S. Kohn, J. Weare, M. E. Ong, and S. B. Baden, Software abstractions and computational issues in parallel structured adaptive mesh methods for electronic structure calculations, in Workshop on Structured Adaptive Mesh Refinement Grid Methods, Institute for Mathematics and Its Applications, University of Minnesota, Minneapolis, MN., 1997, p. to appear.  Home/Search   Document Details and Download   Summary   Related Articles   Check

.... Computing, Lawrence Livermore National Laboratory) John Weare(Department of Chemistry, UCSD) and Scott Baden (Department of Computer Science and Engineering, UCSD) implemented a structured adaptive mesh refinement algorithm to first principles simulations of electronic structures using KeLP [91]. This application uses adaptive mesh refinement to solve the Local Density Approximation to the Schrodinger equation for materials. ffl In collaboration with Keiko Nomura and Tamara Grimmett (Department of Applied and Mechanical Engineering, UCSD) Scott Baden and Jeffrey Howe (Department of ....

S. Kohn, J. Weare, M. E. Ong, and S. B. Baden. Software abstractions and computational issues in parallel structured adaptive mesh methods for electronic structure calculations. In Proceedings of the Workshop on Structured Adaptive Mesh Refinement Grid Methods, Minneapolis, MN, March 1997.

....community. 2 The SAMRAI Framework Structured adaptive mesh re nement has shown great potential as a numerical simulation methodology for a variety of applications in computational uid dynamics [1, 2, 12] laserplasma interactions [6] radiation transport [11] porous media [10] and materials [9, 13, 14]. However, SAMR methods are not widely used in the scienti c computing community. The primary reason for this is that SAMR codes are complex and require a substantial amount of software infrastructure to support productive application development. Fortunately, many software components are common ....

S. Kohn, J. Weare, E. Ong, and S. Baden, Software abstractions and computational issues in parallel structured adaptive mesh methods for electronic structure calculations, in Proceedings of the Workshop on Structured Adaptive Mesh Renement Grid Methods, Minneapolis, MN, March 1997, Springer-Verlag.

....are amenable to bulk synchronous execution. The design of dual tier KeLP has evolved from a single tier variant in use for three years at the time of this writing [9] and inherits the Point, Region, Grid, and XArray abstractions from the LPARX programming system [47] A variety of applications [48, 10, 11] and computer science projects [12, 49, 13, 14, 50] have used or are using the single tier KeLP system. We are currently studying KeLP2 and its applications on the Department of Energy s ASCI Blue Pacific TR machine. The KeLP programming model presented here manages locality and parallelism for a ....

S. Kohn, J. Weare, M. E. Ong, and S. B. Baden, "Software abstractions and computational issues in parallel structured adaptive mesh methods for electronic structure calculations," in Proc. Workshop on Structured Adaptive Mesh Refinement Grid Methods, (Minneapolis, MN), Mar. 1997.

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S. Kohn, J. Weare, M. E. Ong, and S. B. Baden, Software abstractions and computational issues in parallel structured adaptive mesh methods for electronic structure calculations, in Workshop on Structured Adaptive Mesh Refinement Grid Methods, Institute for Mathematics and Its Applications, University of Minnesota, Minneapolis, MN., 1997, p. to appear.

No context found.

S. Kohn, J. Weare, M. E. Ong, and S. B. Baden, Software abstractions and computational issues in parallel structured adaptive mesh methods for electronic structure calculations, in Proceedings of the Workshop on Structured Adaptive Mesh Refinement Grid Methods, Institute for Mathematics and Its Applications, University of Minnesota, Minneapolis, MN, 1997.

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