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| Content Provider | IEEE Xplore Digital Library |
|---|---|
| Author | Nomura, K.-i. Seymour, R. Weiqiang Wang Dursun, H. Kalia, R.K. Nakano, A. Vashishta, P. Shimojo, F. Yang, L.H. |
| Copyright Year | 2009 |
| Description | Author affiliation: Collaboratory for Advanced Computing and Simulations, Department of Computer Science, Department of Physics & Astronomy, Department of Chemical Engineering & Material Science, University of Southern California, Los Angeles, 90089-0242, USA (Nomura, K.-i.; Seymour, R.; Weiqiang Wang; Dursun, H.; Kalia, R.K.; Nakano, A.; Vashishta, P.) || Department of Physics, Kumamoto University, 860-8555, Japan (Shimojo, F.) || Physics/H Division, Lawrence Livermore National Laboratory, CA 94551, USA (Yang, L.H.) |
| Abstract | A metascalable (or “design once, scale on new architectures”) parallel computing framework has been developed for large spatiotemporal-scale atomistic simulations of materials based on spatiotemporal data locality principles, which is expected to scale on emerging multipetaflops architectures. The framework consists of: (1) an embedded divide-and-conquer (EDC) algorithmic framework based on spatial locality to design linear-scaling algorithms for high complexity problems; (2) a space-time-ensemble parallel (STEP) approach based on temporal locality to predict long-time dynamics, while introducing multiple parallelization axes; and (3) a tunable hierarchical cellular decomposition (HCD) parallelization framework to map these O(N) algorithms onto a multicore cluster based on hybrid implementation combining message passing and critical section-free multithreading. The EDC-STEP-HCD framework exposes maximal concurrency and data locality, thereby achieving: (1) inter-node parallel efficiency well over 0.95 for 218 billion-atom molecular-dynamics and 1.68 trillion electronic-degrees-of-freedom quantum-mechanical simulations on 212,992 IBM BlueGene/L processors (superscalability); (2) high intra-node, multithreading parallel efficiency (nanoscalability); and (3) nearly perfect time/ensemble parallel efficiency (eon-scalability). The spatiotemporal scale covered by MD simulation on a sustained petaflops computer per day (i.e. petaflops·day of computing) is estimated as NT = 2.14 (e.g. N = 2.14 million atoms for T = 1 microseconds). |
| Starting Page | 1 |
| Ending Page | 10 |
| File Size | 799468 |
| Page Count | 10 |
| File Format | |
| ISBN | 9781424437511 |
| ISSN | 15302075 |
| DOI | 10.1109/IPDPS.2009.5160992 |
| Language | English |
| Publisher | Institute of Electrical and Electronics Engineers, Inc. (IEEE) |
| Publisher Date | 2009-05-23 |
| Publisher Place | Italy |
| Access Restriction | Subscribed |
| Rights Holder | Institute of Electrical and Electronics Engineers, Inc. (IEEE) |
| Subject Keyword | Spatiotemporal phenomena Computational modeling Clustering algorithms Multithreading Parallel processing Computer architecture Algorithm design and analysis Multicore processing Message passing Concurrent computing |
| Content Type | Text |
| Resource Type | Article |
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