Software
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 support@ichec.ie 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.
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 / 3.15.1 / 3.15.4 / 3.20.1 |
| CP2K | 6.1.0 / 7.1 |
| CUDA Toolkit | 10 / 10.1.243 / 11.2 / 11.3 / 11.4 |
| DL_POLY | 4.09 |
| GAMESS-US | aug2.R2.2018 |
| Gaussian | 09e01 / 16b01 |
| gcc | 8.2.0 / 9.4.0 |
| GNU Parallel | 20190722 |
| GROMACS | 2018.3 |
| GSL | gcc/2.5 |
| Intel Compiler | 2017u8 / 2019 / 2019u3 / 2019u5 / 2018u4 / 2019u1 / 2019u4 / 2020u4 |
| NAMD | 2.13b1 |
| OpenFOAM | 6 |
| ORCA | 5.0.0 / 5.0.2 / 5.0.3 |
| 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 |
