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Development of a parallel matrix library for computational physics with high strong-scaling performance

Research Project

Project/Area Number 17H02828
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Research Field Computational science
Research InstitutionThe University of Electro-Communications

Principal Investigator

Yamamoto Yusaku  電気通信大学, 大学院情報理工学研究科, 教授 (20362288)

Co-Investigator(Kenkyū-buntansha) 横川 三津夫  神戸大学, 先端融合研究環, 教授 (70358307)
星 健夫  鳥取大学, 工学研究科, 准教授 (80272384)
Project Period (FY) 2017-04-01 – 2020-03-31
Project Status Completed (Fiscal Year 2021)
Budget Amount *help
¥13,130,000 (Direct Cost: ¥10,100,000、Indirect Cost: ¥3,030,000)
Fiscal Year 2019: ¥4,940,000 (Direct Cost: ¥3,800,000、Indirect Cost: ¥1,140,000)
Fiscal Year 2018: ¥3,510,000 (Direct Cost: ¥2,700,000、Indirect Cost: ¥810,000)
Fiscal Year 2017: ¥4,680,000 (Direct Cost: ¥3,600,000、Indirect Cost: ¥1,080,000)
Keywords固有値計算 / 連立1次方程式 / 並列化 / 電子状態計算 / プラズマシミュレーション / 連立1次方程式解法 / 行列計算 / 並列計算 / 強スケーリング / 計算物理
Outline of Final Research Achievements

In this study, we developed matrix solvers which are applicable to a wide range of computer physics applications, such as electronic structure calculation, plasma simulation and crack growth simulation. Our main targets are direct solvers for sparse and band matrices and generalized eigenvalue solvers for dense matrices. With the use of communication-avoiding algorithms and automatic code selection techniques, our solvers aim at achieving high strong-scaling performance. We applied our solvers to time-dependent simulation of organic polymeric materials and crack growth simulation and verified their performance.

Academic Significance and Societal Importance of the Research Achievements

従来の行列計算ライブラリは,プロセッサ数に比例して問題サイズを大きくする弱スケーリング条件下での性能を追求してきた.しかし,分子動力学やプラズマシミュレーションなど長時間の時間発展が必要な問題では,1ステップの計算時間を極力短縮するため,強スケーリング性能が重要である.本研究で開発した疎行列直接解法,一般固有値解法などの行列解法は,強スケーリング性能に重点を置いて設計されており,今後,計算物理分野での活用が期待される.

Report

(4 results)
  • 2021 Final Research Report ( PDF )
  • 2019 Annual Research Report
  • 2018 Annual Research Report
  • 2017 Annual Research Report
  • Research Products

    (54 results)

All 2022 2021 2020 2019 2018 2017 Other

All Int'l Joint Research (6 results) Journal Article (20 results) (of which Int'l Joint Research: 2 results,  Peer Reviewed: 17 results,  Open Access: 7 results) Presentation (23 results) (of which Int'l Joint Research: 10 results,  Invited: 4 results) Book (5 results)

  • [Int'l Joint Research] ザルツブルグ大学(オーストリア)

    • Related Report
      2019 Annual Research Report
  • [Int'l Joint Research] スロバキア国立科学アカデミー(スロバキア)

    • Related Report
      2019 Annual Research Report
  • [Int'l Joint Research] Salzburg University(オーストリア)

    • Related Report
      2018 Annual Research Report
  • [Int'l Joint Research] Slovak Academy of Sciences(スロバキア)

    • Related Report
      2018 Annual Research Report
  • [Int'l Joint Research] Salzburg University(Austria)

    • Related Report
      2017 Annual Research Report
  • [Int'l Joint Research] Slovak Academy of Sciences(Slovakia)

    • Related Report
      2017 Annual Research Report
  • [Journal Article] Performance prediction of massively parallel computation by Bayesian inference2022

    • Author(s)
      Kohashi Hisashi、Iwamoto Harumichi、Fukaya Takeshi、Yamamoto Yusaku、Hoshi Takeo
    • Journal Title

      JSIAM Letters

      Volume: 14 Issue: 0 Pages: 13-16

    • DOI

      10.14495/jsiaml.14.13

    • NAID

      130008164520

    • ISSN
      1883-0609, 1883-0617
    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Combinatorial preconditioning for accelerating the convergence of the parallel block Jacobi method for the symmetric eigenvalue problem2021

    • Author(s)
      Kugaya Masaki、Kudo Shuhei、Yamamoto Yusaku
    • Journal Title

      JSIAM Letters

      Volume: 13 Issue: 0 Pages: 56-59

    • DOI

      10.14495/jsiaml.13.56

    • NAID

      130008092825

    • ISSN
      1883-0609, 1883-0617
    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Acceleration and Parallelization of a Linear Equation Solver for Crack Growth Simulation Based on the Phase Field Model2021

    • Author(s)
      Ishii Gaku、Yamamoto Yusaku、Takaishi Takeshi
    • Journal Title

      Mathematics

      Volume: 9 Issue: 18 Pages: 2248-2248

    • DOI

      10.3390/math9182248

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] On eigenvalues of a matrix arising in energy-preserving/dissipative continuous-stage Runge-Kutta methods2021

    • Author(s)
      Yamamoto Yusaku
    • Journal Title

      Special Matrices

      Volume: 10 Issue: 1 Pages: 34-39

    • DOI

      10.1515/spma-2021-0101

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Asymptotic Quadratic Convergence of the Two-Sided Serial and Parallel Block-Jacobi SVD Algorithm2019

    • Author(s)
      Gabriel Oksa・Yusaku Yamamoto・Martin Becka・Marian Vajtersic
    • Journal Title

      SIAM Journal on Matrix Analysis and Applications

      Volume: to appear

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Efficient Implementations of the Modified Gram-Schmidt Orthogonalization with a Non-standard Inner Product2019

    • Author(s)
      Akira Imakura・Yusaku Yamamoto
    • Journal Title

      Japan Journal of Industrial and Applied Mathematics

      Volume: to appear

    • NAID

      210000183505

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] A Middleware for Parallel Generalized Eigenvalue Solvers to Attain High Scalability and Usability2019

    • Author(s)
      Kazuyuki Tanaka・Hiroto Imachi・Tomoya Fukumoto・Akiyoshi Kuwata・Yuki Harada・Takeshi Fukaya・Yusaku Yamamoto・Takeo Hoshi
    • Journal Title

      Japan Journal of Industrial and Applied Mathematics

      Volume: to appear

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] On using the shifted minimal residual method for quantum-mechanical wave packet simulation2019

    • Author(s)
      Hiroaki Seito・Takeo Hoshi・Yusaku Yamamoto
    • Journal Title

      JSIAM Letters

      Volume: 11 Issue: 0 Pages: 13-16

    • DOI

      10.14495/jsiaml.11.13

    • NAID

      130007607760

    • ISSN
      1883-0609, 1883-0617
    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] 荻田・相島の固有ベクトル反復改良法に基づく実対称行列の固有値分解追跡手法2019

    • Author(s)
      白間久瑠美・工藤周平・山本有作
    • Journal Title

      日本応用数理学会論文誌

      Volume: 29 Pages: 78-120

    • NAID

      130007618979

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Numerical aspect of large-scale electronic state calculation for flexible device material2019

    • Author(s)
      Takeo Hoshi, Hiroto Imachi, Akiyoshi Kuwata, Kohsuke Kakuda, Takatoshi Fujita, Hiroyuki Matsui
    • Journal Title

      Japan Journal of Industrial and Applied Mathematics

      Volume: to appear

    • NAID

      210000172726

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Asymptotic Quadratic Convergence of the Parallel Block-Jacobi EVD Algorithm with Dynamic Ordering for Hermitian Matrices2018

    • Author(s)
      Gabriel Oksa・Yusaku Yamamoto・Martin Becka・Marian Vajtersic
    • Journal Title

      BIT Numerical Mathematics

      Volume: 58 Issue: 4 Pages: 1099-1123

    • DOI

      10.1007/s10543-018-0711-3

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Performance of the parallel block Jacobi method with dynamic ordering for the symmetric eigenvalue problem2018

    • Author(s)
      Shuhei Kudo, Kousuke Yasuda and Yusaku Yamamoto
    • Journal Title

      JSIAM Letters

      Volume: 10 Issue: 0 Pages: 41-44

    • DOI

      10.14495/jsiaml.10.41

    • NAID

      130007432998

    • ISSN
      1883-0609, 1883-0617
    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Solution of the k -th eigenvalue problem in large-scale electronic structure calculations2018

    • Author(s)
      Lee Dongjin、Hoshi Takeo、Sogabe Tomohiro、Miyatake Yuto、Zhang Shao-Liang
    • Journal Title

      Journal of Computational Physics

      Volume: 371 Pages: 618-632

    • DOI

      10.1016/j.jcp.2018.06.002

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] 建物の地震動応答シミュレーションに現れ る前処理付き共役勾配法の並列化2018

    • Author(s)
      後藤啓,横川三津夫,坂敏秀
    • Journal Title

      情報処理学会研究報告

      Volume: 2018-HPC-167 Pages: 1-5

    • Related Report
      2018 Annual Research Report
  • [Journal Article] 緩和型スーパーノードマルチ フロンタル法の最適な緩和パラメータについて2018

    • Author(s)
      中野智輝,横川三津夫,深谷猛,山本有作
    • Journal Title

      情報処理学会研究報告

      Volume: 2018-HPC-167 Pages: 1-8

    • Related Report
      2018 Annual Research Report
  • [Journal Article] Solution of a Nonlinear Eigenvalue Problem Using Signed Singular Values2018

    • Author(s)
      Ooi Kouhei、Mizuno Yoshinori、Sogabe Tomohiro、Yamamoto Yusaku、Zhang Shao-Liang
    • Journal Title

      East Asian J. Appl. Math.

      Volume: 7 Issue: 4 Pages: 799-809

    • DOI

      10.4208/eajam.181016.300517c

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] On the optimality and sharpness of Laguerre's lower bound on the smallest eigenvalue of a symmetric positive definite matrix2017

    • Author(s)
      Yusaku Yamamoto
    • Journal Title

      Appl. Math.

      Volume: 62 Issue: 4 Pages: 319-331

    • DOI

      10.21136/am.2017.0022-17

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] The danger of combining block red?black ordering with modified incomplete factorizations and its remedy by perturbation or relaxation2017

    • Author(s)
      Shioya Akemi、Yamamoto Yusaku
    • Journal Title

      Japan J. Indust. Appl. Math.

      Volume: 35 Issue: 1 Pages: 195-216

    • DOI

      10.1007/s13160-017-0277-5

    • NAID

      210000166851

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] On using the Cholesky QR method in the full-blocked one-sided Jacobi algorithm2017

    • Author(s)
      Shuhei Kudo and Yusaku Yamamoto
    • Journal Title

      Lecture Notes in Compu. Sci.

      Volume: 10777 Pages: 612-622

    • DOI

      10.1007/978-3-319-78024-5_53

    • ISBN
      9783319780238, 9783319780245
    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] One-way dissectionオーダリングによる連立一次方程式の直接解法の並列化2017

    • Author(s)
      中野智輝, 横川三津夫, 深谷猛, 山本有作
    • Journal Title

      情報処理学会研究報告ハイパフォーマンスコンピューティング(HPC)

      Volume: 2017-HPC-162 Pages: 1-10

    • Related Report
      2017 Annual Research Report
  • [Presentation] Mobility and Eigenvalue/Singular Value Problems: Applications and Numerical Computation2022

    • Author(s)
      Yusaku Yamamoto
    • Organizer
      Mobility Workshop 2022 in Shizuoka: Mathematical Approaches to Mobility Problems
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] テイラー展開に基づく行列指数関数計算の誤差解析2021

    • Author(s)
      山本有作, 工藤周平, 星健夫
    • Organizer
      日本応用数理学会「行列・固有値問題の解法とその応用」研究部会 第31回研究会
    • Related Report
      2019 Annual Research Report
  • [Presentation] ブロック赤黒順序付けされた摂動付き修正不完全分解前処理の収束性解析2021

    • Author(s)
      塩谷明美, 山本有作
    • Organizer
      日本応用数理学会2020年度年会
    • Related Report
      2019 Annual Research Report
  • [Presentation] 離散相対論的戸田方程式から導かれる交通流モデル2021

    • Author(s)
      関口真基, 岩崎雅史, 山本有作, 石渡恵美子
    • Organizer
      日本応用数理学会2020年度年会
    • Related Report
      2019 Annual Research Report
  • [Presentation] 原点シフト付きロトカ・ボルテラ系に対する超離散化から得られる箱玉系の性質について2021

    • Author(s)
      岡来美, 関口真基, 岩﨑雅史, 山本有作, 石渡恵美子
    • Organizer
      日本応用数理学会2020年度年会
    • Related Report
      2019 Annual Research Report
  • [Presentation] ベイズ推定による超並列計算の性能予測2021

    • Author(s)
      星健夫, 小橋恒士, 山本有作, 深谷猛
    • Organizer
      日本応用数理学会2020年度年会
    • Related Report
      2019 Annual Research Report
  • [Presentation] ブロック赤黒順序付けを用いた摂動付きMIC(0)分解のモデル問題による収束性解析2021

    • Author(s)
      塩谷明美,山本有作
    • Organizer
      日本応用数理学会「行列・固有値問題の解法とその応用」研究部会 第32回研究会
    • Related Report
      2019 Annual Research Report
  • [Presentation] 選択的中間固有対計算と有機デバイス材料への応用2019

    • Author(s)
      星健夫, 李東珍, 桑田亨成, 角田皓亮, 曽我部知広, 張 紹良
    • Organizer
      応用数理学会 2019年研究部会連合発表会
    • Related Report
      2018 Annual Research Report
  • [Presentation] エネルギー保存型並列解法MB4に基づく2次元量子ダイナミクス計算2018

    • Author(s)
      酒井翼・藤周平・井町宏人・宮武勇登・星健夫・山本有作
    • Organizer
      第47回数値解析シンポジウム
    • Related Report
      2018 Annual Research Report
  • [Presentation] Application of an Energy-preserving Integrator to Quantum-mechanical Wavepacket Dynamics2018

    • Author(s)
      Yusaku Yamamoto・Tsubasa Sakai・Shuhei Kudo・Hiroto Imachi・Yuto Miyatake・Takeo Hoshi
    • Organizer
      13th SIAM East Asian Section Conference 2018
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 荻田・相島の固有ベクトル反復改良法における重複固有値の扱いについて2018

    • Author(s)
      白間久瑠美・工藤周平・山本有作
    • Organizer
      応用数理学会2018年度年会
    • Related Report
      2018 Annual Research Report
  • [Presentation] Orthogonalization Algorithms and Dense Symmetric Eigenvalue Solvers Optimized for Strong Scaling2018

    • Author(s)
      Yusaku Yamamoto
    • Organizer
      International Symposium on Research and Education of Computational Science (RECS2018)
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 荻田・相島の固有ベクトル反復改良法に基づく実対称行列の固有値分解追跡手法2018

    • Author(s)
      山本有作
    • Organizer
      RIMS共同研究(公開型)「次世代の科学技術を支える数値解析学の基盤整備と応用展開」
    • Related Report
      2018 Annual Research Report
  • [Presentation] HPC challenge in material science2018

    • Author(s)
      Takeo Hoshi
    • Organizer
      International HPC Summer School 2018
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Organic device material research by the combination of large-scale massively-parallel electronic state calculation and data-driven science2018

    • Author(s)
      Takeo Hoshi
    • Organizer
      Symposium on Materials Genome Towards Exascale
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Block Red-Black Milu(0) Preconditioner with Relaxation on GPU2018

    • Author(s)
      Akemi Shioya and Yusaku Yamamoto
    • Organizer
      18th SIAM Conference on Parallel Processing for Scientific Computing
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Oakforest-PACSにおける一般化固有値計算の性能解析と性能予測2018

    • Author(s)
      星健夫, 福本智哉, 深谷猛, 山本 有作
    • Organizer
      日本応用数理学会 2018年 研究部会連合発表会
    • Related Report
      2017 Annual Research Report
  • [Presentation] Analysis and prediction of the performance in generalized eigenvalue solvers on Oakforest-PACS2018

    • Author(s)
      Takeo Hoshi, Tomoya Fukumoto, Takeshi Fukaya and Yusaku Yamamoto
    • Organizer
      International Workshop on Eigenvalue Problems: Algorithms; Software and Applications, in Petascale Computing (EPASA2018)
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Roundoff error analysis of the CholeskyQR2 and related algorithms2017

    • Author(s)
      Yusaku Yamamoto
    • Organizer
      PARNUM2017
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] ブロック赤-黒順序付けされた摂動/緩和MILU(0) 前処理法のGPUとマルチコアCPUにおける性能評価2017

    • Author(s)
      塩谷明美,山本有作
    • Organizer
      SWoPP 2017
    • Related Report
      2017 Annual Research Report
  • [Presentation] On using the Cholesky QR method in the full-blocked one-sided Jacobi algorithm2017

    • Author(s)
      Shuhei Kudo and Yusaku Yamamoto
    • Organizer
      PPAM2017
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 虚数シフトを行った実対称行列のための COCG法と一般化MINRES法の性能比較2017

    • Author(s)
      清藤 博暉, 山本 有作
    • Organizer
      日本応用数理学会「行列・固有値問題 の解法とその応用」研究部会 第24回研究会
    • Related Report
      2017 Annual Research Report
  • [Presentation] A parallel solver for a linear system with symetric sparse matrix by one-dissection ordering2017

    • Author(s)
      M. Yokokawa, T. Nakano, T. Fukaya and Y. Yamamoto
    • Organizer
      Workbench on Sustained Simulation Performance (WSSP)
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Book] 20世紀のトップ10アルゴリズム2022

    • Author(s)
      金田 行雄、笹井 理生、張 紹良
    • Total Pages
      360
    • Publisher
      共立出版
    • ISBN
      9784320122673
    • Related Report
      2019 Annual Research Report
  • [Book] 理工系の数理 ベクトル解析2020

    • Author(s)
      山本 有作、石原 卓
    • Total Pages
      182
    • Publisher
      裳華房
    • ISBN
      9784785315894
    • Related Report
      2019 Annual Research Report
  • [Book] 計算科学のための基本数理アルゴリズム2019

    • Author(s)
      金田 行雄、笹井 理生、張 紹良
    • Total Pages
      256
    • Publisher
      共立出版
    • ISBN
      9784320122666
    • Related Report
      2019 Annual Research Report
  • [Book] Numerical methods for large scale electronic state calculation on supercomputer, in '21st Century Nanoscience - A Handbook' (K. Sattler, Ed.)2019

    • Author(s)
      Takeo Hoshi, Yusaku Yamamoto, Tomohiro Sogabe, Kohei Shimamura, Fuyuki Shimojo, Aiichiro Nakano, Rajiv Kalia, Priya Vashishta
    • Publisher
      Taylor&Francis (CRC Press)
    • Related Report
      2018 Annual Research Report
  • [Book] Eigenvalue Problems: Algorithms, Software and Applications in Petascale Computing2018

    • Author(s)
      Yusaku Yamamoto
    • Publisher
      Springer
    • ISBN
      9783319624266
    • Related Report
      2017 Annual Research Report

URL: 

Published: 2017-04-28   Modified: 2023-01-30  

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