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

We do our best to offer latest versions of all required software. If you require a newer version please ask us for it. Also please note that installations per user/project packages with special licensing, (like Comsol, IDL, CRYSTAL, GAMESS-UK and other) are also available.

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.


Package Name

Software Version(s)

ABAQUS 6.14-6 / 2017 / 2018 /2019
ABINIT 8.10.1/8.10.2
AMBER 16 / 18
ANSYS - CFX, Fluent, Mechanical 19.2 / 2019R3 / 2020R1 /2021R1
CMAKE3: Cross-platform make 3.12.3
CP2K 6.1.0 / 7.1
DL_POLY 4.09
GAMESS-US aug2.R2.2018
Gaussian 09e01 / 16b01
GNU Parallel 20190722
GROMACS 2018.3
GSL gcc/2.5
NAMD 2.13b1
OpenFOAM 6
ParaView 5.7.0
Python / Conda 2.7.5 / 2.7.15 / 3.7.0
Quantum Espresso 6.3
R 3.4.4 / 3.5.1
Siesta 4.0.2
Singularity 2.6.0
VASP 5.4.4
Voro++ 0.4.6

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