Instructions for using software at PDC
PDC publishes information about what software are available at our resources, together with what version of the software is installed.
Within this documentation you can also find information on How to use said software at our resources.
Requesting new software
If you want to use software that is not currently installed, then you can either install it yourself by following the instructions on this page or our support pages, or contact PDC Support
Disclaimer
PDC takes no responsibility for the correctness of results produced with the binaries. Always evaluate the binaries against known results for the systems and properties you are investigating before using the binaries for production jobs.
Note
Please be aware that instructions on how to use are described per software and does not always include the correct version information on example scripts. Please correct it accordingly by listing the versions on the cluster or looking at the version information on the software page.
Installed software
| Software | Cluster | Versions |
|---|---|---|
| Abaqus | Dardel/cpe23.12 | 2025, 2024, 2021, 2019 |
| Abinit | Dardel/cpe23.12 | 10.0.5, 9.10.3 |
| Dardel/cpe23.03 | 9.10.3 | |
| Amber | Dardel/cpe23.12 | 22, 24 |
| Ansys-fluent | Dardel/cpe23.12 | 24.2, 23.1, 21.2 |
| Comsol | Dardel/cpe23.12 | 6.3, 6.2, 6.1, 6.0, 5.6 |
| Cosma | Dardel/cpe23.12 | 2.6.6 |
| Dardel/cpe23.03 | 2.6.6 | |
| Dardel-GPU/cpe23.03.gpu | 2.6.6 | |
| Dardel-GPU/cpe23.12.gpu | 2.6.6 | |
| Cp2k | Dardel/cpe23.12 | 2024.3, 2024.1 |
| Dardel-GPU/cpe23.12.gpu | 2024.3, 2024.1 | |
| Cubelib | Dardel/cpe23.12 | 4.8.2-cpeCray, 4.8.2-cpeGNU |
| Elk | Dardel/cpe23.12 | 10.0.15, 9.5.14 |
| Dardel/cpe23.03 | 9.2.12 | |
| Elpa | Dardel/cpe23.12 | 2023.05.001 |
| Dardel/cpe23.03 | 2023.05.001 | |
| Fenics | Dardel/cpe23.03 | 0.7.3 |
| Fleur | Dardel/cpe23.12 | MaX7.0 |
| Dardel/cpe23.03 | MaX7.0 | |
| Gamess | Dardel/cpe23.12 | 2021R2 |
| Gromacs | Dardel/cpe23.12 | 2021.6-cpeCray-23.12-plumed-2.7.2, 2024.1-cpeGNU-23.12, 2022.5-cpeCray-23.12, 2022-cpeCray-23.12, 2024.2-cpeGNU-23.12, 2024.2-cpeGNU-23.12-plumed-2.9.2 |
| Dardel/cpe23.03 | 2024.1-cpeGNU-23.03 | |
| Dardel-GPU/cpe23.03.gpu | 2024.1-cpeGNU-23.03-gpu-without-heffte | |
| Dardel-GPU/cpe23.12.gpu | 2024.1-cpeGNU-23.12-gpu-without-heffte, 2024.2-cpeGNU-23.12-gpu, 2024.2-cpeGNU-23.12-gpu-plumed-2.9.2 | |
| Gromosxx | Dardel/cpe23.03 | 1.6.0-OMP |
| Heffte | Dardel-GPU/cpe23.03.gpu | 2.4.0 |
| Dardel-GPU/cpe23.12.gpu | 2.4.0 | |
| Julia | Dardel/cpe23.12 | 1.10.2 |
| Dardel/cpe23.03 | 1.10.2, 1.9.3 | |
| Lammps | Dardel/cpe23.12 | 2Aug2023, 29Aug2024 |
| Libxc | Dardel/cpe23.12 | 6.2.2 |
| Linaro-forge | Dardel/cpe23.12 | 24.0 |
| Mathematica | Dardel/cpe23.12 | 14.0.0 |
| Matlab | Dardel/cpe23.12 | r2024a, r2024b |
| Dardel/cpe23.03 | r2024a | |
| Mpi4py | Dardel/cpe23.12 | 3.1.6 |
| Namd | Dardel-GPU/cpe23.12.gpu | 3.0b-rocm |
| Dardel/cpe23.12 | 3.0b | |
| Dardel/cpe23.03 | 3.06b, 2.14 | |
| Nwchem | Dardel/cpe23.12 | 7.0.2 |
| Octopus | Dardel/cpe23.12 | 14.0 |
| Dardel/cpe23.03 | 14.0 | |
| Openfoam | Dardel/cpe23.12 | 2406, 2312, 2012, 11, 10, 9, 7, 6 |
| Orca | Dardel/cpe23.12 | 6.0.0, 5.0.3, 5.0.4 |
| Paraview | Dardel/cpe23.12 | 5.12.0 |
| Plumed | Dardel/cpe23.12 | 2.9.0, 2.9.2 |
| Python | Dardel/cpe23.12 | 2024.02-1 |
| Pytorch | Dardel/cpe23.12 | 2.0.1 |
| Quantum-espresso | Dardel/cpe23.12 | 7.3 |
| Dardel/cpe23.03 | 7.2, 7.3 | |
| R | Dardel/cpe23.12 | 4.4.1, 4.1.2 |
| Rspt | Dardel/cpe23.12 | 20231004, 20250228 |
| Dardel/cpe23.03 | 20231004 | |
| Scalasca | Dardel/cpe23.12 | 2.6.1-cpeCray, 2.6.1-cpeGNU |
| Score-p | Dardel/cpe23.12 | 8.4-cpeGNU, 8.4-cpeCray |
| Singularity | Dardel/cpe23.03 | 4.1.1 |
| Spfft | Dardel/cpe23.12 | 1.1.0 |
| Dardel/cpe23.03 | 1.0.6 | |
| Dardel-GPU/cpe23.03.gpu | 1.0.6 | |
| Dardel-GPU/cpe23.12.gpu | 1.1.0 | |
| Spla | Dardel/cpe23.12 | 1.5.5 |
| Dardel/cpe23.03 | 1.5.5 | |
| Dardel-GPU/cpe23.03.gpu | 1.5.5 | |
| Dardel-GPU/cpe23.12.gpu | 1.5.5 | |
| Starccm+ | Dardel/cpe23.12 | 19.06.008-dp, 19.04.007-dp, 19.02.013-dp, 19.02.009-dp, 19.02.009, 18.06.006-dp, 18.02.008-dp, 18.02.008, 17.06.008-dp, 17.06.008 |
| Dardel/cpe23.03 | 19.02.009 | |
| Tensorflow | Dardel/cpe23.12 | 2.13 |
| Uppasd | Dardel/cpe23.12 | 6.0.2 |
| Dardel/cpe23.03 | 6.0.2 | |
| Vasp | Dardel/cpe23.12 | 6.3.2-wannier90, 6.4.3-vanilla, 5.4.4-wannier90, 6.2.1-vanilla, 6.3.2-vanilla, 6.4.2-vanilla, 6.2.1-wannier90, 6.2.1-vtst-dftd4, 5.4.4-vanilla, 5.4.4-vtst |
| Veloxchem | Dardel/cpe23.12 | 1.0rc3 |
| Visit | Dardel/cpe23.12 | 3.4.0, 3.3.3 |
| Vmd | Dardel/cpe23.03 | 1.9.3 |
| Wannier90 | Dardel/cpe23.12 | 3.1.0 |