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News

  • 2017/04/04
    Information [ for super computing system users ]
    The Center news special (in Japanese) is published.PDF
  • 2017/03/29
    Information [ upgrade of application program on Mar. 27, 2017 ]
    1. Installed Gaussian 16
     We have installed Gaussian 16 Rev A.03. Please refer to official Gaussian website for more details on Gaussian 16.
    2. Installed GaussView 6
     We have installed GaussView 6. Please refer to GaussView website for more details on GaussView.
    * It is installed on application server only.
  • 2017/01/31
    Information [ upgrade of application program on Jan. 30, 2017 ]
    We have upgraded WIEN2k from 14.2 to 16.1 on both of supercomputer and application server.
    Please refer to official WIEN2k website for more details on WIEN2k.
  • 2017/01/16
    Information [ installation of application programs ]
    We have installed following application programs on supercomputer.
    1. LAMMPS 5Nov16
     Please refer to official LAMMPS website for more details on LAMMPS.
    2. feram 0.26.03
     Please refer to official feram website for more details on feram.
    3. OpenMX 3.8.1
     Please refer to official OpenMX website for more details on OpenMX.
    We have installed following application programs on application server.
    1. LAMMPS 5Nov16
     Please refer to official LAMMPS website for more details on LAMMPS.
  • 2016/12/22
    Information [ for super computing system users ]
    The Center news No.26 (in Japanese) is published.PDF
  • 2016/11/29
    Information [ upgrade of compilers, libraries and application programs on Nov. 28, 2016 ]
    1. Upgraded Intel compilers and libraries
    We have upgraded Intel Parallel Studio XE from 2016 Update 3 to 2017 Update 1. It provides the following packages.
    1.1 Intel Fortran and C/C++ compiler 17.0 Update 1
    1.2 Intel MKL 2017 Update 1
    1.3 Intel MPI 2017 Update 1
    Please refer to official Intel website for more details on Intel compilers and libraries.
    2. Upgraded PGI compilers
    We have upgraded PGI compilers from 14.4 to 16.9. Please refer to official PGI website for more details on PGI compilers.
    3. Installed Materials Studio
    We have installed Materials Studio 2017. Please refer to official Materials Studio website for more details on Materials Studio.
    4. Upgraded Mathematica
     We have upgraded Mathematica from version 10.4 to 11.0.1. Please refer to official Mathematica website for more details on Mathematica.
    5. Upgraded MATLAB
     We have upgraded MATLAB from version R2016a to R2016b. Please refer to official MATLAB website for more details on MATLAB.
    6. Upgraded ATK and VNL
     We have upgraded ATK and VNL from version 2015.1 to 2016.2. Please refer to official ATK and VNL website for more details on ATK and VNL.
    7. Installed LAMMPS
     We have installed LAMMPS 30Jul16. Please refer to official LAMMPS website for more details on LAMMPS.
    8. Installed Quantum Espresso
     We have installed Quantum Espresso 6.0.0. Please refer to official Quantum Espresso website for more details on Quantum Espresso.
    9. Installed ABINIT
     We have installed ABINIT from version 8.0.8 to 8.0.8b. Please refer to official ABINIT website for more details.
    10. Applied patch to VASP 5.4.1
    We have applied patch to VASP 5.4.1. Please refer to official VASP website for more details on VASP.
  • 2016/11/14
    Information [ maintenance operation of the supercomputing system ]
    Service suspension period: Nov. 28 (Mon.) 9:00, 2016 -- Nov. 29 (Tue.) 10:00, 2016
  • 2016/11/11
    Information [ Update to SHA-2 certificates ]
    It has been announced that SSL communications with SHA-1 certificates will be rejected from 2017, and we take the opportunity of the forthcoming maintenance operation scheduled in the end of November to update to SHA-2 certificates on our server. We regret to inform you that you may not be able to check job information using some mobile phones which do not support SHA-2 certificates.

supercomputing system

The supercomputing system at the Center for Computational Materials Science, IMR, Tohoku University aims to serve as "a solution for researchers on materials design to realize sustainable world by computer simulation", which is mainly composed of the HITACHI SUPER TECHNICAL SERVER SR16000 Model M1 with the total operation speed of 300TFLOPS. We welcome researchers from over the world to use the system prepared with a number of tuned softwares for theoretical materials design and sufficient technical support.

System configuration is here.PDF