Logo of Science Foundation Ireland  Logo of the Higher Education Authority, Ireland7 CapacitiesGPGPU Research Projects
Ireland's High-Performance Computing Centre | ICHEC
Home | News | Infrastructure | Outreach | Services | Research | Support | Education & Training | Consultancy | About Us | Login

Software Packages

ICHEC provides access to a large range of compilers, libraries and high-performance computing packages on it's supercomputer systems. If you are interested in using software which is not on the list it is best to contact us with your query. ICHEC can also assist you with installing packages for your own use.

Please note this list is not exhaustive and does not include many packages one might take for granted, e.g. perl. Certain packages are installed on a request basis and so may not yet have been requested on a given system.

Software List

Misc. Application packages
Package name Fionn
ABAQUS 6.11-1 / 6.13-2
ANSYS 14.5 / 15.0
CP2K r13225
Quantum Espresso 5.0.3-rev10599
Gaussian 09d01
NWChem 6.3
Octave 3.6.4
Octopus 4.1.1
OpenFOAM 2.2.2
VASP 5.3.3
Molecular Dynamics packages
Package name Fionn
DL_POLY 4.05.1
GROMACS 4.5.7 / 4.6.3
LAMMPS 11Nov13 / 1Feb14
NAMD 2.9 / 2.10
Bioinformatics packages
Package name Fionn
NCBI-BLAST 2.2.28+
PAML 4.4e / 4.7a
Climate & Forecasting packages
Package name Fionn
Afterburner 4.7.0
CDO 1.6.2
ecaccess 4.0.1
EMOS 4.8.0
Ncview 2.1.2
NCL 6.1.2
HDF-EOS5 1.14
PROJ4 1.14
grib-api 1.11.0
NCO 4.3.7
udunits 2.1.24
Analysis and visualisation tools
Package name Fionn
Gnuplot 4.6.4
R 3.0.2
XCrySDen 1.5.53
Communication libraries
Package name Fionn
Intel MPI 4.1.1 (Intel Cluster Studio 2013-sp1)
sgi-mpt 2.08
I/O libraries
Package name Fionn
HDF4 4.2.9
HDF5 1.8.11
NetCDF 4.3.0
CFITSIO 3.25
Numerical libraries
Package name Fionn
FFTW3 3.3.3
GSL 1.16
Boost 1.55.0
Intel MKL 11.1.0 (Intel Cluster Studio 2013-sp1)
PETSc Contact ICHEC
Computational Physics
Package name Fionn
PLUMED 2.0.2
Python
Package name Fionn
Python 2.7.6 / 3.3.2
NumPy 1.8.0 (python2, python3)
SciPy 0.13.0 (python2, python3)
matplotlib 1.3.1 (python2, python3)
basemap 1.0.7 (python2, python3)
Programming tools
Package name Fionn
cmake 2.8.12
Git 1.8.4.3
ALLINEA 4.1 / 4.1.1 / 4.2
OpenJPEG 1.5.0
Szip 2.1
JasPer 1.900.1
GCC4 Compilers 4.7.3
Intel Compilers 14.0.0 (Intel Cluster Studio 2013-sp1)
nVidia CUDA Compiler 5.0 / 5.5

ICHEC advises users to benchmark their particular application in order to facilitate running their jobs in an efficient regime.