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Practical parallel supercomputing: examples from chemistry and physics

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Published:01 August 1989Publication History

ABSTRACT

We use two large simulations, the chemical reaction dynamics of H + H2 and the collision of two galaxies to show that current parallel machines are capable of large supercomputer level calculations. We contrast the different architectural tradeoffs for these problems and draw some implications for future production parallel supercomputers.

References

  1. Appel:85a.Appel, A.W. "An efficient program for many-body simulation," Sci. Sial. Comput., 6:85, 1985.Google ScholarGoogle ScholarDigital LibraryDigital Library
  2. Balcells:89a.Balcells, M., and Quinn, P. J. "The formation of counterrotating cores in elliptical galaxies." Technical report, University of Wisconsin-Madison, 1989. Submitted to the Astrophysical Journal.Google ScholarGoogle Scholar
  3. Barnes:86a.Barnes, J., a~d Hut, P. "A hierarchical O(N log N) force calculation algorithm," Nalure, 324:446, 1986.Google ScholarGoogle Scholar
  4. Binney:87a.Binney, J., and Tremaine, S. Galactic Dynamics. Princeton University Press, Princeton, New Jersey, 1987.Google ScholarGoogle Scholar
  5. Callahan:88d.Callahan, D., and Kennedy, D. "Compiling programs for distributed-memory multlprocessors," in 1988 Workshop on Programming Languages and Compilers for Parallel Computing, Cornell, August 1988.Google ScholarGoogle Scholar
  6. Cuccaro:89a.Cuccaro, S. A., G., H. P., and Kuppermann, A. "Hyper-spherical coordinate reactive scattering using variational surface functions," Chemical Physics Letters, 154(2):155--164, January 1989. Caltech Report C3P-820.Google ScholarGoogle ScholarCross RefCross Ref
  7. Cuccaro:89b.Cuccaro, S. A., Hipes, P. G., and Kuppermann, A. "Symmetry analysis of accurate h + h2 resonances," Chemical Physics Letters, 157(5):440- 446, May 1989. Caltech Report C3P-821.Google ScholarGoogle ScholarCross RefCross Ref
  8. Fox:88a.Fox, G. C., Johnson, M. A., Lyzenga, G. A., Otto, S. W., Salmon, J. K., and Walker, D. W. Solving Problems on Concurrent Processors, volume 1. Prentice-Hall, Inc., Englewood Cliffs, NJ 07632, 1988. Google ScholarGoogle ScholarDigital LibraryDigital Library
  9. Fox:88b.Fox, G. C. "What have we learnt from using real parallel machines to solve real problems?," in G. C. Fox, editor, The Third Conference on Hypercube Concurrent Compulers and Applications, Volume 2, pages 897-955. ACM Press, 11 West 42nd Street, New York, NY 10036, January 1988. Caltech Report C3P-522. Google ScholarGoogle ScholarDigital LibraryDigital Library
  10. Fox:88mm.Fox, G. C. "A review of automatic load balancing and decomposition methods for the hypercube," in M. Schultz, editor, Numerical Algorithms for Modern Parallel Computer Architectures, pages 63-76. Springer-Verlag, 1988. Caltech Report C3P- 385.Google ScholarGoogle ScholarCross RefCross Ref
  11. Fox:88nn.Fox, G. C. "A graphical approach to load balancing and sparse matrix vector multiplication on the hypercube," in M. Schultz, editor, Numerical Algorithms .for Modern Parallel Computer Architectures, pages 37-62. Springer-Verlag, 1958. Caltech Report C3P-327b.Google ScholarGoogle Scholar
  12. Fox:89n.Fox, G. C. "Parallel computing comes of age: Supercomputer level parallel computations at Caltech." Technical Report C3P-795, California Institute of Technology, June 1989. To be published in Concurrency: Practice and Experience.Google ScholarGoogle Scholar
  13. Fox:89p.Fox, G. C. "Applications of parallel supercomputers: Scientific results and computer science lessons." Technical Report C3P-806, California Institute of Technology, June 1989. Invited presentation at the Inaugural Symposium for the Center for Science and Technology, Syracuse, March, 2, 1989, MIT Press to be published.Google ScholarGoogle Scholar
  14. Greengard:88a.Greengard, L. "The rapid evaluation of potential fields in particle systems," in A CM Distinguished Dissertation Series, Vol. IV. MIT Press, Cambridge, Mass., 1988. Yale research repor~ YALEU/DCS/RR-533 (April 1987). Google ScholarGoogle ScholarDigital LibraryDigital Library
  15. Hernquist:87a.Hernquist, L. "Performance characteristics of tree codes," Astrophysical Journal Supplement, 64(4):715-734, 1987.Google ScholarGoogle ScholarCross RefCross Ref
  16. Hernquist:87b.Hernquist, L., and Quinn, P.J. "Shells and dark matter in elliptical galaxies," Astrophysical Journal, 312:1-16, January 1987.Google ScholarGoogle ScholarCross RefCross Ref
  17. Hernquist:88a.tternquist, L. "Vectorization of tree traversals." Technical Report IASSNS-AST 88/64, Institute for Advanced Study, Princeton, 1988.Google ScholarGoogle Scholar
  18. Hillis:86a.Hillis, D., and Steele, G. "Data parallel algorithms," Comm. ACM, 29:1170, 1986. Google ScholarGoogle ScholarDigital LibraryDigital Library
  19. Hipes:87a.tIipes, P., and Kuppermann, A. "Lifetime analysis of high energy resonances in threedimensional reactive scattering," Chem P Lett, 133(1):1-7, 1987. Caltech Report C3P-382.Google ScholarGoogle ScholarCross RefCross Ref
  20. Hipes:88a.Hipes, P. G., and Kuppermann, A. "Gauss- Jordan inversion with pivoting on the Caltech hlark II hypercube," in G. C. Fox, editor, The Third Conference on Hypercube Concurrent Computers and Applications, Volume P, pages 1621-1634. ACM Press, 11 "West 42nd Street, New York, NY 10036, January 1988. Caltech Report C3P-578. Google ScholarGoogle ScholarDigital LibraryDigital Library
  21. Hipes:88b.Hipes, P., Mattson, T., Wu, M., and Kuppermann, A. "Chemical reaction dynamics: Integration of coupled sets of ordinary differential equations on the Caltech hypercube," in G. C. Fox, editor, The Third Conference on Hypercube Concurrent Computers and Applications, Volume 2, pages 1051-1061. ACM Press, 11 West 42nd Street, New York, NY 10036, January 1988. Caltech Report C3P-570. Google ScholarGoogle ScholarDigital LibraryDigital Library
  22. Ipsen:87a.ipsen, I. C. F., and Jessup, E. R., "Solving the symmetric tridiagonal Eigenvalue problem on the hypercube." Yale Internal Report: YALEU/DCS/RR- 548, 1987.Google ScholarGoogle Scholar
  23. Jackson:75a.Jackson, J. D. Classical Electrodynamics. john Wiley a,nd Sons, second edition, 1975.Google ScholarGoogle Scholar
  24. Johnson:73a.Johnson, B. It. "The multi-channel logderivative method for scattering calculations," Journal of Computalional Physics, 49:23, 1973.Google ScholarGoogle Scholar
  25. Kuppermann:86a.Kuppermann, A., and IIipes, P. G. "Three-dimensional quantum mechanical reactive scattering using symmetrized hyperspherical coordinates," J. Chem. Phys., 84(10):5962-5964, 1986. Caltech Report C3P-343.Google ScholarGoogle ScholarCross RefCross Ref
  26. Long:89a.Long, L., Khan, M., and sharp, H. "A massively-pa~:allel three dimensional Euler/Navier- Stokes method," in AIAA 9th Computational Fluid Dynamics Conference, pages 89-102. American Institute of Aeronatucis and Astronautics, June 1989. AIAA-89-1937.Google ScholarGoogle Scholar
  27. Nieh:88a.Nieh, J.-C., and Valentini, J. J. "Experimented observation of dynamical resonances in the h + h2 reaction," Phys. Hey. Letters, 60(6):519, 1988.Google ScholarGoogle ScholarCross RefCross Ref
  28. Nieh:89a.Nieh, J.-C., and Valentini, J.J. "State-tostate dynamics of the h + p -- h~ to o-, p-h2 reaction: Feshbach resonance and vibrational spectroscopy of transition sta,te," Journal of Chemical Physics, 1989. Submitted, July 1989.Google ScholarGoogle Scholar
  29. Patterson:88a.Patterson, J. E., and Zirnmerman, B. A. "Hypercube workstations for real-time signal processing and analysis." Proposal C3P-516, California Institute of Technology, January 1988.Google ScholarGoogle Scholar
  30. Phillips:89a.Phillips, D. L., Levene, IIarold, B., and Valentini, J. J. "Experimental study of the dynamics of d + h2 reactive and inelastic collisions below lev relative energy," Journal of Chemical Physics, 90(3):1600, 1989.Google ScholarGoogle ScholarCross RefCross Ref
  31. Prieur:89a.Prieur, J.-L. "Status of shell galaxies." To be published in the Proceedings of the IIeidelberg Conference on the Dynamics and Interactions of Galaxies, eds., A. Toomre and R. Wielen, Springer-Verlag publishers.Google ScholarGoogle Scholar
  32. Quinn:84a.Quinn, P. J. "On the formation and dynamics of shells around elliptical galaxies," Astrophysical journal, 279:596-609, April 1984.Google ScholarGoogle ScholarCross RefCross Ref
  33. Quinn:86b.Quirm, P. J., Salmon, j. K., and Zurek, W. It. "Primordial density fluctuations and the structure of galactic haloes," Nalure, 322:329, 1986. Caltech Report 03P-316b.Google ScholarGoogle Scholar
  34. Quinn:89a.Quinn, P. J., Salmon, J., and "~iq~rren, M. "N-Body experiments in shell formation." In preparation, 1989.Google ScholarGoogle Scholar
  35. Quinn:89b.Quinn, P. J., and Zurek, W., 1989. Private communication.Google ScholarGoogle Scholar
  36. Salmon:89a.Salmon, J., Quinn, P., and Warren, M. "Using parallel computers for very large N-body simulations: Shell formation using 180K particles." Technical Report C3P-780, California Institute of Technology, April i989. To be published in the Proceedings of the Heidelberg Conference on the Dynamics and Interactions of Galaxies, eds., A. Toorme and R. Wielen, Springer-Verlag publishers.Google ScholarGoogle Scholar
  37. Simon:89a.Simon, It. D., editor. Proceedings of the 1988 International Conference on Scientific Applications of the Connection Machine, 687 Hartwell Street, Teaneck, NJ 07666, September 1989. World Scientific Publishing Co., Ltd. Google ScholarGoogle ScholarDigital LibraryDigital Library
  38. Williams:89b.Williams, 1~. D. "Supersonic flow in parallel with an unstructured mesh." Technical Report C3P-636b, California Institute of Technology, May 1989. To be published in Concurrency: Practice and Experience.Google ScholarGoogle Scholar
  39. Zima:88a.Zima, H. P., Bast, tt.-J., and Gerndt, M. "SUPERB: a tool for semi-automatic MIMD/SIMD parallelization," Parallel Computing, 6:1, 1988.Google ScholarGoogle ScholarCross RefCross Ref

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                  cover image ACM Conferences
                  Supercomputing '89: Proceedings of the 1989 ACM/IEEE conference on Supercomputing
                  August 1989
                  849 pages
                  ISBN:0897913418
                  DOI:10.1145/76263

                  Copyright © 1989 ACM

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                  Publication History

                  • Published: 1 August 1989

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