CCMS

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

Supercomputing Consortium for Computational Materials Science (SCCMS)

1. Outline

From fiscal 2015, as a project related to the three fields of material science, physical science, and molecular science, a review committee on social and scientific issues that should be focused on post-K computer priority issues (Priority Issue (5) Development of new fundamental technologies for high-efficiency energy creation, conversion / storage and use, Priority Issue (7) Creation of new fundamental devices and high-performance materials to support next-generation industries) and post-K computer exploratory challenges (Frontiers of Basic Science: Challenging the Limits – exploring the extremes through multi-physics multi-scale simulations) was established, and furthermore, as a building of consortia for the development of human resources in science and technology project of JST, Professional development Consortium for Computational Materials Scientists and Element Strategy Initiative: To Form Core Research Centers have also been started.

Institute for Materials Research of Tohoku University operates "Supercomputing Consortium for Computational Materials Science" with the Institute for Solid State Physics of the University of Tokyo and Institute for Molecular Science of National Institutes of Natural Sciences, for the purpose of supporting projects that aim at massively parallel computing of high commonality in above three fields and of encouraging further efforts to enhance parallel computing to each research fields. CCMS started to provide the computational resources up to 20% of our supercomputing system for the purpose of having the users proceeds their research subject as "Application category for Supercomputing Consortium for Computational Materials Science" from 2016 fiscal year. So please apply for the applicant following the way shown below.

2. Available computing resources

Supercomputing system of Center for Computational Materials Science, Institute for Materials Research, Tohoku University (Cray XC50-LC and Cray CS-Storm 500GT)

System Name Supercomputer
Model Cray XC50-LC Cray CS-Storm 500GT
total nodes

computing node: 293 nodes
I/O node, etc: 27 nodes

29 nodes

CPU

Intel Xeon Gold 6150

  1. frequency: 2.7 GHz
  2. number of cores: 18 cores/CPU
  3. number of CPUs: 2 CPUs/node

Intel Xeon Gold 6150

  1. frequency: 2.7 GHz
  2. number of cores: 18 cores/CPU
  3. number of CPUs: 2 CPUs/node
Accelerator -

NVIDIA Tesla V100 for PCIe

  1. performance: 7.0 TFLOPS
  2. number of GPU cores: 5,120 cores/GPU
  3. number of GPUs: 10 GPUs/node
memory size 768 GiB/node 768 GiB/node
Theoretical peak performance 3.03 PFLOPS
(CPU: 1.00 PFLOPS, GPU: 2.03 PFLOPS)
total number of CPU cores 11,592 cores
total number of GPU cores 1,484,800 cores (290 GPUs)
total memory size 241.6 TiB

2.1 Available node hours

Up to 20% of total node hours of our supercomputer (Cray XC50-LC and Cray CS-Storm 500GT) in total of SCCMS.

3. Research projects and Qualification for use

3.1 Research projects

  1. Post-K computer priority issue (5) Development of new fundamental technologies for high-efficiency energy creation, conversion / storage and use
  2. Post-K computer priority issue (7) Creation of new fundamental devices and high-performance materials to support next-generation industries
  3. Post-K computer exploratory challenges (Frontiers of Basic Science: Challenging the Limits – exploring the extremes through multi-physics multi-scale simulations)
  4. Professional development Consortium for Computational Materials Scientists
  5. Element Strategy Initiative: To Form Core Research Centers

3.2 Qualification for use

Researchers belonging to national, public, and private universities and national and public research institutes who are promoting the above research projects.

  1. The principal researchers and co-investigators of post-K computer priority issue (5)
  2. The principal researchers and co-investigators of post-K computer priority issue (7)
  3. The principal researchers and co-investigators of post-K computer exploratory challenges
  4. Researchers for the next generation of PCoMS
  5. The principal researchers of Element Strategy Initiative

4. Application method and inspection for SCCMS

4.1 Application method

See project application of SCCMS in the preceding page.

4.2 inspection

The node hour for application would be decided by management committee of SCCMS.

5. Usage term and fee

5.1 Usage term

From August 1, 2018 to March 31, 2019

5.2 Usage fee

The computing resource would be managed based on distributed node hour. Usage fee would not be collected.

6. Usage report

Submission of usage report to CCMS would be required at the beginning of the next fiscal year. Information of the node hour used in each subject would be reported to the management committee of SCCMS.

7. Publication of research outcome

  1. Publish the paper regarding your outcome.
  2. The user must clearly state that the supercomputing system in IMR named as MASAMUNE-IMR was used to obtain the outcome in the acknowledgements.
  3. Send one copy of the paper to CCMS, IMR.

Ex. We gratefully acknowledge the Center for Computational Materials Science, Institute for Materials Research, Tohoku University for the use of MASAMUNE-IMR (MAterials science Supercomputing system for Advanced MUlti-scale simulations towards NExt-generation - Institute for Materials Research).