High Performance Computing

Software

Software available to users includes:

  • Compilers,Numerical Libraries and Debugging tools for those doing their own development (See the Programming section)
  • Standard Linux tools (editors, scripting languages etc.)
  • Freely available software packages (often covered by GNU licences)
  • Commercial software
Software may be installed by users in their own directories, but if applications are to be run by several users, its is advisable to have the software installed centrally.

Below is a list of software which has been installed centrally, with a summary of the licensing conditions. Most commercial software is paid for by Schools, but some centrally licensed software is also available. If you are interested in using any of this software and need more information, or would like us to consider new software, please contact HPC support.

NameDescriptionLicence
AbaqusFinite Element AnalysisLicensed via Faculty of Engineering
AnsysEngineering Simulation, including Fluid Dynamics (Fluent,CFX)Licensed via Faculty of Engineering
BioperlBiology perl codePerl Artistic Licence
CASTEPPackage to calculate properties of materials at atomic levelAcademic licence available
ClustalwDNA and protein sequence alignment program
/software/clustalw/LICENSE
ComsolModelling and Simulation in EngineeringLicensed via Faculty of Engineering
EmbossMolecular Biology Software SuiteGNU GPL and LPGL
GaussianElectronic Structure ModellingLicensed via Schools of Chemistry and Pharmacy
GromacsMolecular DynamicsGNU GPL
LsdynaDynamic Finite Element AnalysisLicensed via Faculty of Engineering
Materials StudioMaterials Modelling and SimulationLicensed via Nottingham Nanotechnology Centre
MatlabNumerical ComputationLicensed by IS
MeepModelling for Electromagnetic systemsGNU GPL
MolproMolecular electonic structure calculationsLicensed via School of Chemistry
MrBayesBayesian inference of PhylogenyGNU GPL
MUMPSSparse matrix solver
/software/MUMPS_4.9/LICENSE
NAGNumerical library and compilerLicensed by IS
NAMDMolecular Dynamics
/software/NAMD/license.txt
OctaveNumerical ComputationGNU GPL
PETScScientific Computational Toolkit
/software/petsc/LICENSE
RStatistical ComputingGNU GPL
ScilabNumerical ComputationCeCILL
SiestaElectronic structure calculations (DFT)
/software/siesta/siesta_computing_centre_licence
StataData Analysis and StatisticsLicensed via School of Economics

For information on IS software licences, please check the IS software library.