Information, Technology & Consulting

Software Resources for Researchers


The following software is available to researchers:


mrbayesDiscoveryLinuxBayesian Inference of phylogeny
msbayesDiscoveryLinuxComplex and flexible comparative phylogeographic inference


autodockDiscoveryLinuxDocking tools, Chemistry
AvogadroDiscoveryLinuxAdvanced molecular editor, Computational Chemistry
BabelDiscoveryLinuxChemical toolbox, required by Avogadro
CSDSAndes, PolarisLinuxCambridge Structural Database and tools
GaussianAndes, DiscoveryLinuxComputational Chemistry. Group license
JaquarDiscoveryLinuxAb initio electronic structure package
namdDiscoveryLinuxParallel Molecular Dynamics code for large biomolecular systems
nwchemAndes, DiscoveryLinuxElectronic structure and molecular dynamics calculations
QchemDiscoveryLinuxElectronic Structure calculations


MapleAndes, Polaris, DiscoveryLinuxMathematical and analytical software
MathematicaAndes, Polaris, DiscoveryLinux, WindowsMathematical and analytical software
MatlabAndes, Polaris, DiscoveryLinux, Macintosh, WindowsMathematical and analytical software


RAndes, Polaris, DiscoveryLinuxStatistics, data mining
R-mpiDiscoveryLinuxStatistics, data mining
SASAndes, Polaris, DesktopLinux, WindowsStatistical Analysis software
SPSSKeyservedMacintosh, WindowsStatistical analysis. KeyServed concurrent licenses
StataAndes, KeyservedLinux, Macintosh, WindowsStatistical analysis. KeyServed concurrent licenses

Data Visualization and Graphics

eccePolaris, DiscoveryLinuxComputational Chemistry graphical interface to NWChem and Gaussian
gabeditDiscoveryLinuxGraphical user interface to Computational Chemistry
visitAndes, Polaris, DiscoveryLinuxData analysis and visualization
paraviewAndes, Polaris, DiscoveryLinuxData analysis and visualization
itkDiscoveryLinuxInsight Toolkit Image Processing
idlAndes, Polaris, DiscoveryLinuxData analysis and Visualization
mgltoolsDiscoveryLinuxVisualization and analysis of molecular structures
vmdDiscoveryLinuxVisual Molecular Dynamics


gfortranAndes, Polaris, DiscoveryLinuxGNU Fortran Compilers
gccAndes, Polaris, DiscoveryLinuxGNU C compilers
Intel CompilersAndes, Polaris, DiscoveryLinuxFortran, C, C++ compilers
PGI CompilersAndes, Polaris, DiscoveryLinuxFortran, C, C++ compilers

Math and Scientific Libraries

acmlDiscoveryLinuxAMD core libraries
Eigen2DiscoveryLinuxC++ library for linear algebra, required by Avogadro
fftwDiscoveryLinuxFFT Libraries
fftw-mpiDiscoveryLinuxFFT Libraries, Infiniband built
HDFDiscoveryLinuxLibraries for data management
HDF5DiscoveryLinuxLibraries for data management
HDF5-parDiscoveryLinuxLibraries for data management, Infiniband built
MKL:Andes, Polaris, DiscoveryLinuxIntel Scientific Libraries
MPICHAndes, DiscoveryLinuxMessage passing Libraries for parallel computing, built for gcc, Intel and PGI
MPICH2Andes, Polaris, DiscoveryLinuxMessage passing Libraries for parallel computing, built for gcc, Intel and PGI
 mumpsDiscoveryLinuxlarge sparse matrix  solver

Message passing Libraries for Infiniband, built for gcc, Intel and PGI

 netcdfAndes, PolarisLinuxSoftware libraries for creation, access and sharing array oriented data
scalapackAndes, Polaris, DiscoveryLinuxHigh performance linear algebra Library


ESRI/GISNetwork LicenseWindowsRemote sensing/GIS
mplayerDiscoveryLinuxMovie player for Linux
ompPDiscoveryLinuxompMP profiler
Qt4DiscoveryLinuxCross platform development tool. Required by Avogadro
subversionAndes, Polaris, DiscoveryLinuxVersion control
TotalViewAndes, Polaris, DiscoveryLinuxCode debugger
Xwin32Concurrent LicenseWindowsConnectivity

Linux Utilities

AntAndes, Polaris, DiscoveryLinuxJava based built tool (make)
cmakeDiscoveryLinuxLinux build utility
mpiexecDiscoveryLinuxMPI parallel job launcher
sconsPolaris, DiscoveryLinuxMake utility

In addition, the following resources are available for support of this research software:

For more information, see:

To contact a research consultant, e-mail [email protected]

Research Computing
Research Computing Consulting
Last updated: 
Sunday, August 14, 2016

If you have questions or need further information, contact your department's IT support office, or contact the IT Service Desk via email at [email protected], via phone at 603-646-2999 or walk in to see them in Baker/Berry 178J.

Information, Technology & Consulting