S. J. Plimpton. Scalable Parallel Molecular Dynamics on MIMD supercomputers. In Proceedings of Scalable High Performance Computing Conference-92, 1992. Home/Search Document Not in Database Summary Related Articles Check |
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Parallelizing Molecular Dynamics Codes using Parti Software.. - Das Saltz (1993) (6 citations) (Correct)
....first is the development of efficient and inherently parallelizable algorithms to do the inter particle force calculations, which happens to consume bulk of the computation time in these codes. A number of parallel algorithms has been designed and implemented for both SIMD and MIMD architectures [7, 1, 8, 9]. The second is an implementation issue. Most often, the programmer is required to explicitly distribute large arrays over multiple local processor memories, and keep track of which portions of each array reside on which processors. In order to access a given element of a distributed array, ....
S. Plimpton and G. Heffelfinger, Scalable parallel molecular dynamics on mimd supercomputers, in SHPCC92, Williamsburg, April 1992.
Fast Parallel Algorithms for Short-Range Molecular Dynamics - Plimpton (1995) (50 citations) Self-citation (Plimpton) (Correct)
.... parallel machines such as the CM 2 [12, 52] or for multiple instruction multiple data (MIMD) parallel machines with a few dozens of processors [26, 37, 39, 46] Recently there have been efforts to create scalable algorithms that work well on hundred to thousand processor MIMD machines [9, 14, 20, 41, 51]. We are convinced that the message passing model of programming for MIMD machines is the only one that provides enough flexibility to implement all the data structure and computational enhancements that are commonly exploited in MD codes on serial and vector machines. Also, we have found that it ....
....will enable larger problems to be studied. Our earlier efforts in this area [40] produced algorithms which were fast for systems with up to tens of thousands of atoms but did not scale optimally with N for larger systems. We improved on this effort to create a scalable large system algorithm in [41]. The spatial decomposition algorithm we present here is also unique in that it performs well on relatively small problems (only a few atoms per processor) In addition, we have added an idea due to Tamayo and Giles [51] that has improved the algorithm s performance on medium sized problems by ....
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S. J. Plimpton. Scalable parallel molecular dynamics on MIMD supercomputers. In Proc. Scalable High Performance Computing Conference--92, pages 246--251. IEEE Computer Society Press, 1992. 36
Exploiting Non-blocking Remote Memory Access.. - Tipparaju.. (1 citation) (Correct)
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S. J. Plimpton. Scalable Parallel Molecular Dynamics on MIMD supercomputers. In Proceedings of Scalable High Performance Computing Conference-92, 1992.
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