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2011 Fiscal Year Final Research Report

Development and Application of a Method for Generalized Eigenvalue

Research Project

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Project/Area Number 21246018
Research Category

Grant-in-Aid for Scientific Research (A)

Allocation TypeSingle-year Grants
Section一般
Research Field Engineering fundamentals
Research InstitutionUniversity of Tsukuba

Principal Investigator

SAKURAI Tetsuya  筑波大学, システム情報系, 教授 (60187086)

Co-Investigator(Kenkyū-buntansha) KITAGAWA Takashi  筑波大学, システム情報系, 教授 (60153095)
TADANO Hiroto  筑波大学, システム情報系, 助教 (50507845)
SASAKI Tateaki  筑波大学, 名誉教授 (80087436)
NAGASHIMA Unpei  独立法人産業技術総合研究所, ナノシステム研究部門, 主幹研究員 (90164417)
IKEGAMI Tsutomu  独立法人産業技術総合研究所, 情報技術研究部門, 主任研究員 (80245612)
TACHIKAWA Masanori  横浜市立大学, 生命ナノシステム科学研究科, 教授 (00267410)
Project Period (FY) 2009 – 2011
Keywordsシミュレーション工学 / 固有値解析 / 基盤ソフトウェア
Research Abstract

In this research, we have developed a parallel method for solving interior generalized eigenvalue problems that appear in large-scale simulations in next generation computing environment. The software package is implemented based on the developed method, and the performance of the software is improved with application for several problems.

  • Research Products

    (57 results)

All 2012 2011 2010 2009 Other

All Journal Article (20 results) (of which Peer Reviewed: 20 results) Presentation (37 results)

  • [Journal Article] Stochastic estimation method of eigenvalue density for nonlinear eigenvalue problem on the complex plane2011

    • Author(s)
      Y. Maeda, Y. Futamura, T. Sakurai
    • Journal Title

      JSIAM Letters

      Volume: Vol. 3 Pages: 61-64

    • Peer Reviewed
  • [Journal Article] Contour integral eigensolver for non-Hermitian systems : a Rayleigh-Ritz-type approach2010

    • Author(s)
      T. Ikegami, T. Sakurai
    • Journal Title

      Taiwanese J. Math

      Volume: Vol. 14 Pages: 825-837

    • Peer Reviewed
  • [Journal Article] A method for profiling the distribution of eigenvalues using the AS method2010

    • Author(s)
      K. Senzaki, H. Tadano, T. Sakurai, Z. Bai
    • Journal Title

      Taiwanese J. Math

      Volume: Vol. 14 Pages: 839-853

    • Peer Reviewed
  • [Journal Article] A parallel eigensolver using contour integration for generalized eigenvalue problems in molecular simulation2010

    • Author(s)
      T. Sakurai, H. Tadano, T. Ikegami, U. Nagashima
    • Journal Title

      Taiwanese J. Math

      Volume: Vol.14 Pages: 855-867

    • Peer Reviewed
  • [Journal Article] Parallel stochastic estimation method of eigenvalue distribution2010

    • Author(s)
      Y. Futamura, H. Tadano, T. Sakurai
    • Journal Title

      JSIAM Letters

      Volume: Vol.2 Pages: 127-130

    • Peer Reviewed
  • [Journal Article] Filter diagonalization of shell-model calculations2010

    • Author(s)
      T. Mizusaki, K. Kaneko, M. Honma, T. Sakurai
    • Journal Title

      Phys. Rev. C

      Volume: Vol. 82 Pages: 10

    • Peer Reviewed
  • [Journal Article] A quadrature-based eigensolver with a Krylov subspace method for shifted linear systems for Hermitian eigenproblems in lattice QCD2010

    • Author(s)
      H. Ohno, Y. Kuramashi, H. Tadano, T. Sakurai
    • Journal Title

      JSIAM Letters

      Volume: Vol.2 Pages: 115-118

    • Peer Reviewed
  • [Journal Article] A block sparse approximate inverse with cutoff preconditioner for semi-sparse linear systems derived from Molecular Orbital calculations2010

    • Author(s)
      I. Yamazaki, M. Okada, H. Tadano, T. Sakurai, K. Teranishi
    • Journal Title

      JSIAM Letters

      Volume: Vol.2 Pages: 41-44

    • Peer Reviewed
  • [Journal Article] Application of block Krylov subspace algorithms to the Wilson-Dirac equation with multiple right-hand sides in lattice QCD2010

    • Author(s)
      T. Sakurai, H. Tadano, Y. Kuramashi
    • Journal Title

      Comput. Phys. Commun

      Volume: Vol.81 Pages: 113-117

    • Peer Reviewed
  • [Journal Article] Parallel Fock matrix construction with distributed shared memory model for the FMO-MO method2010

    • Author(s)
      H. Umeda, Y. Inadomi, T. Watanabe, T. Uagi, T. Ishimoto, T. Ikegami, H. Tadano, T. Sakurai, U. Nagashima
    • Journal Title

      J. Comput. Chem

      Volume: Vol.31 Pages: 2381-2388

    • Peer Reviewed
  • [Journal Article] A numerical method for polynomial eigenvalue problems using contour integral2010

    • Author(s)
      J. Asakura, T. Sakurai, H. Tadano, T. Ikegami, K. Kimura
    • Journal Title

      Japan J. Indust. Appl. Math

      Volume: Vol.27 Pages: 73-90

    • Peer Reviewed
  • [Journal Article] Application of preconditioned block BiCGGR to the Wilson-Dirac equation with multiple right-hand sides in lattice QCD2010

    • Author(s)
      H. Tadano, Y. Kuramashi, T. Sakurai
    • Journal Title

      Comput. Phys. Commun

      Volume: Vol.181 Pages: 883-886

    • Peer Reviewed
  • [Journal Article] A filter diagonalization for generalized eigenvalue problems based on the Sakurai-Sugiura projection method2010

    • Author(s)
      T. Ikegami, T. Sakurai, U. Nagashima
    • Journal Title

      J. Comput, Appl. Math

      Volume: Vol.233 Pages: 1927-1936

    • Peer Reviewed
  • [Journal Article] Error analysis for a matrix pencil of Hankel matrices with perturbed complex moments2009

    • Author(s)
      T. Sakurai, J. Asakura, H. Tadano, T. Ikegami
    • Journal Title

      JSIAM Letters

      Volume: Vol.1 Pages: 76-79

    • Peer Reviewed
  • [Journal Article] A numerical method for nonlinear eigenvalue problems using contour integrals2009

    • Author(s)
      J. Asakura, T. Sakurai, H. Tadano, T. Ikegami, K. Kimura
    • Journal Title

      JSIAM Letters

      Volume: Vol.1 Pages: 52-55

    • Peer Reviewed
  • [Journal Article] 周回積分法に対するBlock Krylov部分空間反復法の適用と分子軌道計算への応用2009

    • Author(s)
      多田野寛人, 櫻井鉄也
    • Journal Title

      情報処理学会論文誌コンピューティングシステム

      Volume: Vol.2 Pages: 10-18

    • Peer Reviewed
  • [Journal Article] 非線形固有値問題の固有値密度推定法における適応的並列アルゴリズム

    • Author(s)
      山本和磨, 前田恭行, 二村保徳, 櫻井鉄也
    • Journal Title

      情報処理学会ACS論文誌

    • Peer Reviewed
  • [Journal Article] Efficient algorithm for linear systems arising in solutions of eigenproblems and its application to electronic-structure calculations

    • Author(s)
      Y. Futamura, T. Sakurai, S. Furuya, J.-I. Iwata
    • Journal Title

      Proc.10th International Meeting on High-Performance Computing for Computational Science

    • Peer Reviewed
  • [Journal Article] Performance comparison of parallel eigensolvers based on a contour integral method and a Lanczos method

    • Author(s)
      I. Yamazaki, T. Ikegami, H. Tadano, T. Sakurai
    • Journal Title

      Parallel Computing

    • Peer Reviewed
  • [Journal Article] Systematic theoretical investigation of positron-binding to amino acid molecules with ab initio multi-component molecular orbital approach

    • Author(s)
      K. Koyanagi, Y. Kita, M. Tachikawa
    • Journal Title

      Eur. Phys. J. D

    • Peer Reviewed
  • [Presentation] A complex moment based parallel sparse eigenvalue solver package2012

    • Author(s)
      T. Sakurai, z-Pares
    • Organizer
      International Workshop on Computational Science and Numerical Analysis
    • Place of Presentation
      Building W-9, 3F AV Hall, The University of Electro-Communications, Tokyo, Japan
    • Year and Date
      2012-04-25
  • [Presentation] Bound states of positron with nitrile species with several multi-component molecular theories2012

    • Author(s)
      M. Tachikawa
    • Organizer
      International Workshop on Positrons in Astrophysics
    • Place of Presentation
      Murren, Switzerland
    • Year and Date
      2012-04-20
  • [Presentation] Stochastic Estimation Method of Eigenvalue Density for Nonlinear Eigenvalue Problems on the Complex Plane2012

    • Author(s)
      Y. Maeda
    • Organizer
      SIAM Conference on Parallel Processing for Scientific Computing
    • Place of Presentation
      Hyatt Regency Savannah, Georgia, USA
    • Year and Date
      2012-02-15
  • [Presentation] Scalable Parallel Software for Large-Scale Nonlinear Eigenvalue Problems on Petsc/Trilinos2012

    • Author(s)
      K. Yamamoto
    • Organizer
      SIAM Conference on Parallel Processing for Scientific Computing
    • Place of Presentation
      Hyatt Regency Savannah, Georgia, USA
    • Year and Date
      2012-02-15
  • [Presentation] A Modified Block IDR(s) Method for Computing High Accuracy Solutions2012

    • Author(s)
      M. Naito
    • Organizer
      SIAM Conference on Parallel Processing for Scientific Computing
    • Place of Presentation
      Hyatt Regency Savannah, Georgia, USA
    • Year and Date
      2012-02-15
  • [Presentation] Efficient Algorithm for Linear Systems Arising in Solutions of Eigenproblems and Its Application to Electronic-Structure Calculations2012

    • Author(s)
      Y. Futamura
    • Organizer
      SIAM Conference on Parallel Processing for Scientific Computing
    • Place of Presentation
      Hyatt Regency Savannah, Georgia, USA
    • Year and Date
      2012-02-15
  • [Presentation] 非線形固有値問題の固有値密度推定法における適応的並列アルゴリズム2012

    • Author(s)
      山本和磨
    • Organizer
      2012年ハイパフォーマンスコンピューティングと計算科学シンポジウム
    • Place of Presentation
      愛知県名古屋大学豊田講堂シンポジオンホール
    • Year and Date
      2012-01-26
  • [Presentation] 超大規模並列環境における大規模疎行列に対する固有値解法と線形計算技術の開発2012

    • Author(s)
      多田野寛人
    • Organizer
      2012年ハイパフォーマンスコンピューティングと計算科学シンポジウム
    • Place of Presentation
      愛知県名古屋大学豊田講堂シンポジオンホール
    • Year and Date
      2012-01-25
  • [Presentation] 大規模並列環境向けの固有値解析ソフトウエア開発2011

    • Author(s)
      櫻井鉄也
    • Organizer
      第3回自動チューニング技術の現状と応用に関するシンポジウム
    • Place of Presentation
      東京都東京大学小柴ホール
    • Year and Date
      2011-12-05
  • [Presentation] 耐障害性を考慮した大規模並列環境向けの固有値解法2011

    • Author(s)
      櫻井鉄也
    • Organizer
      RIMS研究集会「科学技術計算における理論と応用の新展開」
    • Place of Presentation
      京都府京都大学数理解析研究所
    • Year and Date
      2011-10-26
  • [Presentation] 次世代スーパーコンピュータの性能を引き出す計算アルゴリズムデザイン2011

    • Author(s)
      櫻井鉄也
    • Organizer
      コンピュータサイエンス特別シンポジウム「数値解析ソフトウェアの発祥と発展.研究と教育への応用」
    • Place of Presentation
      茨城県筑波大学筑波キャンパス
    • Year and Date
      2011-10-20
  • [Presentation] 非線形固有値問題における複素平面上での大域的固有値分布推定2011

    • Author(s)
      前田恭行
    • Organizer
      日本応用数理学会2011年度年会
    • Place of Presentation
      京都府同志社大学今出川キャンパス
    • Year and Date
      2011-09-15
  • [Presentation] 非線形固有値問題に対するTDS Arnoldi-SSハイブリッド解法2011

    • Author(s)
      古庄茉紀
    • Organizer
      日本応用数理学会2011年度年会
    • Place of Presentation
      京都府同志社大学今出川キャンパス
    • Year and Date
      2011-09-14
  • [Presentation] IDR(s)法における残差停滞の回避方法について2011

    • Author(s)
      内藤理大
    • Organizer
      2011年並列/分散/協調処理に関する『鹿児島』サマー・ワークショップ
    • Place of Presentation
      鹿児島県かごしま県民交流センター
    • Year and Date
      2011-07-27
  • [Presentation] 大規模固有値問題の並列解法とその応用2011

    • Author(s)
      櫻井鉄也
    • Organizer
      HPCI戦略プログラム分野2×分野5異分野交流研究会
    • Place of Presentation
      茨城県筑波大学筑波キャンパス
    • Year and Date
      2011-07-26
  • [Presentation] Scilab for mathematical education and high performance computing2011

    • Author(s)
      T. Sakurai
    • Organizer
      European pole of competence in high performance simulation TERATEC2011
    • Place of Presentation
      Ecole Polytechnique, Palaiseau, France
    • Year and Date
      2011-06-29
  • [Presentation] A Memory Saving Technique for a Resolvent Based Sparse Eigensolver2011

    • Author(s)
      Y. Futamura
    • Organizer
      Scalable Eigensolver for Electronic Structure Calculations on Hierarchical Parallel Computers, The 7th International Congress on Industrial and Applied Mathematics
    • Place of Presentation
      Vancouver, BC, Canada
    • Year and Date
      2011-06-19
  • [Presentation] An interpolatory parallel method for large-scale nonlinear eigenvalue problems2011

    • Author(s)
      T. Sakurai
    • Organizer
      2011 SIAM Conference on Computational Science and Engineering
    • Place of Presentation
      Reno, Nevada, USA
    • Year and Date
      2011-03-04
  • [Presentation] 大規模疎行列に対する補間型固有値解法2010

    • Author(s)
      櫻井鉄也
    • Organizer
      科学技術計算アルゴリズムの数理的基盤と展開
    • Place of Presentation
      京都府京都大学数理解析研究所
    • Year and Date
      2010-10-20
  • [Presentation] 近似解の精度劣化を回避するBlock積型Krylov部分空間反復法について2010

    • Author(s)
      多田野寛人
    • Organizer
      日本応用数理学会2010年度年会
    • Place of Presentation
      東京都明治大学駿河台キャンパス
    • Year and Date
      2010-09-06
  • [Presentation] 独立並列計算による行列固有値分布の確率的推定法2010

    • Author(s)
      二村保徳
    • Organizer
      並列/分散/協調処理に関するサマー・ワークショップ
    • Place of Presentation
      石川県金沢市文化ホール
    • Year and Date
      2010-08-05
  • [Presentation] A hierarchical parallel eigenvalue solver : parallelism on top of multicore linear solvers2010

    • Author(s)
      T. Sakurai
    • Organizer
      6th International Workshop on Parallel Matrix Algorithms and Applications
    • Place of Presentation
      Basel, Switzerland
    • Year and Date
      2010-07-01
  • [Presentation] Parallel stochastic estimation method for matrix eigenvalue distribution2010

    • Author(s)
      Y. Futamura
    • Organizer
      6th International Workshop on Parallel Matrix Algorithms and Applications
    • Place of Presentation
      Basel, Switzerland
    • Year and Date
      2010-07-01
  • [Presentation] Performance evaluation of the BSAIC preconditioner2010

    • Author(s)
      I. Yamazaki
    • Organizer
      Parallel Matrix Algorithms and Applications 2010
    • Place of Presentation
      Basel, Switzerland
    • Year and Date
      2010-06-30
  • [Presentation] A hierarchical parallel eigenvalue solver for nonlinear eigenvalue problems2010

    • Author(s)
      T. Sakurai
    • Organizer
      2nd International Workshops on Advances in Computational Mechanics
    • Place of Presentation
      Pacifico Yokohama (Conference Center), Kanagawa
    • Year and Date
      2010-03-30
  • [Presentation] Scalable eigensolver for electronic structure calculations on hierarchical parallel computers2010

    • Author(s)
      Y. Futamura
    • Organizer
      Parallel Processing for Scientific Computing
    • Place of Presentation
      Seattle, Washington, USA
    • Year and Date
      2010-02-25
  • [Presentation] A comparative study of parallel generalized eigenvalue solvers with an application to accelerator cavity design2010

    • Author(s)
      T. Sakurai
    • Organizer
      SIAM Conference on Parallel Processing for Scientific Computing
    • Place of Presentation
      Seattle, Washington, USA
    • Year and Date
      2010-02-25
  • [Presentation] A contour integral bases method for nonlinear eigenvalue problems2009

    • Author(s)
      T. Sakurai
    • Organizer
      International Symposium of Electronic Structure Calculations
    • Place of Presentation
      Yayoi Auditorium, Ichijo Hall, University of Tokyo, Tokyo
    • Year and Date
      2009-12-08
  • [Presentation] An application of an eigensolver with shifted linear systems to eigenproblems in lattice QCD2009

    • Author(s)
      H. Ohno
    • Organizer
      International Symposium of Electronic Structure Calculations
    • Place of Presentation
      Yayoi Auditorium, Ichijo Hall, University of Tokyo, Tokyo
    • Year and Date
      2009-12-07
  • [Presentation] A hierarchical parallel eigensolver for large-scale scientific computing2009

    • Author(s)
      T. Sakurai
    • Organizer
      International Symposium of Electronic Structure Calculations
    • Place of Presentation
      Yayoi Auditorium, Ichijo Hall, University of Tokyo, Tokyo
    • Year and Date
      2009-12-07
  • [Presentation] Scalable parallel algorithm for electronic structure calculations by band localization2009

    • Author(s)
      Y. Futamura
    • Organizer
      International Symposium of Electronic Structure Calculations
    • Place of Presentation
      Yayoi Auditorium, Ichijo Hall, University of Tokyo, Tokyo
    • Year and Date
      2009-12-07
  • [Presentation] A hierarchical parallel method for solving nonlinear eigenvalue problems2009

    • Author(s)
      T. Sakurai
    • Organizer
      SIAM Conference on Applied Linear Algebra 2009
    • Place of Presentation
      Monterey, California, USA
    • Year and Date
      2009-10-28
  • [Presentation] バンド局所化による電子状態計算の高性能並列アルゴリズム2009

    • Author(s)
      二村保徳
    • Organizer
      日本応用数理学会2009年度年会
    • Place of Presentation
      大阪府大阪大学豊中キャンパス
    • Year and Date
      2009-09-28
  • [Presentation] Spectral Projectorに基づく非線形固有値問題の解法2009

    • Author(s)
      櫻井鉄也
    • Organizer
      日本応用数理学会2009年度年会
    • Place of Presentation
      大阪府大阪大学豊中キャンパス
    • Year and Date
      2009-09-28
  • [Presentation] A Block Approximate Inverse With Cutoff Preconditioner for Semi-Sparse Linear Systems2009

    • Author(s)
      I. Yamazaki
    • Organizer
      International Conference on Preconditioning Techniques for Scientific and Industrial Applications
    • Place of Presentation
      Hong Kong, China
    • Year and Date
      2009-09-25
  • [Presentation] A method for finding zeros of polynomial equations using a contour integral based eigensolver2009

    • Author(s)
      T. Sakurai
    • Organizer
      Symbolic Numeric Computation 2009
    • Place of Presentation
      CO-OP Inn Kyoto, Kyoto
    • Year and Date
      2009-09-04
  • [Presentation] 大規模計算における数値アルゴリズムの貢献2009

    • Author(s)
      櫻井鉄也
    • Organizer
      第58回理論応用力学講演会
    • Place of Presentation
      東京都日本学術会議
    • Year and Date
      2009-06-09

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Published: 2013-07-31  

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