Generalized Conjugate Gradient Solver package (GCG). This allows parallel processing on shared-memory multiprocessors, i.e., both the memory requirement and computing efforts are automatically distributed among all processors. Moreover, we discussed two different parallelization strategies for handling numerical models with either many layers or few layers. The performance of parallelized MT3DMS was assessed by two benchmark numerical models with different model domain sizes via a workstation with two quad-core processors. Results showed that the running time of parallelized MT3DMS can be 4.15 times faster than that using sequential MT3DMS. The effects of using different preconditioners (procedures that transform a given problem into a form that is more suitable for numerical solving methods) in the GCG package were additionally evaluated. The modified strategy for handling numerical models with few layers also achieved satisfactory results with running time two times faster than that via sequential simulation. Thus, the proposed parallelization allows high-resolution groundwater transport simulation with higher efficiency for large-scale or multimillion-cell simulation problems.

Highlights

  • Groundwater solute transport modeling is crucial to further our understanding of the transport and fate of pollutants [1,2,3,4,5]

  • By analyzing the governing equation and the program structure of MT3DMS, we find that the most time-consuming code regions are located at Advection package (ADV), Dispersion package (DSP), and Generalized Conjugate Gradient Solver package (GCG)

  • The performance and robustness of the parallelized version of MT3DMS was assessed by two benchmark numerical models as discussed below

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Summary

Introduction

Groundwater solute transport modeling is crucial to further our understanding of the transport and fate of pollutants [1,2,3,4,5]. The limitations and challenges of using single-CPU models are due to huge computational ability requirement, large memory capacity requirement, and the restriction on the data channel bandwidth [12,13]. These limitations have greatly hindered the wide application of groundwater solute transport modeling. The development of an efficient method for handling large-scale solute transport simulation is urgently required [14] The solutions to this problem can be roughly classified into two kinds [15]: (1) designing and applying more effective computational technologies, such as new solver (e.g., Algebraic Multigrid Method (AMG), ORTHOMIN, Biconjugate Gradient Stabilized

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