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 email us at support@ichec.ie or log a query at helpdesk.ichec.ie. ICHEC can also assist you with installing packages for your own use.

While we are trying out best to offer last versions of the software at moments we may be behind. If you require a newer version please ask us for it. Also please note that install a per user/project packages with special licensing, like Comsol, IDL, CRYSTAL, GAMESS-UK and other.

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

Computational Physics/Chemistry
Package name Fionn
ABINIT 7.6.1
AMBER 11 / 12
CP2K r13225
DL_POLY 4.05.1/4.06.1
GAMESS-US 13
Gaussian 09b01/09d01
GROMACS 4.5.7 / 4.6.3 / 4.6.5 / 5.0
LAMMPS 11Nov13 / 1Feb14
NAMD 2.9 / 2.10
NWChem 6.3
Octopus 4.1.1
openmx 3.7.8
PLUMED 2.0.2
Quantum Espresso 5.0.3-rev10599/5.1-rev11071/5.1-rev11200
siesta 3.2-pl3
Turbomole 5.10
VASP 5.3.3
VMD 1.9.2a34
XCrySDen 1.5.53
Engineering Applications
Package name Fionn
ABAQUS 6.11-1 / 6.13-2
ANSYS 14.5 / 15.0
OpenFOAM 2.2.2
OpenFOAM Extend 3.0
Bioinformatics packages
Package name Fionn
Bali-phy 2.3.4
bam-readcount 0.6.0
bamtools 2.3.0
bedtools 2.21.0
BioPerl 1.6.923
blat 35
Biopython 1.63
Bisket 2.4.0
BOWTIE 2.1.0 / 1.0.0
BWA 0.7.5a
Cufflinks 2.2.1
cutadapt 1.3
Defuse 6.6.0
DendroPy 3.12.0
EMBOSS 6.6.0
ExaML 2.0.4
Exonerate 2.2.0
fasta-splitter 0.2.0
FastQC 0.2.0
FastX-Toolkit 0.2.0
Gmap 2014-08-04
HMMER 3.1b1
HTSeq 0.5.4p5
infernal 1.1.1
jModeltest 2.1.4
MAFFT 7.127
MaSuRCA 3.2.3-rev855 / 3.2.2
MCL 3.2.3-rev855 / 3.2.2
MrBayes 3.2.3-rev855 / 3.2.2
NCBI-BLAST 2.2.28+
PAML 4.4e / 4.7a
Prokka 1.10
PhyloBayes 3.3a / 1.5a (MPI)
SAMTOOLS 0.1.19
ScientificPython 2.8.1
velvet and VelvetOptimiser 1.2.10 + 2.2.5
Climate & Forecasting packages
Package name Fionn
Afterburner 4.7.0
CDO 1.6.2
ecaccess 4.0.1
EMOS 4.8.0
grib-api 1.11.0
HDF-EOS5 1.14
NCL 6.1.2
NCO 4.3.7
Ncview 2.1.2
PROJ4 1.14
udunits 2.1.24
Analysis and visualisation tools
Package name Fionn
Gnuplot 4.6.4
Grace 5.1.23
Octave 3.6.4
R 3.0.2
SNAP 2.2
Communication libraries
Package name Fionn
Intel MPI 4.1.1.036 / 4.1.3.048 / 5.0.1
sgi-mpt 2.08
I/O libraries
Package name Fionn
CFITSIO 3.25
HDF4 4.2.9
HDF5 1.8.11
NetCDF 4.3.0
Numerical libraries and algorithmic applications
Package name Fionn
Boost 1.55.0
Caffe May_2014
FFTW3 3.3.3/3.3.4
GSL 1.16
Intel MKL 11.1.0 / 11.1.3 / 11.2.0
libsequence 1.8.2
Magma 2.19-4 / 2.20-5 (Contact ICHEC for access)
Magma-libs 1.4.1 (gpu), 1.1 (mic)
Python
Package name Fionn
basemap 1.0.7 (python2, python3)
matplotlib 1.3.1 (python2, python3)
NumPy 1.8.0 (python2, python3)
Python 2.7.6 / 3.3.2 / 3.4.0
SciPy 0.13.0 (python2, python3)
Programming tools
Package name Fionn
ALLINEA 4.1 / 4.1.1 / 4.2 / 4.2.1
Bash 3.2.51 / 4.3.11
cmake 2.8.12
Gawk 3.1.8 / 4.1.1
GCC4 Compilers 4.3.4 / 4.7.3 / 4.8.3 / 4.9.0 / 4.9.1
Git 1.6.0.2 / 1.8.4.3
Intel Compilers 14.0.0 / 14.0.3 / 15.0.0
Intel Trace Analyzer 8.1.3.037 / 8.1.4.045 / 9.0.1
JasPer 1.900.1
Java SDK IBM Java 1.6.0 / Oracle Java 1.7.0_45 / Oracle Java 1.7.0_51 / Oracle Java 1.8.0
OpenJPEG 1.5.0
NVIDIA CUDA Toolkit 5.0 / 5.5 / 6.5
Szip 2.1

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