Title
High Performance MP Unstructured Finite Element Simulation of Chemically Reacting Flows
Abstract
Many scientific and engineering applications require a detailed analysis of complex systems with strongly coupled fluid flow, thermal energy transfer, mass transfer and non-equilibrium chemical reactions. Examples include combustion research for transportation and energy conversion systems, surface catalytic reactors and the modeling of chemical vapor deposition (CVD) processing for advanced semiconductor materials. Here we describe the performance of MPSalsa, a modeling code designed to simulate these complex flows on large-scale parallel machines. MPSalsa uses 3D unstructured finite element methods, fully implicit time integration and general gas phase and surface species chemical kinetics to model geometrically complex flow systems. The implicit nature of the algorithm requires the solution of a coupled set of nonlinear PDEs on complex domains, a difficult task on the distributed memory architectures of modern large-scale parallel machines. To address this difficulty, we have designed MPSalsa around general kernels for automated problem partitioning, efficient unstructured message passing communication, a distributed sparse-block matrix representation of the fully summed global finite element equations and a parallel preconditioned Krylov iterative solver library ( Aztec). Using these techniques we have obtained a sustained rate of over 210 Gflop/s on a 3D chemically reacting flow problem.
Year
Venue
Keywords
1997
SC
unstructured finite element methods,parallel computing,chemically reacting flow,energy transfer,chemical vapor deposition,finite element,mass transfer,chemical engineering,complex system,fluid flow,chemical analysis,parallel computer,finite element method,chemical kinetics,kinetic theory,inductors,finite element methods,chemical reaction,matrix representation,message passing,computational modeling
Field
DocType
Citations 
Complex system,Nonlinear system,Computer science,Flow (psychology),Finite element method,Computational science,Fluid dynamics,Mass transfer,Matrix representation,Message passing
Conference
2
PageRank 
References 
Authors
0.48
1
6
Name
Order
Citations
PageRank
Karen D. Devine140424.66
Gary L. Hennigan2334.30
Scott A. Hutchinson3346.29
Andrew G. Salinger436731.05
John N. Shadid525932.24
Ray S. Tuminaro644738.09