National Computational Infrastructure

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New software installed on Raijin – April 2016

NCI’s User Services team have installed a range of new software on Raijin this month.

  • metis/5.1.0
  • parmetis/4.0.3
  • fftw3/3.3.4 (Single and Double precision)
  • fftw3/3.3.4s (Single precision only)
  • petsc/3.6.3 (Build with Intel MKL FFTW3)
  • petsc/3.6.3-fftw3 (Build with FFTW3 v3.3.4. Includes f03 interface)
  • vasp/5.4.1 (Updated to include patch.5.4.1.14032016. Added -tst executables)
  • BioPerl-1.6.923 installed as part of perl 5.22.1 (used module load perl/5.22.1 to access bioperl scripts)
  • lammps/16Feb16 (lmp_openmpi and lmp_openmpi-plumed now includes -omp packages)
  • elk/3.3.17 (Very interesting DFT code. Users of ab-init are encouraged to have a look)
  • cfdpp/16.1
  • theano/0.8.1-3.4.3
  • amber/14-16.01
  • matlab/R2016a
  • turbovnc/2.0.91
  • bazel/0b26f44
  • cudnn/4.0.7

module avail on Raijin to see more applications.

 

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