Software

Modules

Software installations on the system span many applications, and many different version numbers of the same application. It is not possible (nor desirable) to use them all at the same time, since different versions of the same application may conflict with each other. In order to simplify the control of which application versions are available in a specific session, use command module for loading and unloading ‘modules’ which activate and deactivate the relevant parts of your user session. The command

$ module avail

will show the list of applications installed. See the manual page

$ man module

for further information.

Installed Software

Applications

ApplicationDefault versionAlternate versionsHome page                
abaqus            6.11-26.14-1www.simulia.com
adf2014.012016.102www.scm.com
amber12 ambermd.org
ansys cfx15.0.016.2.0, 17.0www.ansys.com/Products/Fluids/ANSYS-CFX
ansys fluent15.0.016.2.0, 17.0www.ansys.com/Products/Fluids/ANSYS-Fluent
ansys mechanical15.0 www.ansys.com/Products/Structures/ANSYS-Mechanical
comsol4.3b5.2www.comsol.com
cp2k2.63.0, 4.1www.cp2k.org
cpmd4.1 www.cpmd.org
gromacs2016.1 www.gromacs.org
lammps141209140905, 150810lammps.sandia.gov
mdynamix5.2.45.2.7mmkluster.fos.su.se/mdynamix
namd2.102.11, 2.12www.ks.uiuc.edu/Research/namd                           
nwchem6.56.6www.nwchem-sw.org
openfoam3.0.02.2.0, 2.3.1, 2.4.0www.openfoam.com
quantum espresso5.1.16.0www.quantum-espresso.org
starccm+10.02.01210.02.012-r8, 11.04.012-r8www.cd-adapco.com
vasp5.3.5 www.vasp.at
wrf3.7.1 www.wrf-model.org

Libraries

Library                 Default versionAlternate versionsHome page
boost                   1.47.01.53.0, 1.55.0, 1.57.0, 1.60.0, 1.61.0, 1.62.0www.boost.org
fftw3.32.1.5, 3.3.3, 3.3.4, 3.3.5www.fftw.org
gdal2.0.12.0.2, 2.1.2www.gdal.org
grib1.9.161.10.4, 1.11.0, 1.12.1, 1.13.0, 1.14.5, 1.19.0software.ecmwf.int/wiki/display/GRIB/Home
gsl1.151.16, 2.1, 2.3www.gnu.org/software/gsl
hdf51.8.71.8.9, 1.8.11, 1.8.12, 1.8.14, 1.8.16, 1.8.17, 1.8.18www.hdfgroup.org
hypre2.8.0b2.10.1, 2.11.1computation.llnl.gov/projects/hypre-scalable-linear-solvers-multigrid-methods
java dk1.7.0_01 www.oracle.com/us/technologies/java
mkl10.311.0, 11.1, 11.2, 11.3, 2017.0.0Intel® Math Kernel Library
mpt2.062.09, 2.10, 2.11, 2.13, 2.14SGI Message Passing Toolkit
mumps4.10.05.0.0, 5.0.2mumps.enseeiht.fr
netcdf4.1.33.6.2, 4.3.0, 4.3.1, 4.3.2, 4.4.0, 4.4.1www.unidata.ucar.edu/software/netcdf
parmetis4.0.24.0.3glaros.dtc.umn.edu/gkhome/metis/parmetis/overview
petsc3.4.13.5.3, 3.7.4www.mcs.anl.gov/petsc
pnetcdf1.3.11.4.1, 1.5.0, 1.6.1trac.mcs.anl.gov/projects/parallel-netcdf
trilinos11.2.411.12.1trilinos.org
udunits2.1.242.2.4, 2.2.17, 2.2.20www.unidata.ucar.edu/software/udunits       
vtk5.8.06.0.0www.vtk.org

Tools

ToolDefault versionAlternate versions              Home page                                                              
antlr                      2.7.7 www.antlr2.org
automake1.12 www.gnu.org/software/automake
cdo1.5.6.11.6.0, 1.6.4, 1.7.0, 1.7.2code.zmaw.de/projects/cdo
cmake2.8.83.4.3, 3.7.2www.cmake.org
ddt4.2 www.allinea.com/products/ddt
gcc4.3.44.8.2, 4.9.1gcc.gnu.org
horton2.0.0 theochem.github.io/horton
intel compilers12.013.0, 14.0, 15.0, 16.0, 17.0Intel® Compilers
matlabR2014aR2013b, R2015awww.mathworks.se/products/matlab
mercurial3.2.4 mercurial.selenic.com
must1.5.0 doc.itc.rwth-aachen.de/display/CCP/Project+MUST
ncl6.1.26.2.0, 6.2.1, 6.3.0, 6.4.0www.ncl.ucar.edu
nco4.1.04.3.1, 4.4.3, 4.4.7, 4.5.5, 4.6.1nco.sourceforge.net                                               
ncview2.1.12.1.2, 2.1.4, 2.1.6, 2.1.7meteora.ucsd.edu/~pierce/ncview_home_page.html
octave3.6.4 www.gnu.org/software/octave
openspeedshop2.1-u5 www.openspeedshop.org
papi5.3.2 icl.cs.utk.edu/papi
paraview4.3.14.0.1www.paraview.org
phonopy1.9.4 atztogo.github.io/phonopy
phono3py0.9.10.1 atztogo.github.io/phono3py
proj4.7.04.8.0, 4.9.1, 4.9.2, 4.9.3proj4.org
python2.62.7.2, 2.7.3, 2.7.6, 2.7.9, 2.7.11, 2.7.12, 2.7.13, 3.4.3, 3.6.1www.python.org
R2.15.23.0.1www.r-project.org
scalasca2.1 www.scalasca.org
tau2.22.2 tau.uoregon.edu
totalview8.14.1-88.15.0-15www.roguewave.com/products/totalview

Python and Packages

Package              ReleaseHome page
python2.7.22.7.32.7.62.7.92.7.112.7.13www.python.org
basemap  1.0.71.0.71.0.71.0.7matplotlib.org/basemap
cdo{rb,py} 1.2.11.2.3 1.3.01.3.2code.zmaw.de/projects/cdo/wiki/Cdo
cython0.15.10.17.40.19.20.21.20.23.40.25.2cython.org
docutils0.90.10 0.120.120.13docutils.sourceforge.net
gnuplot-py1.81.81.81.81.81.8gnuplot-py.sourceforge.net
grib_api 1.10.41.12.11.13.01.14.51.19.0software.ecmwf.int/wiki/display/GRIB
h5py 2.3.1 2.4.02.6.02.6.0www.h5py.org
ipython0.120.13.11.1.02.3.14.1.15.1.0ipython.org
matplotlib1.1.01.2.01.3.11.4.21.4.31.5.3matplotlib.org
mayavi4.1.0     mayavi.sourceforge.net
more-itertools   2.22.22.4.1github.com/erikrose/more-itertools
mpi4py1.2.21.31.3.11.3.12.0.02.0.0pythonhosted.org/mpi4py
mpmath   0.19 0.19mpmath.org
netcdf41.01.0.21.0.71.1.31.2.21.2.6github.com/Unidata/netcdf4-python
numexpr1.4.22.0.12.2.22.4.12.52.6.1github.com/pydata/numexpr
numpy1.6.11.6.21.8.01.9.11.10.41.11.3www.numpy.org
orio 0.2.2    brnorris03.github.io/Orio
petsc4py 3.4 3.5.1 3.7.4bitbucket.org/petsc/petsc4py
pygrib   2.0.12.0.12.0.2github.com/jswhit/pygrib
pypar2.1.42.1.42.1.5   github.com/daleroberts/pypar
pyproj 1.9.4  1.9.5.11.9.5.1github.com/jswhit/pyproj
pytables2.3.12.4.03.0.03.1.13.2.03.2.0www.pytables.org
pytrilinos 11.2.4 11.12.1  trilinos.org/packages/pytrilinos
pyyaml3.113.103.103.113.113.12pyyaml.org/wiki/PyYAML
scientificpython2.82.82.8.1   sourcesup.cru.fr/projects/scientific-py
scikit-learn0.13.10.13.10.14.10.15.20.17.10.18.1scikit-learn.org
scipy0.10.0b20.110.13.20.15.10.17.00.18.1www.scipy.org
scitools0.80.9    github.com/hplgit/scitools
sympy0.7.10.7.20.7.4.10.7.6 1.0www.sympy.org
virtualenv 1.10.11.11.112.0.514.0.615.1.0pypi.python.org/pypi/virtualenv

Missing Software?

If there is any software missing on this list that you would like to have installed on Vilje, or you need help to install your own software, please feel free to contact the Support personal about this.