Software A-Z

The following applications are available via the module command and can be loaded via  module add <modulename>. For more details on module command please look at the modules and user environment page. Where noted you may need to run module load institution before loading the module, whereinstitution is yorkliverpool etc.

  • Applications
  • Compilers
  • Libraries
  • Infrastructure
Application Version(s) Description Licensing Arrangements
Amber(leeds module)12Molecular modelling and simulationInstitutional site license
Blast (york module)2.2.27+BioinformaticsPublic domain
CASTEP (sheffield module)6.1.1Plane Wave DFT PackageFree for UK Academics after Registration
DL_Poly 4.04 (sheffield module)2013-01Molecular Dynamics SimulationFree for Registered Academic Users
DL_Poly Classic (sheffield module)2010Molecular Dynamics SimulationFree for use under license conditions
eclipse (york module)Juno SR-1Integrated Development Environmenteclipse
GROMACS (leeds module)4.5.6Molecular dynamics packageGNU GPL version 2
gs2 (york module)2013-01-22Tokamak plasma physicsUnknown
ipm (leeds module)0.983MPI program profilerGNU GPL version 2.1
lammps (york module)LAMMPSMolecular dynamics simulatorGPLv2
molpro (leeds module)2010.1.26Molecular dynamics packageLicense required - please supply your own
ngspice (york module)2.4Circuit simulationMix of BSD and GPL
openFOAM (manchester module (to be tested))2.1.1 (built against gcc 4.7.1)CFD modelling softwareOpensource
Git (2012-12-20)
R2.15.1Statistical computing and graphicsGNU GPL version 2
xparser (york module)2009-10Agent based modelling (FLAME)Unknown
Compiler Version(s) Description Licensing Arrangements
gnu4.4.6GNU GCC compiler suiteGNU GPL version 2
intel12.1.5.339Intel compiler suiteCommercial
java7u4Oracle Java SDKProprietary
LibraryVersion(s)DescriptionLicensing Arrangements
acml5.2.0AMD Core Math Library (optimised BLAS, LAPACK etc.)Proprietary
atlas3.10.0optimised BLAS and LAPACK libraries (inc. LAPACK 3.4.2)Freely distributable
fftw3.3.2Discrete Fourier Transform libraryGNU GPL version 2
3.3.3 (leeds module)
gsl1.15GNU Scientific libraryGNU GPL version 3
hdf51.8.9File format for managing and storing dataProprietary
intelmpi4.1.0.024Intel MPI 2.2 libraryCommercial
mkl10.u3Intel Math Kernel Library (optimised BLAS, LAPACK, etc. )supplied with Intel compilers
mpe21.3.0MPI program profiler
mvapich21.8MPI 2.2 library (MPICH for InfiniBand)Proprietary MVAPICH2 license
mvapich21.9MPI 3.0 libraryProprietary MVAPICH2 license
netcdf4.2.1.1machine-independent data formats that support the creation, access, and sharing of array-oriented scientific dataProprietary
openmpi1.6.1MPI 2.1 libraryProprietary
pgplot5.2.2Device-independent graphics libraryNon-commercial and academic license
cunit (york module)2.1-2C/C++ unit testing frameworkGPLv2
libmboard (york module)0.2.1Agent-based modelling messaging framework?
boost (york module)1.53.0Scientific/mathematics template library for C++. Cf. GSLBoost Software Licence
libuuid (york module)2.22.2Unique identifier (UUID) generation libraryGPLv2
libarchive (york module)3.1.2Archive handling libraryGPLv2
lancasterSoftware installed by University of Lancaster
leedsSoftware installed by University of Leeds
manchesterSoftware installed by University of Manchester
yorkSoftware installed by University of York
licencesSets default licences
sgeSGE batch system
systemLoad system administrator modules
testMake software under test available
userMake the default user modules available

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