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High perfoemance computing for quamtum many-body problem using accelerators

Research Project

Project/Area Number 15K00178
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Research Field High performance computing
Research InstitutionJapan Atomic Energy Agency

Principal Investigator

Yamada Susumu  国立研究開発法人日本原子力研究開発機構, システム計算科学センター, 研究主幹 (80360436)

Co-Investigator(Kenkyū-buntansha) 大橋 洋士  慶應義塾大学, 理工学部(矢上), 教授 (60272134)
町田 昌彦  国立研究開発法人日本原子力研究開発機構, システム計算科学センター, 研究主席 (60360434)
太田 幸宏  国立研究開発法人日本原子力研究開発機構, システム計算科学センター, 研究員 (60386597)
永井 佑紀  国立研究開発法人日本原子力研究開発機構, システム計算科学センター, 研究職 (20587026)
Project Period (FY) 2015-10-21 – 2018-03-31
Project Status Completed (Fiscal Year 2017)
Budget Amount *help
¥4,420,000 (Direct Cost: ¥3,400,000、Indirect Cost: ¥1,020,000)
Fiscal Year 2017: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2016: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
Fiscal Year 2015: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Keywords高性能計算 / アクセラレータ / 固有値計算 / 大規模並列計算 / 量子計算 / 次世代計算機 / 量子多体モデル / 並列計算 / 高速化 / 量子問題 / 固有値 / GPU / エクサスケール計算機
Outline of Final Research Achievements

In this research, we have studied high performance eigenvalue solver for quantum many-body problem on parallel computers using accelerators. We have proposed the calculation strategy suitable for GPUs and the communication avoiding method in considering the physical property. And then, we discussed accumulation of round-off and truncation errors and a precision issue in large simulations requiring a great number of calculations, and we developed the high-performance quadruple precision library to avoid this issue. Moreover, we simulated the quantum many-body problems using our proposed solvers and discussed the property of the problem by using the simulation results.

Report

(4 results)
  • 2017 Annual Research Report   Final Research Report ( PDF )
  • 2016 Research-status Report
  • 2015 Research-status Report
  • Research Products

    (23 results)

All 2018 2017 2016

All Journal Article (8 results) (of which Int'l Joint Research: 2 results,  Peer Reviewed: 8 results,  Open Access: 2 results,  Acknowledgement Compliant: 2 results) Presentation (15 results) (of which Int'l Joint Research: 9 results,  Invited: 3 results)

  • [Journal Article] cover Communication Avoiding Neumann Expansion Preconditioner for LOBPCG Method: Convergence Property of Exact Diagonalization Method for Hubbard Model2018

    • Author(s)
      Yamada Susumu、Imamura Toshiyuki、Machida Masahiko
    • Journal Title

      Advances in Parallel Computing

      Volume: 32 Pages: 27-36

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] High Performance LOBPCG Method for Solving Multiple Eigenvalues of Hubbard Model: Efficiency of Communication Avoiding Neumann Expansion Preconditioner2018

    • Author(s)
      Yamada Susumu、Imamura Toshiyuki、Machida Masahiko
    • Journal Title

      Lecture Notes in Computer Science

      Volume: 10776 Pages: 243-256

    • DOI

      10.1007/978-3-319-69953-0_14

    • ISBN
      9783319699523, 9783319699530
    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Quadruple-precision BLAS using Bailey's arithmetic with FMA instruction: its performance and applications2017

    • Author(s)
      Susumu Yamada, Takuya Ina, Narimasa Sasa, Yasuhiro Idomura, Masahiko Machida, Toshiyuki Imamura
    • Journal Title

      Parallel and Distributed Processing Symposium Workshops (IPDPSW), 2017 IEEE International

      Volume: 2017 Pages: 1418-1425

    • DOI

      10.1109/ipdpsw.2017.42

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Time-reversal symmetry breaking and gapped surface states due to spontaneous emergence of new order in d-wave nanoislands2017

    • Author(s)
      Nagai Yuki、Ota Yukihiro、Tanaka K.
    • Journal Title

      Physical Review B

      Volume: 96 Issue: 6

    • DOI

      10.1103/physrevb.96.060503

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Self-learning Monte Carlo method: Continuous-time algorithm2017

    • Author(s)
      Nagai Yuki、Shen Huitao、Qi Yang、Liu Junwei、Fu Liang
    • Journal Title

      Physical Review B

      Volume: 96 Issue: 16

    • DOI

      10.1103/physrevb.96.161102

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Reduced-Shifted Conjugate-Gradient Method for a Green’s Function: Efficient Numerical Approach in a Nano-Structured Superconductor2017

    • Author(s)
      Yuki Nagai, Yasushi Shinohara, Yasunori Futamura, and Tetsuya Sakurai
    • Journal Title

      Journal of the Physical Society of Japan

      Volume: 86 Issue: 1 Pages: 014708-014708

    • DOI

      10.7566/jpsj.86.014708

    • NAID

      40021057702

    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] High-performance Eigenvalue Solver in Exact-diagonalization Method for Hubbard model on CUDA GPU2016

    • Author(s)
      Susumu Yamada, Toshiyuki Imamura, Masahiko Machida
    • Journal Title

      Parallel Computing: On the Road to Exascale

      Volume: 27 Pages: 361-369

    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Superconductivity in repulsively interacting fermions on a diamond chain --- flat-band induced pairing2016

    • Author(s)
      Keita Kobayashi, Masahiko Okumura, Susumu Yamada, Masahiko Machida, and Hideo Aoki
    • Journal Title

      Phys. Rev. B

      Volume: 94 Issue: 21 Pages: 214501-214501

    • DOI

      10.1103/physrevb.94.214501

    • Related Report
      2016 Research-status Report
    • Peer Reviewed
  • [Presentation] High Performance LOBPCG Method for Solving Multiple Eigenvalues of Hubbard Model: Efficiency of Communication Avoiding Neumann Expansion Preconditioner2018

    • Author(s)
      Yamada Susumu、Imamura Toshiyuki、Machida Masahiko
    • Organizer
      Supercomputing Asia (SC-Asia 2018)
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Spontaneous time-reversal breaking and topologically protected gapless states in unconventional nano superconductors2018

    • Author(s)
      Y. Nagai, Y. Ota and K. Tanaka
    • Organizer
      TMS-EPiQS 2nd Alliance Workshop; Topological Magnets and Topological Superconductors
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 自己学習連続時間量子モンテカルロ法:機械学習を用いたマルコフ連鎖モンテカルロ法の高速化2018

    • Author(s)
      Y. Nagai, H. Shen, Y. Qi, J. Liu, and L. Fu
    • Organizer
      日本物理学会 第73回年次大会
    • Related Report
      2017 Annual Research Report
  • [Presentation] Quadruple-precision BLAS using Bailey's arithmetic with FMA instruction: its performance and applications2017

    • Author(s)
      Susumu Yamada, Takuya Ina, Narimasa Sasa, Yasuhiro Idomura, Masahiko Machida, Toshiyuki Imamura
    • Organizer
      Parallel and Distributed Processing Symposium Workshops (IPDPSW), 2017 IEEE International
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] High Performance LOBPCG Method for Solving Multiple Eigenvalues of Hubbard Model: Efficiency of Communication Avoiding Neumann Expansion Preconditioner2017

    • Author(s)
      Yamada Susumu、Imamura Toshiyuki、Machida Masahiko
    • Organizer
      Parallel Computing (ParCo 2017)
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] LOBPCG法を用いたハバードモデルの厳密対角化:複数固有値に対する省通信ノイマン展開前処理の有効性2017

    • Author(s)
      山田進、今村俊幸、町田昌彦
    • Organizer
      第162回ハイパフォーマンスコンピューティング研究発表会
    • Related Report
      2017 Annual Research Report
  • [Presentation] Second-order phase transition due to disappearance of topological protection in d-wave superconducting nanoislands2017

    • Author(s)
      Y. Nagai, Y. Ota and K. Tanaka
    • Organizer
      International Conference on Topological Materials Science 2017 (TopoMat2017)
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Time-reversal symmetry breaking phase, gapped surface states, and vortex-antivortex pairs in d-wave nanoislands2017

    • Author(s)
      Y. Nagai, Y. Ota and K. Tanaka
    • Organizer
      16th International Workshop on Vortex Matter in Superconductors (VORTEX 2017)
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Self-learning continuous-time quantum Monte Carlo method2017

    • Author(s)
      Y. Nagai, H. Shen, Y. Qi, J. Liu, and L. Fu
    • Organizer
      Order, Fluctuations, and Strong Correlations; New Platforms and Developments (INTERTWINED C17)
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] d 波超伝導ナノアイランドにおける時間反転対称性の破れた相と渦糸・反渦糸2017

    • Author(s)
      永井佑紀、太田幸宏、K. Tanaka
    • Organizer
      第 25 回渦糸物理国内会議
    • Related Report
      2017 Annual Research Report
  • [Presentation] Shifted CG法を用いた超伝導自己無撞着平均場計算の実空間高速解法2016

    • Author(s)
      永井佑紀, 篠原康, 二村保徳, 櫻井鉄也
    • Organizer
      日本物理学会2016年秋季大会
    • Place of Presentation
      金沢大学(石川県金沢市)
    • Year and Date
      2016-09-13
    • Related Report
      2016 Research-status Report
  • [Presentation] 動的平均場理論に対する、LOBPCG法とshifted COCG法を用いた厳密対角化ソルバー2016

    • Author(s)
      永井佑紀, 篠原康, 山田進, 二村保徳, 今村俊幸, 櫻井鉄也
    • Organizer
      日本物理学会2016年秋季大会
    • Place of Presentation
      金沢大学(石川県金沢市)
    • Year and Date
      2016-09-13
    • Related Report
      2016 Research-status Report
  • [Presentation] Quadrature precision basic linear algebra subprograms with FMA instruction2016

    • Author(s)
      Susumu YAMADA, Yasuhiro IDOMURA, Toshiyuki IMAMURA, Narimasa SASA, Masahiko MACHIDA
    • Organizer
      SIAM Conference on Parallel Processing for Scientific Computing (PP16)
    • Place of Presentation
      Universite Pierre et Marie Curie, Cordeliers Campus (Paris, France)
    • Year and Date
      2016-04-12
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] High performance eigenvalue solver for Hubbard model on CPU-GPU hybrid platform2016

    • Author(s)
      Susumu YAMADA, Toshiyuki IMAMURA, Masahiko MACHIDA
    • Organizer
      SIAM Conference on Parallel Processing for Scientific Computing (PP16)
    • Place of Presentation
      Universite Pierre et Marie Curie, Cordeliers Campus (Paris, France)
    • Year and Date
      2016-04-12
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] 二次元トポロジカルs波超伝導体の秩序変数の安定性2016

    • Author(s)
      永井佑紀、 星野晋太郎、太田幸宏
    • Organizer
      2016年日本物理学会年次大会
    • Place of Presentation
      東北学院大学泉キャンパス(宮城県仙台市)
    • Year and Date
      2016-03-19
    • Related Report
      2015 Research-status Report

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Published: 2015-10-21   Modified: 2019-03-29  

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