Abstract
Researchers at Oak Ridge National Laboratory have developed an application code for calculating the electronic properties and energetics of disordered materials. The same source code has been compiled and run on workstations, Crays, and the Intel iPSC/860. This electronic structures code is capable of running at over 2 gigaflops on both an 8-processor CRAY Y-MP and a 128-processor Intel iPSC/860. Using this new KKR-CPA code, we executed density-of-state computations of a perovskite superconductor at a rate of 2527 megaflops on the Intel iPSC/860. This corresponds to a price/performance rate of 842 megaflops per $1 million based on the list price of this computer. Similar but smaller computations done on a network of ten IBM RS/6000 workstations executed at a price/performance rate of 1.3 gigaflops per $1 million.
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References
von Barth, U. 1984. Density functional theory for solids. In Electronic Structure of Complex Systems (P. Phariseau and W.M. Temmerman, eds.), NATO ASI Series, Plenum Press, New York.
Beguelin, A., Dongarra, J., Geist, A., Manchek, R., and Sunderam, V. 1991. A user's guide to PVM. Tech. rept. ORNL/TM-11826, Oak Ridge Nat. Lab., Oak Ridge, Tenn.
Ginatempo, B., and Staunton, J.B. 1988. The electronic structure of disordered alloys containing heavy elements-An improved calculational method illustrated by a study of CuAg alloy. J. Phys. F, 18: 1827.
Györffy, B.L., Johnson, D.D., Pinksi, F.J., Nicholson, D.M., and Stocks, G.M. 1987. The electronic structure and state of compositional order in metallic alloys. In Alloy Phase Stability (G.M. Stocks and Gonis, eds.), NATO ASI Series, Kluwer Acad. Pub., Norwell, Mass.
Halley, J.W. 1988. Theory of High Temperature Superconductors. Addison-Wesley, Reading, Mass.
Johnson, D.D., Nicholson, D.M., Pinski, F.J., Györffy, B.L., and Stocks, G.M. 1990. Total energy and pressure calculations for random substitutional alloys. Phys. Rev. B., 41: 9701.
Lawson, C., Hanson, R., Kincaid, D., and Krogh, F. 1979. Basic linear algebra subprograms for Fortran usage. ACM Trans. Math. Software, 5: 308.
Shelton, W.A., Stocks, G.M., Barbieri, A., Pinski, F.J., and Györffy, B.L. 1992 (in preparation). Electronic structure and Fermi surface nesting in (BaxK1-x)BiO3.
Stocks, G.M., Temmerman, W.M., and Györffy, B.L. 1978. Complete solution of the Korringa-Kohn-Rostoker coherent potential approximation: Cu-Ni alloys. Phys. Rev. Letter, 41: 339.
Winter, H., and Stocks, G.M. 1983. Calculation of self-consistent potentials for substitutionally disordered systems with application to the Ag x Pd1-x alloy series. Phys. Rev. Letters B, 27: 882.
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This research was supported by the Applied Mathematical Sciences Research Program, Office of Energy Research, and the Division of Materials Sciences, U.S. Department of Energy, under contract DE-AC05-84OR21400 with Martin Marietta Energy Systems, Inc.
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Geist, G.A., Ginatempo, B., Shelton, W.A. et al. Parallel superconductor code on the iPSC/860. J Supercomput 6, 153–162 (1992). https://doi.org/10.1007/BF00129776
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DOI: https://doi.org/10.1007/BF00129776