Large-scale optimization-based non-negative computational framework for diffusion equations: parallel implementation and performance studies

DOI10.1007/S10915-016-0250-5zbMATH Open1359.65250arXiv1506.08435OpenAlexW3098961063MaRDI QIDQ514455FDOQ514455

Authors: Yong-Cai Geng, Sumit K. Garg 

Publication date: 2 March 2017

Published in: Journal of Scientific Computing (Search for Journal in Brave)

Abstract: It is well-known that the standard Galerkin formulation, which is often the formulation of choice under the finite element method for solving self-adjoint diffusion equations, does not meet maximum principles and the non-negative constraint for anisotropic diffusion equations. Recently, optimization-based methodologies that satisfy maximum principles and the non-negative constraint for steady-state and transient diffusion-type equations have been proposed. To date, these methodologies have been tested only on small-scale academic problems. The purpose of this paper is to systematically study the performance of the non-negative methodology in the context of high performance computing (HPC). PETSc and TAO libraries are, respectively, used for the parallel environment and optimization solvers. For large-scale problems, it is important for computational scientists to understand the computational performance of current algorithms available in these scientific libraries. The numerical experiments are conducted on the state-of-the-art HPC systems, and a single-core performance model is used to better characterize the efficiency of the solvers. Our studies indicate that the proposed non-negative computational framework for diffusion-type equations exhibits excellent strong scaling for real-world large-scale problems.

Full work available at URL: https://arxiv.org/abs/1506.08435

Recommendations

• Variational inequality approach to enforcing the non-negative constraint for advection-diffusion equations
• On the performance of high‐order finite elements with respect to maximum principles and the nonnegative constraint for diffusion‐type equations
• Nonlinear multigrid based on local spectral coarsening for heterogeneous diffusion problems
• Large-scale parallel topology optimization using a dual-primal substructuring solver
• On enforcing maximum principles and achieving element-wise species balance for advection-diffusion-reaction equations under the finite element method

zbMATH Keywords

algorithmnumerical experimentsfinite element methodmaximum principlesanisotropic diffusionhigh performance computinglarge-scale optimizationnon-negative constraintGalerkin formulation

Mathematics Subject Classification ID

Parallel numerical computation (65Y05) Complexity and performance of numerical algorithms (65Y20) Maximum principles in context of PDEs (35B50) Boundary value problems for second-order elliptic equations (35J25) Finite element, Rayleigh-Ritz and Galerkin methods for boundary value problems involving PDEs (65N30)

Cites Work

• Automated solution of differential equations by the finite element method. The FEniCS book
• Title not available (Why is that?)
• A Fast and High Quality Multilevel Scheme for Partitioning Irregular Graphs
• Title not available (Why is that?)
• Title not available (Why is that?)
• An Introduction to Variational Inequalities and Their Applications
• Finite-Dimensional Variational Inequalities and Complementarity Problems
• Title not available (Why is that?)
• Maximum principle and uniform convergence for the finite element method
• Title not available (Why is that?)
• Enforcing the non-negativity constraint and maximum principles for diffusion with decay on general computational grids
• Title not available (Why is that?)
• A numerical framework for diffusion-controlled bimolecular-reactive systems to enforce maximum principles and the non-negative constraint
• On the performance of high‐order finite elements with respect to maximum principles and the nonnegative constraint for diffusion‐type equations
• A numerical methodology for enforcing maximum principles and the non-negative constraint for transient diffusion equations
• Non-negative mixed finite element formulations for a tensorial diffusion equation
• On enforcing maximum principles and achieving element-wise species balance for advection-diffusion-reaction equations under the finite element method
• Flexible complementarity solvers for large-scale applications

Cited In (10)

• A deep learning modeling framework to capture mixing patterns in reactive-transport systems
• A segregated approach for modeling the electrochemistry in the 3-D microstructure of li-ion batteries and its acceleration using block preconditioners
• Composable block solvers for the four-field double porosity/permeability model
• Physics-informed machine learning models for predicting the progress of reactive-mixing
• Unsupervised machine learning based on non-negative tensor factorization for analyzing reactive-mixing
• Comparative Study of Finite Element Methods Using the Time-Accuracy-Size(TAS) Spectrum Analysis
• Variational inequality approach to enforcing the non-negative constraint for advection-diffusion equations
• A numerical framework for diffusion-controlled bimolecular-reactive systems to enforce maximum principles and the non-negative constraint
• Model reduction for fractured porous media: a machine learning approach for identifying main flow pathways
• A scalable variational inequality approach for flow through porous media models with pressure-dependent viscosity

Uses Software

• PETSc
• FEniCS
• VisIt
• HDF
• ParaView
• TAO
• STREAM
• STREAM benchmark
• PFLOTRAN
• DMPlex
• TOUGH
• pTatin3D

This page was built for publication: Large-scale optimization-based non-negative computational framework for diffusion equations: parallel implementation and performance studies

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q514455)