CCMS

Center for Computational Materials Science
Institute for Materials Research,
Tohoku University

Guidance of CCMS

Greetings

Head, Momoji KUBO
　Head, Momoji KUBO

　Great expectations towards the computational materials science have been growing and growing in recent years in order to create prosperous and livable future society. Especially, for solving many problems facing humanity, such as addressing energy and environmental issues as well as establishing safe, secure, and sustainable society, computational materials science is expected to play key and crucial roles. Flagship supercomputer Fugaku in Japan won the first place in TOP500, world computer performance ranking, in June, 2020. Furthermore, Fugaku won the first place in HPCG (High Performance Conjugate Gradient), HPL-AI, and Graph500. Under these circumstances, our supercomputer in Center for Computational Materials Science (CCMS) belongs to the second level in the domestic computational resource hierarchy where Fugaku supercomputer is in the first level and is strongly required to contribute to the development and advancement of materials science. In order to fulfil our mission above, CCMS provides computational resources to materials science community as an international collaborative research institute as well as promotes the development of application software for supercomputer and its application to materials science. CCMS also provides computational resources to the researchers who participate in the projects of Program for Promoting Research on the Supercomputer Fugaku and Data generation and utilization materials Research and development projects (DxMT). Furthermore, CCMS cooperates with the PCoMS project, assists the parallelization of application software, and holds the lecture courses for application software. In addition, CCMS established Computational Materials Science Forum (CMSF) in May, 2020, with 1) Center of Computational Materials Science, The Institute for Solid State Physics, The University of Tokyo, 2) Institute for Molecular Science/Research Center for Computational Science, National Institutes of Natural Sciences, and 3) Institute for NanoScience Design (currently known as: R3 Institute for Newly-Emerging Science Design), Osaka University. CMSF performs activities to gather opinions about the indispensable and requisite future simulation technologies and future data utilization technologies, and to make their recommendations to the national government and its related organizations.
　Since August 2018, CCMS has started the operation of supercomputing system “MASAMUNE-IMR”, which has Cray XC50-LC and Cray CS-Storm 500GT as main supercomputers. Total operation performance of this system is 3 PFLOPS, which is 10 times faster than our previous supercomputing system of 300 TFLOPS. CCMS aims to clarify and confront the mission of CCMS in the materials science field, to promote the cooperation and integration with different research fields, and to advance the creative and innovative researches, contributing materials science field as a leading supercomputer center with high originality and creativity. We would appreciate your continuous support and cooperation with CCMS.

Works

This center was developed from the Laboratory of Materials Information Science which was established in February 1989. Its main tasks are as follows:

[Supercomputing System Administration and Support]

  1. Administration, Operation, and Maintenance of Our Supercomputing System
  2. General Supports for Users of Our Supercomputing System
  3. Supports for Parallel Computation Techniques in Our Supercomputing System
  4. Holding Lecture Courses for Application Software in Our Supercomputing System

[Research and Development]

  1. Development and Application of Superlarge-Scale Application Software for Supercomputer
  2. Development of Multi-Physics Computational Science Methodology and Its Application to Materials Design
  3. Research on Basic Theory for Multi-Scale Materials Science and Its Application to Materials Design
  4. Research on Materials Informatics Technology and Its Application to Materials Development

[Collaboration and Support]

  1. Collaboration with HPCI (High Performance Computing Infrastructure)
  2. Supply of Computational Resources to Supercomputing Consortium for Computational Materials Science (Collaboration with Supercomputer Centers in Institute for Solid State Physics and Institute for Molecular Science)
  3. Collaboration with and Support for Program for Promoting Research on the Supercomputer Fugaku
  4. Management of PCoMS (Professional development Consortium for Computational Materials Scientists)
  5. Management of CMSF (Computational Materials Science Forum)
    (Collaboration with Supercomputer Centers in Institute for Solid StatePhysics, Institute for Molecular Science, and R3 Institute for Newly-Emerging Science Design)