Large-scale optimization-based non-negative computational framework for diffusion equations: parallel implementation and performance studies
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algorithmnumerical experimentsfinite element methodmaximum principlesanisotropic diffusionhigh performance computinglarge-scale optimizationnon-negative constraintGalerkin formulation
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)
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.
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- A numerical framework for diffusion-controlled bimolecular-reactive systems to enforce maximum principles and the non-negative constraint
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