Available Software

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.

Building/Using instructions marked by a * marks that the documentation is extracted, and should be compatible, with an earlier version. Do take into account that in these cases the version numbers of modules etc need to be changed.

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Applications

Bioinformatics

Software General information	Cluster	Version How to use	Version Building instructions
nest	Dardel	2.20.2 3.1	2.20.2 3.1 *
phylobayes	Dardel	1.8c	1.8c

Chemistry

Software General information	Cluster	Version How to use	Version Building instructions
ABINIT	Dardel	9.4.1 9.6.2 9.8.4	9.4.1 9.6.2 9.8.4
	Dardel	9.10.3	9.10.3
cp2k	Dardel	8.2 9.1 2022.2	8.2 9.1 2022.2
dftd4	Dardel	3.3.0	3.3.0
gamess	Dardel	2021R2	2021R2
gpaw	Dardel	22.8.0	22.8.0
Libxc	Dardel	5.1.6 5.1.7 6.0.0	5.1.6 5.1.7 6.0.0
NWChem	Dardel	7.0.2	7.0.2
Octopus	Dardel	11.4	11.4
	Dardel	14.0	14.0
ORCA	Dardel	5.0.3 5.0.4	5.0.3 5.0.4
Quantum-ESPRESSO	Dardel	6.7 6.7-openblas 7.1	6.7 6.7-openblas 7.1
	Dardel	7.2 7.3	7.2 7.3
VASP	Dardel	5.4.4-vanilla 5.4.4-vtst 5.4.4-wannier90 6.2.1-vanilla 6.2.1-vtst-dftd4 6.2.1-wannier90 6.3.2-vanilla 6.3.2-wannier90 6.4.2-vanilla	5.4.4-vanilla 5.4.4-vtst 5.4.4-wannier90 6.2.1-vanilla 6.2.1-vtst-dftd4 6.2.1-wannier90 6.3.2-vanilla 6.3.2-wannier90 6.4.2-vanilla
VeloxChem	Dardel	1.0rc3	1.0rc3
	Dardel	1.0rc3	1.0rc3

Fluid Dynamics

Software General information	Cluster	Version How to use	Version Building instructions
Ansys-CFX	Dardel	21.2	21.2
Ansys-Fluent	Dardel	21.2	21.2
CONVERGE	Dardel	3.0.23 3.0.25 3.1.8	3.0.23 3.0.25 3.1.8
dolfin-hpc	Dardel	0.9.5	0.9.5
LS-DYNA	Dardel	9.2 13.0	9.2 13.0
OpenFOAM	Dardel	6 7 9 2012 2106	6 7 9 2012 2106
StarCCM	Dardel	17-04-007 17-06-008 18-02-008 19.02.009	17-04-007 17-06-008 18-02-008 19.02.009
	Dardel	19.02.009	19.02.009
TELEMAC	Dardel	v8p4r0	v8p4r0

Molecular Dynamics

Software General information	Cluster	Version How to use	Version Building instructions
Amber	Dardel	18 22	18 22
	Dardel-GPU	22	22
EspressoMD	Dardel	4.1.4	4.1.4
GROMACS	Dardel	2020.7-cpeCray-22.06 2021.3-cpeCray-22.06 2021.6-cpeCray-22.06-plumed-2.7.2 2021.7-cpeCray-22.06 2021-cpeCray-22.06-plumed-2.7.2 2022.1-cpeCray-22.06 2023.2-cpeGNU-22.06 2023-cpeGNU-22.06	2020.7-cpeCray-22.06 2021.3-cpeCray-22.06 2021.6-cpeCray-22.06-plumed-2.7.2 2021.7-cpeCray-22.06 2021-cpeCray-22.06-plumed-2.7.2 2022.1-cpeCray-22.06 2023.2-cpeGNU-22.06 2023-cpeGNU-22.06
	Dardel-GPU	2023.2-cpeGNU-22.06-gpu-without-heffte 2023-cpeGNU-22.06-gpu	2023.2-cpeGNU-22.06-gpu-without-heffte 2023-cpeGNU-22.06-gpu
	Dardel	2024.1-cpeGNU-23.03	2024.1-cpeGNU-23.03
	Dardel-GPU	2024.1-cpeGNU-23.03-gpu-without-heffte	2024.1-cpeGNU-23.03-gpu-without-heffte
LAMMPS	Dardel	15Sep2022 23Jun2022 20200721 20210310	15Sep2022 23Jun2022 * 20200721 * 20210310 *
NAMD	Dardel	2.14	2.14
	Dardel	2.14 3.06b	2.14 3.06b
plumed	Dardel	2.7.2 2.8.0	2.7.2 2.8.0

Physics

Software General information	Cluster	Version How to use	Version Building instructions
ABINIT	Dardel	9.4.1 9.6.2 9.8.4	9.4.1 9.6.2 9.8.4
	Dardel	9.10.3	9.10.3
cp2k	Dardel	8.2 9.1 2022.2	8.2 9.1 2022.2
dftd4	Dardel	3.3.0	3.3.0
Elk	Dardel	8.7.10 8.8.26	8.7.10 8.8.26
	Dardel	9.2.12	9.2.12
FLEUR	Dardel	MaX7.0	MaX7.0
Libint-CP2K	Dardel	2.6.0	2.6.0
Libxc	Dardel	5.1.6 5.1.7 6.0.0	5.1.6 5.1.7 6.0.0
Quantum-ESPRESSO	Dardel	6.7 6.7-openblas 7.1	6.7 6.7-openblas 7.1
	Dardel	7.2 7.3	7.2 7.3
RSPt	Dardel	20211004 20230120	20211004 20230120
	Dardel	20230120	20230120
Spglib	Dardel	1.16.0 1.16.1 1.16.3	1.16.0 1.16.1 1.16.3
UppASD	Dardel	6.0.2	6.0.2
Vampire	Dardel	6.0	6.0
VASP	Dardel	5.4.4-vanilla 5.4.4-vtst 5.4.4-wannier90 6.2.1-vanilla 6.2.1-vtst-dftd4 6.2.1-wannier90 6.3.2-vanilla 6.3.2-wannier90 6.4.2-vanilla	5.4.4-vanilla 5.4.4-vtst 5.4.4-wannier90 6.2.1-vanilla 6.2.1-vtst-dftd4 6.2.1-wannier90 6.3.2-vanilla 6.3.2-wannier90 6.4.2-vanilla
Wannier90	Dardel	3.1.0	3.1.0

Other Applications

Software General information	Cluster	Version How to use	Version Building instructions
Abaqus	Dardel	2019 2021	2019 2021
cdo	Dardel	1.9.19	1.9.19
Comsol	Dardel	5.6 6.0 6.1 6.2	5.6 6.0 6.1 6.2

Tools

Mathematics

Software General information	Cluster	Version How to use	Version Building instructions
FEniCS	Dardel	2019.1.0	2019.1.0
	Dardel	0.7.3	0.7.3
gams	Dardel	25.1.3 37.1.0	25.1.3 37.1.0
mathematica	Dardel	13.0.0 13.0.1	13.0.0 13.0.1
matlab	Dardel	r2020b r2021b r2022b r2023a	r2020b r2021b r2022b r2023a
	Dardel	r2024a	r2024a
R	Dardel	4.1.1.1 4.1.2	4.1.1.1 4.1.2

Visualization

Software General information	Cluster	Version How to use	Version Building instructions
gnuplot	Dardel	5.2.8 5.4.2	5.2.8 5.4.2
FFmpeg	Dardel	4.3.3 5.0.1	4.3.3 5.0.1
Ghostscript	Dardel	9.55.0	9.55.0
GTS	Dardel	0.7.6	0.7.6
ImageMagick	Dardel	7.1.0-32	7.1.0-32
Paraview	Dardel	5.9.1 5.11.1	5.9.1 5.11.1
VisIt	Dardel	3.1.4 3.2.2 3.3.3	3.1.4 3.2.2 3.3.3
vmd	Dardel	1.9.3	1.9.3

Other Tools

Software General information	Cluster	Version How to use	Version Building instructions
cdo	Dardel	1.9.19	1.9.19
CMake	Dardel	3.21.2	3.21.2
CVS	Dardel	1.11.23	1.11.23
extrae	Dardel	4.0.4-cpeGNU	4.0.4-cpeGNU
hwloc	Dardel	2.6.0	2.6.0
kornshell	Dardel	2012.8.1	2012.8.1
nano	Dardel	5.8	5.8
openafs	Dardel	1.8.8	1.8.8
pFUnit	Dardel	4.4.1	4.4.1
ReFrame	Dardel	3.8.0	3.8.0
Scalasca	Dardel	2.6	2.6
screen	Dardel	4.8.0	4.8.0
Score-P	Dardel	7.0	7.0
singularity	Dardel	3.10.4	3.10.4
	Dardel	4.1.1	4.1.1
tmux	Dardel	2.6 3.2a 3.3	2.6 3.2a 3.3

Compilers and Languages

Software General information	Cluster	Version How to use	Version Building instructions
EasyBuild	Dardel	4.4.2	4.4.2
Java	Dardel	17.0.4	17.0.4
Julia	Dardel	1.8.2	1.8.2
	Dardel	1.9.3 1.10.2	1.9.3 1.10.2
Chapel	Dardel	1.23.1	1.23.1
python	Dardel	3.8.17	3.8.17

Debugging tools

Software General information	Cluster	Version How to use	Version Building instructions
arm-forge	Dardel	21.1	21.1

Performance tools

Software General information	Cluster	Version How to use	Version Building instructions
arm-forge	Dardel	21.1	21.1

Libraries

Software General information	Cluster	Version How to use	Version Building instructions
boost	Dardel	1.75.0 1.77.0	1.75.0 1.77.0
cosma	Dardel	2.6.6	2.6.6
	Dardel-GPU	2.6.6	2.6.6
CubeLib	Dardel	4.6-cpeGNU	4.6-cpeGNU
eigen	Dardel	3.3.9	3.3.9
ELPA	Dardel	2021.11.001 2022.11.001.rc1	2021.11.001 2022.11.001.rc1
	Dardel	2023.05.001	2023.05.001
GLPK	Dardel	4.65 5.0-update	4.65 5.0-update
gmp	Dardel	6.2.1-cpeGNU-21.11	6.2.1-cpeGNU-21.11
gsl	Dardel	2.7	2.7
heFFTe	Dardel-GPU	2.4.0	2.4.0
Libvori	Dardel	220621	220621
Libxsmm	Dardel	1.16.2 1.17	1.16.2 1.17
METIS	Dardel	5.1.0	5.1.0
mpfr	Dardel	4.1.0-cpeGNU-21.11	4.1.0-cpeGNU-21.11
mpi4py	Dardel	3.1.3 3.1.4	3.1.3 3.1.4
MUMPS	Dardel	5.4.0	5.4.0
ParMETIS	Dardel	4.0.3	4.0.3
spfft	Dardel	1.0.6	1.0.6
	Dardel-GPU	1.0.6	1.0.6
spla	Dardel	1.5.5	1.5.5
	Dardel-GPU	1.5.5	1.5.5
tensorflow	Dardel	2.10	2.10
	Dardel	2.12	2.12
TF_ZenDNN	Dardel	TF_v2.7_ZenDNN_v3.2_Python_v3.8	TF_v2.7_ZenDNN_v3.2_Python_v3.8
PyTorch	Dardel	1.13.0	1.13.0

Uncategorized software

Software General information	Cluster	Version How to use	Version Building instructions
GROMOSXX	Dardel	1.6.0-OMP	1.6.0-OMP