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检索条件"任意字段=7th Workshop on Latest Advances in Scalable Algorithms for Large-Scale Systems, ScalA 2016"

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Proceedings of scala 2016: 7th workshop on latest advances in scalable algorithms for large-scale systems - Held in conjunction with SC16: the International Conference for High Performance Computing, Networking, Storage and Analysis

Proceedings of ScalA 2016: 7th Workshop on Latest Advances i...

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7th workshop on latest advances in scalable algorithms for large-scale systems, scala 2016

ISBN: (纸本)9781509052226

the proceedings contain 11 papers. the topics discussed include: effective dynamic load balance using space-filling curves for large-scale SPH simulations on GPU-rich supercomputers;towards fast scalable solvers for charge equilibration in molecular dynamics applications;left-preconditioned communication-avoiding conjugate gradient methods for multiphase CFD simulations on the K computer;the gyrokinetic particle simulation of fusion plasmas on tianhe-2 supercomputer;extremely scalable algorithm for 108-atom quantum material simulation on the full system of the K computer;performance scaling variability and energy analysis for a resilient ULFM-based PDE solver;batched generation of incomplete sparse approximate inverses on GPUs;a massively parallel distributed n-body application implemented with HPX;randomized sketching for large-scale sparse ridge regression problems;optimizing plasma eigensolver on large shared memory system;and on Monte Carlo hybrid methods for linear algebra.

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Extremely scalable algorithm for 108-atom quantum material simulation on the full system of the K computer 7

Extremely scalable algorithm for 108-atom quantum material s...

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7th workshop on latest advances in scalable algorithms for large-scale systems, scala 2016

作者： Hoshi, Takeo Imachi, Hiroto Kumahata, Kiyoshi Terai, Masaaki Miyamoto, Kengo Minami, Kazuo Shoji, Fumiyoshi Department of Applied Mathematics and Physics Tottori University 4-101 Koyama-Minami Tottori Japan Operations and Computer Technologies Division RIKEN Advanced Institute for Computational Science 7-1-26 Minatojima-minami-machi Chuo-kuKobe Japan

ISBN: (纸本)9781509052226

An extremely scalable linear-algebraic algorithm was developed for quantum material simulation (electronic state calculation) with 108 atoms or 100-nm-scale materials. the mathematical foundation is generalized shifted linear equations ((zB - A)x = b), instead of conventional generalized eigenvalue equations. the method has a highly parallelizable mathematical structure. the benchmark shows an extreme strong scaling and a qualified time-to-solution on the full system of the K computer. the method was demonstrated in a real material research for ultra-flexible (organic) devices, key devices of next-generation Internet-of-things (IoT) products. the present paper shows that an innovative scalable algorithm for a real research can appear by the co-design among application, algorithm and architecture. © 2016 IEEE.

关键词： Quantum theory

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Effective dynamic load balance using space-filling curves for large-scale SPH simulations on GPU-rich supercomputers 7

Effective dynamic load balance using space-filling curves fo...

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7th workshop on latest advances in scalable algorithms for large-scale systems, scala 2016

作者： Tsuzuki, Satori Aoki, Takayuki Japan Agency for Marine-Earth Science and Technology 3173-25 Showa-machi Kanazawa-ku Yokohama-cityKanagawa236-0001 Japan Tokyo Institute of Technology 2-12-1 i7-3 O-okayama Meguro-kuTokyo152-8550 Japan

ISBN: (纸本)9781509052226

Billion of particles are required to describe fluid dynamics by using smoothed particle hydrodynamics (SPH), which computes short-range interactions among particles. In this study, we develop a novel code of large-scale SPH simulations on a multi-GPU platform by using the domain decomposition technique. the computational load of each decomposed domain is dynamically balanced by applying domain re-decomposition, which maintains the same number of particles in each decomposed domain. the performance scalability of the SPH simulation is examined on the GPUs of a TSUBAME 2.5 supercomputer by using two different techniques of dynamic load balance: the slice-grid method and the hierarchical domain decomposition method using the space-filling curve. the weak and strong scalabilities of a test case using 111 million particles are measured with 512 GPUs. In comparison with the slice-grid method, the performance keeps improving in proportion to the number of GPUs in the case of the space-filling curve. the Hilbert curve and the Peano curve show better performance scalabilities than the Morton curve in proportion to the increase in the number of GPUs. © 2016 IEEE.

关键词： Graphics processing unit

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workshop Overview

Workshop Overview

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workshop on latest advances in scalable algorithms for large-scale systems (scala)

Presents the introductory welcome message from the conference proceedings. May include the conference officers' congratulations to all involved with the conference event and publication of the proceedings record.

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Towards fast scalable solvers for charge equilibration in molecular dynamics applications

Towards fast scalable solvers for charge equilibration in mo...

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7th workshop on latest advances in scalable algorithms for large-scale systems, scala 2016

作者： O'Hearn, Kurt A. Aktulga, Hasan Metin Department of Computer Science and Engineering Michigan State University East LansingMI United States

ISBN: (纸本)9781509052226

Including atom polarizability in molecular dynamics (MD) simulations is important for high-fidelity simulations. Solvers for charge models that are used to dynamically determine atom polarizations constitute significant bottlenecks in terms of time-to-solution and the overall scalability of polarizable and reactive force fields. the objective of this work is to improve the performance of the charge equilibration (QEq) method on shared memory architectures. A number of parallel incomplete LU-based preconditioning techniques are explored to enhance the performance of the Krylov subspace methods used in the QEq model. Detailed analysis of how these techniques effect convergence rate and the overall solver performance is presented. ILU-based schemes which produce good quality factors with relatively low number of nonzeros have been observed to yield significant speedups over the diagonal inverse baseline preconditioner. these results are significant as they can enable efficient simulations of moderate-sized systems on a single node with several cores, and also because they can constitute the future building blocks for distributed memory parallel solvers. © 2016 IEEE.

关键词： Molecular dynamics

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workshop overview

Proceedings of ScalA 2016: 7th Workshop on Latest Advances i...

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Proceedings of scala 2016: 7th workshop on latest advances in scalable algorithms for large-scale systems - Held in conjunction with SC16: the International Conference for High Performance Computing, Networking, Storage and Analysis 2016年 v-vi页

作者： Alexandrov, Vassil Geist, Al Dongarra, Jack

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Extremely scalable Algorithm for 108-atom Quantum Material Simulation on the Full System of the K Computer

Extremely Scalable Algorithm for 108-atom Quantum Material S...

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workshop on latest advances in scalable algorithms for large-scale systems (scala)

作者： Takeo Hoshi Hiroto Imachi Kiyoshi Kumahata Masaaki Terai Kengo Miyamoto Kazuo Minami Fumiyoshi Shoji Department of Applied Mathematics and Physics Tottori University Tottori Japan Operations and Computer Technologies Division RIKEN Advanced Institute for Computational Science Kobe Japan

ISBN: (纸本)9781509052233

关键词： Mathematical model Eigenvalues and eigenfunctions Indexes Sparse matrices Computers Atomic measurements Plastics

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Towards Fast scalable Solvers for Charge Equilibration in Molecular Dynamics Applications

Towards Fast Scalable Solvers for Charge Equilibration in Mo...

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workshop on latest advances in scalable algorithms for large-scale systems (scala)

作者： Kurt A. O'Hearn Hasan Metin Aktulga Department of Computer Science and Engineering Michigan State University East Lansing Michigan U.S.A

ISBN: (纸本)9781509052233

关键词： Computational modeling Convergence Force Linear systems Parallel processing Heuristic algorithms Memory architecture

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