Abstract
We consider the numerical solution on distributed-memory parallel arrays of vector processors of some large-scale eigenvalue problems which arise in chemistry and physics. Applications from a variety of areas are discussed, including molecular dynamics, quantum chemistry, optical physics, chemical reactions, and hydrodynamic stability.
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References
J. Dongarra and R. Van de Geijn, Reduction to condensed form for the eigenvalue problem on distributed memory architectures, Parallel Computing, 18 (1992), pp. 973–982.
D. Harrar II and M. Osborne, Solving large-scale eigenvalue problems on vector parallel processors, in Proc. of Int. Conf. on Vector and Parallel Processing: VECPAR’98, Berlin, Springer-Verlag. Submitted.
M. Hegland and M. Osborne, Wrap-around partitioning for block bidiagonal systems, IMA J. Num. Anal. to appear.
F. Ladouceur, 1997. Numerical Photonics Library, version 1.0.
D. Marcuse, Solution of the vector wave equation for general dielectric waveguides by the Galerkin method, IEEE J. Quantum Elec., 28,(2) (1992), pp. 459–465.
M. Nakanishi, H. Ina, and K. Miura, A high performance linear equation solver on the VPP500 parallel supercomputer, in Proc. Supercomput. ’94, 1994.
M. Osborne and D. Harrar II, Inverse iteration and deflation in general eigenvalue problems, Tech. Rep. Mathematics Research Report No. MRR 012-97, Australian National University. submitted.
A. Rasmussen and S. Smith, 1998. Private communication.
W. Thiel, 1994. Program MNDO94, version 4.1.
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Harrar, D.L., Osborne, M.R. (1998). Parallel solution of some large-scale eigenvalue problems arising in chemistry and physics. In: Kågström, B., Dongarra, J., Elmroth, E., Waśniewski, J. (eds) Applied Parallel Computing Large Scale Scientific and Industrial Problems. PARA 1998. Lecture Notes in Computer Science, vol 1541. Springer, Berlin, Heidelberg . https://doi.org/10.1007/BFb0095339
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DOI: https://doi.org/10.1007/BFb0095339
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