A High Performance Chemical Kinetics Algorithm for 3-D Atmospheric Models

  • Authors:
  • Colin J. Aro;Garry H. Rodrigue;Douglas A. Rotman

  • Affiliations:
  • Scientific Computing Applications Division, Lawrence Livermore National Laboratory, California, U.S.A.;Department of Applied Science, UC Davis, and Lawrence Livermore National Laboratory, California, U.S.A.;Global Climate Research Division, Lawrence Livermore National Laboratory, California, U.S.A.

  • Venue:
  • International Journal of High Performance Computing Applications
  • Year:
  • 1999

Quantified Score

Hi-index 0.01

Visualization

Abstract

Atmospheric chemistry transport (CT) models are vital in performing research on atmospheric chemical change. Even with the enormous computing capability delivered by massively parallel systems, many extended three-dimensional global CT simulations are not computationally feasible. The major obstacle in an atmospheric CT model is the nonlinear ordinary differential equation (ODE) system describing the chemical kinetics in the model. These ODE systems are usually stiff and can account for a significant portion of the total CPU time required to run the model. In this report, we describe a simple explicit algorithm useful in treating chemical ODE systems. This algorithm is one of a growing number of preconditioned time-stepping procedures based on dynamic iteration. In this study, the algorithm is compared with an established, general-purpose implementation of the common backward differentiation formulas. It is shown to be a viable choice for the chemical kinetics in a full 3-D atmospheric CT model across architectural platforms and with no special implementation.