National Computational Infrastructure

NCI

Latest software

Each month the NCI User Support team installs a new suite of software on Raijin. Click here to view the whole list of current software on Raijin.

module avail on Raijin to see more applications.

July 2017

  • amber/17-17.07
  • bazel/0.4.4
  • bazel/0.5.0
  • bazel/0.5.1
  • bazel/0.5.2
  • cmake/3.8.2
  • elk/4.3.6
  • ga-aem/1.0
  • htslib/1.4
  • lammps/31Mar17
  • lumerical/8.18.1262
  • mrbayes/3.2.6
  • ORCA 4.0.1
  • payu/0.8a
  • plumed/2.3.2
  • tensorflow/1.2.1-python2.7
  • tensorflow/1.2.1-python3.5
  • torch/PyTorch3
  • underworld/2.3.0

June 2017

  • beagle-lib/2.1.2
  • beast/1.8.4-new
  • cfdpp/17.1
  • dmol3/2017r2
  • espresso/6.1
  • gamess/2017-04-R1
  • matlab/R2017a
  • octopus/6.0
  • octopus/7.1
  • openmpi/1.10.3
  • openmpi/1.10.4
  • openmpi/1.10.5
  • openmpi/1.10.6
  • openmpi/1.10.7
  • openmpi/2.1.1
  • openquake/2.4
  • paraview/5.3.0-mesa
  • R/3.3.2
  • R/3.4.0
  • turbomole/7.1.1

May 2017

  • abyss/2.0.2
  • allinea-forge/7.0.3
  • fastqc/0.11.5
  • gromacs/2016.1-gpupascal
  • gromacs/2016.3
  • gromacs/2016.3-gpu
  • gromacs/2016.3-gpupascal
  • ipm/2.0.6-gnu
  • ipm/2.0.6-intel
  • llvm/4.0.0
  • openmpi/2.1.0
  • openmpi/2.1.1
  • orca/4.0.0
  • papi/5.5.1
  • SOAPdenovo2/2.41
  • ucx/b972dd3
  • vasp/5.4.4

April 2017

  • bowtie2/2.3.1
  • kallisto/0.43.1
  • star/2.5.3a
  • bowtie/1.2.0
  • clustalw/2.1
  • adf/2017.103
  • ncl/6.4.0
  • ucx/f7857b8
  • samtools/1.4
  • beast/1.8.4
  • bcftools/1.4
  • memkind/1.4.0
  • memkind/1.5.0

March 2017

  • bedtools/2.26.0
  • dftbp/1.3.1
  • geant4/10.03.p01
  • intel-advisor/2017.1.2.501009
  • intel-vtune/2017.2.0.499904
  • meep/1.3
  • OpenFOAM/4.1
  • orca/4.0.0
  • torch/pytorch

February 2017

  • allinea-forge/7.0.0
  • allinea-reports/7.0.0
  • aria2/1.31.0
  • autodock/4.2.6
  • bazel/0.4.3
  • cdo/1.8.0
  • cudnn/5.1.10-cuda8.0
  • dftbp/1.3.0
  • gdal/2.1.3
  • gsl/1.15
  • gsl/2.3
  • idl/8.6
  • lsdyna/R9.1.0-mpp
  • lsdyna/R9.1.0-smp
  • nco/4.6.4
  • payu/0.7
  • tensorflow/0.12.1-python2.7
  • tensorflow/0.12.1-python3.5

January 2017

  • bowtie2/2.2.9
  • fftw3-mkl/17.0.1.132
  • gaussian/g16a03
  • gaussview/6.0.16
  • gcc/6.2.0
  • llvm/3.9.1
  • namd/2.12
  • torch/torch7
  • velvet/1.2.10
  • vmd/1.9.3

December 2016

  • castep/2017
  • dmol3/2017
  • matserver/2017
  • fluidity/4.1.14
  • intel-cc/17.0.1.132
  • intel-fc/17.0.1.132
  • intel-ipp/17.0.1.132
  • intel-mkl/17.0.1.132
  • intel-tbb/17.0.1.132
  • petsc/3.7.4
  • petsc/3.7.4-gcc
  • pgi/16.10
  • vtk/6.3.0

November 2016

  • ansys/17.2
  • arb/2.8.1
  • cfx/17.2
  • cgal/4.6.3
  • cgal/4.9
  • escript/5.0
  • ffmpeg/3.2
  • flint/2.5.2
  • fluent/17.2
  • geant4/10.01.p03
  • gromacs/2016.1
  • gromacs/2016.1-gpu
  • gromacs/2016.1-knl
  • mathematica/11.0.1
  • nco/4.6.2
  • opencv/2.4.10
  • openquake/2.1.1
  • petsc/3.1.8-new

October 2016

  • abinit/8.0.8b
  • arb/2.8.1
  • bazel/0.3.1
  • cmake/3.6.2
  • flint/2.5.2
  • gamess/2016-08-R1
  • gsl/1.15
  • intel-cc/17.0.0.098
  • intel-fc/17.0.0.098
  • intel-ipp/17.0.0.098
  • intel-mkl/17.0.0.098
  • intel-mpi/2017.0.098
  • intel-tbb/17.0.0.098
  • mpi4py/2.0.0
  • tensorflow/0.10.0-python2.7
  • tensorflow/0.10.0-python3.5

September 2016

  •  amber/16-16.09
  •  cudnn/5.1.3-cuda7.5
  •  escript/4.2.0.1
  •  espresso/5.4.0-knl
  •  espresso/5.4.0-sandybridge
  •  gmp/6.1.1
  •  isl/0.16.1
  •  liggghts/3.5.1
  •  lumerical/8.16.931
  •  mpfr/3.1.4
  •  OpenFOAM/1606
  •  qchem/4.4
  •  silo/4.10.2
  •  sundials/2.5.0-v16

August 2016

  • cfdpp/16.5
  • comsol/5.2a
  • cp2k/3.0.0
  • cppunit/1.13.2
  • darshan/3.0.1
  • escript/4.2.0.1
  • fftw3-mkl/16.0.3.210
  • fftw3/3.3.5
  • fltk/1.3.3
  • gmsh/2.13.2
  • grads/2.1.0
  • gromacs/5.1.3
  • lammps/30Jul16
  • namd/2.11/bin/namd2-knl
  • namd/2.11/bin/namd2-node-knl
  • openquake/2.0.1
  • plumed/2.2.3
  • psicode/4.0-19Aug16
  • silo/4.10.2
  • vasp/5.4.1

July 2016

  • caffe/caffe-py3
  • cfdpp/16.5
  • casacore/2.1.0
  • dalton/2016.2
  • darshan/3.0.1
  • ferret/6.96
  • lasagne/0.2.dev1-3.4.3
  • libgdiplus/4.2
  • python3/3.5.2
  • python3/3.5.2-matplotlib
  • siesta/4.0
  • SNF/4.0.0
  • tensorflow/0.9.0
  • theano/0.9.0.dev2-3.4.3

June 2016

  • gatk/3.6
  • samtools/1.3.1
  • cusp/0.5.1
  • libgdiplus/4.2
  • nwchem/6.6
  • curl/7.49.1
  • superlu/5.2.1
  • scotch/6.0.4
  • hypre/2.9.0b
  • hypre/2.11.0
  • R/3.3.0
  • uvcdat/2.4.1
  • eigen/3.2.
  • bzip2/1.0.6
  • cufflinks/2.2.1
  • superlu_dist/5.1.0
  • xz/5.2.2
  • SNF/4.0.0
  • python3/3.5.2-matplotlib
  • python3/3.5.2
  • zlib/1.2.8
  • pcre/8.38
  • nextgenmap/0.5.0

May 2016

  • amber/16-16.05
  • boost/1.60.0
  • cube/4.3.4
  • gflags/2.1.2
  • glog/0.3.4
  • hdf5/1.10.0
  • intel-advisor/2016.1.30.450722
  • intel-advisor/2016.1.40.463413
  • intel-cc/16.0.3.210
  • intel-fc/16.0.3.210
  • intel-inspector/2016.1.2.450824
  • intel-inspector/2016.1.3.460803
  • intel-ipp/16.0.3.210
  • intel-mkl/16.0.3.210
  • intel-mpi/5.1.3.210
  • intel-tbb/16.0.3.210
  • intel-vtune/2016.2.0.444464
  • intel-vtune/2016.3.0.463186
  • leveldb/1.18
  • lmdb/0.9.18
  • lsdyna/R7.0.0
  • opari2/2.0
  • openmpi/cuda/7.5/1.10.2
  • openmpi/cuda/7.5/1.10.2-debug
  • openmpi/cuda/7.5/1.10.2-mt
  • openmpi/cuda/7.5/1.10.2-mt-debug
  • otf2/2.0
  • protobuf/2.6.1
  • scalasca/2.3
  • scorep/2.0.1
  • snappy/1.1.3
  • tensorflow/0.8

April 2016

  • 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

March 2016

  • adf/2016.101
  • amber/14-16.01
  • ansys/17.0
  • autoconf/2.69
  • cdo/1.7.1
  • cfdpp/15.1
  • cfx/17.0
  • ffmpeg/3.0
  • fluent/17.0
  • gatk/3.5
  • hdf5/1.8.16t
  • intel-cc/16.0.2.181
  • intel-fc/16.0.2.181
  • intel-ipp/16.0.2.181
  • intel-mkl/16.0.2.181
  • intel-mpi/4.0.3.008
  • intel-mpi/4.1.0.030
  • intel-mpi/4.1.3.049
  • intel-tbb/16.0.2.181
  • ipm/2.0.2
  • ipm/2.0.5
  • libjpeg-turbo/1.4.90
  • matserver/2016
  • nccmp/1.8.2.0
  • nextgenmap/0.4.12
  • papi/5.4.1
  • papi/5.4.3
  • papi/5.4.3-cuda
  • parpack/2.1
  • samtools/1.3
  • vasp/5.4.1
  • virtualgl/2.5

February 2016

  • ansys/17.0
  • llvm/3.6.2
  • plumed/2.2.1
  • openmpi/1.10.0
  • perl/5.22.1
  • gromacs/5.1.2
  • gromacs/5.1.2-plumed
  • biopython/1.66
  • scalasca/2.2.2
  • namd/2.11
  • valgrind/3.11.0

January 2016

  • ansys/16.2
  • dftbp/1.2.2
  • nag/fll6i24dcl
  • plumed/2.2.0-me
  • geos/3.5.0
  • lammps/7Dec15
  • siesta/3.2
  • dalton/2016
  • dalton/2015
  • molpro/2015.1
  • payu/0.6

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