David E Keyes et al 2006 J. Phys.: Conf. Ser. 46 433 doi:10.1088/1742-6596/46/1/060
David E Keyes1, Daniel R Reynolds2 and Carol S Woodward3
Show affiliationsComputational scientists are grappling with increasingly complex, multi-rate applications that couple such physical phenomena as fluid dynamics, electromagnetics, radiation transport, chemical and nuclear reactions, and wave and material propagation in inhomogeneous media. Parallel computers with large storage capacities are paving the way for high-resolution simulations of coupled problems; however, hardware improvements alone will not prove enough to enable simulations based on brute-force algorithmic approaches. To accurately capture nonlinear couplings between dynamically relevant phenomena, often while stepping over rapid adjustments to quasi-equilibria, simulation scientists are increasingly turning to implicit formulations that require a discrete nonlinear system to be solved for each time step or steady state solution. Recent advances in iterative methods have made fully implicit formulations a viable option for solution of these large-scale problems. In this paper, we overview one of the most effective iterative methods, Newton-Krylov, for nonlinear systems and point to software packages with its implementation. We illustrate the method with an example from magnetically confined plasma fusion and briefly survey other areas in which implicit methods have bestowed important advantages, such as allowing high-order temporal integration and providing a pathway to sensitivity analyses and optimization. Lastly, we overview algorithm extensions under development motivated by current SciDAC applications.
07.05.Hd Data acquisition: hardware and software
07.05.Rm Data presentation and visualization: algorithms and implementation
07.05.Bx Computer systems: hardware, operating systems, computer languages, and utilities
07.05.Kf Data analysis: algorithms and implementation; data management
Issue 1 (2006)
David E Keyes et al 2006 J. Phys.: Conf. Ser. 46 433
B. A. Whitney et al. 2008 The Astronomical Journal 136 18
G Massiera et al 2003 J. Phys.: Condens. Matter 15 S225
Murat Durandurdu 2009 J. Phys.: Condens. Matter 21 452204
V V Brazhkin et al 2005 J. Phys.: Condens. Matter 17 1869
Juan P Neirotti and Nestor Caticha 2006 J. Phys. A: Math. Gen. 39 10355
K Jänkälä et al 2007 J. Phys. B: At. Mol. Opt. Phys. 40 3435
J. Schulz et al 2008 EPL 83 53001
A G Kochur et al 2008 J. Phys. B: At. Mol. Opt. Phys. 41 215002
Ph Wernet et al 2002 J. Phys. B: At. Mol. Opt. Phys. 35 3887