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Multiphysics Simulations and Petascale Computing

3.6 Looking Ahead

The convergence of multiscale, multiphysics applications with rapidly in- creasing parallelism requires computational scientists to rethink their ap- proach to application development and execution. The largest current ma- chine, Blue Gene/L, has challenged developers to utilize effectively more than 100,000 cores. Several teams have achieved notable successes, but accomplish- ments that now lead the field will need to become commonplace if the scientific computing community is to fully exploit the power of the next generation of supercomputers. Heroic efforts in application development and performance tuning must give way to standardized scalable algorithms and programming methodologies that allow computational scientists to focus on their science rather than underlying computer science issues.

Work is now underway at LLNL and other research institutions to find the best ways to harness petascale computers, but these efforts will not yield near- term results. When large-scale distributed memory computers began to domi- nate scientific computing in the early 1990s, there was a period of uncertainty as developers of hardware, systems software, middleware, and applications worked to determine which architectures and programming models offered the best combination of performance, development efficiency, and portability. Eventually, a more-or-less standard model emerged that embraced data par- allel programming on commodity processors using MPI communication and high-speed interconnection networks.

The next generation of applications and hardware will bring about another period of uncertainty. Multiphysics simulations need programming models that more naturally lend themselves to MPMD applications. In light of this, the authors believe that the dominant paradigm for computational science ap- plications running on petascale computers will be task parallel programming that combines multiple scalable components into higher-level programs.

3.7

Acknowledgments

We thank the following colleagues for generously contributing to this chap- ter: Bob Anderson, Nathan Barton, Erik Draeger, Rob Falgout, Rich Hor- nung, David Jefferson, David Keyes, Gary Kumfert, James Leek, Fred Streitz, and John Tannahill. We also acknowledge the U.S. National Nuclear Security Administration’s Advanced Simulation and Computing program, the Depart- ment of Energy Office of Science’s Scientific Discovery through Advanced Computing program, and LLNL’s Laboratory Directed Research and Devel- opment program for their support.

This work was performed under the auspices of the U.S. Department of Energy by University of California, Lawrence Livermore National Laboratory under Contract W-7405-Eng-48. UCRL-BOOK-227348.

References

[1] E. Allen, D. Chase, J. Hallett, V. Luchangco, J.-W. Maessen, S. Ryu, G. L. Steel Jr., and S. Tobin-Hochstadt. The Fortress Language Speci- fication. Sun Microsystems, Inc., 1.0 alpha edition, 2006.

[2] R. W. Anderson, N. S. Elliott, and R. B. Pember. An arbitrary Lagrangian-Eulerian method with adaptive mesh refinement for the solution of the Euler equations. Journal of Computational Physics, 199(2):598–617, 20 September 2004.

[3] A. H. Baker, R. D. Falgout, and U. M. Yang. An assumed partition al- gorithm for determining processor inter-communication. Parallel Com- puting, 31:319–414, 2006.

[4] N. R. Barton, J. Knap, A. Arsenlis, R. Becker, R. D. Hornung, and D. R. Jefferson. Embedded polycrystal plasticity and in situ adaptive tabulation. International Journal of Plasticity, 2007. In press.

[5] D. Callahan, B. L. Chamberlain, and H. P. Zima. The Cascade high pro- ductivity language. InProceedings of the Ninth International Workshop on High-Level Parallel Programming Models and Supportive Environ- ments, pages 52–60, 2004.

[6] P. Charles, C. Grothoff, V. Saraswat, C. Donawa, A. Kielstra, K. Ebcioglu, C. von Praun, and V. Sarkar. X10: An object-oriented

approach to non-uniform cluster computing. InOOPSLA ’05: Proceed- ings of the 20th annual ACM SIGPLAN Conference on Object Oriented Programming, Systems, Languages, And Applications, pages 519–538, New York, NY, 2005. ACM Press.

[7] T. Dahlgren, T. Epperly, G. Kumfert, and J. Leek. Babel User’s Guide. CASC, Lawrence Livermore National Laboratory, Livermore, CA, babel- 1.0 edition, 2006.

[8] H. De Sterck, U. M Yang, and J. J. Heys. Reducing complexity in parallel algebraic multigrid preconditioners. SIAM Journal on Matrix Analysis and Applications, 27:1019–1039, 2006.

[9] A. Gara, M. A. Blumrich, D. Chen, G. L.-T. Chiu, P. Coteus, M. E. Giampapa, R. A. Haring, P. Heidelberger, D. Hoenicke, G. V. Kopcsay, T. A. Liebsch, M. Ohmacht, B. D. Steinmacher-Burow, T. Takken, and P. Vranas. Overview of the Blue Gene/L system architecture. IBM Journal of Research and Development, 49(2/3), 2005.

[10] D. Geer. Industry trends: Chip makers turn to multicore processors. Computer, 38(5):11–13, 2005.

[11] W. Gropp, S. Huss-Lederman, A. Lumsdaine, E. Lusk, B. Nitzberg, W. Saphir, and M. Snir. MPI - The Complete Reference: Volume 2, The MPI-2 Extensions. MIT Press, Cambridge, MA, 1998.

[12] F. Gygi, E. W. Draeger, M. Schulz, B. R. de Supinksi, J. A. Gunnels, V. Austel, J. C. Sexton, F. Franchetti, S. Kral, C. W. Ueberhuber, and J. Lorenz. Large-scale electronic structure calculations of high-Z metals on the Blue Gene/L platform. InProceedings of the IEEE/ACM SC06 Conference, 2006.

[13] R. D. Hornung, A. M. Wissink, and S. R. Kohn. Managing complex data and geometry in parallel structured AMR applications.Engineering with Computers, 22(3–4):181–195, December 2006.

[14] D. R. Jefferson, N. R. Barton, R. Becker, R. D. Hornung, J. Knap, G. Kumfert, J. R. Leek, J. May, P. J. Miller, and J. Tannahill. Overview of the cooperative parallel programming model. In preparation, 2007. [15] H.W. Meuer, E. Strohmaier, J.J. Dongarra, and H.D. Simon. TOP500

Supercomputer Sites. http://www.top500.org.

[16] S. B. Pope. Computationally efficient implementation of combustion chemistry usingin situ adaptive tabulation. Combustion Theory Mod- elling, 1(1):41–63, January 1997.

[17] F. H. Streitz, J. N. Glosli, M. V. Patel, B. Chan, R. K. Yates, and B. R. de Supinksi. 100+ TFlop solidification simulations on Blue Gene/L. In Proceedings of the ACM/IEEE SC|05 Conference, 2005.

[18] H. S. Wijesinghe, R. D. Hornung, A. L. Garcia, and N. G. Hadjicon- stantinou. Three-dimensional hybrid continuum-atomistic simulations for multiscale hydrodynamics. Journal of Fluids Engineering, 126:768– 777, 2004.

Chapter 4

Scalable Parallel AMR for the