Non commercial software modules

The HPC Umbrella Cluster uses the concept of Toolchains to build software, it includes specific Compilers and an MPI implementation, in case of foss also Open/FlexiBLAS, ScaLAPACK and FFTW(MPI) are included for example.

Toolchain Name Supported Versions Module(s) Remarks
foss 2024a, 2023a, 2022a module spider foss
gfbf 2024a, 2023a module spider gfbf gfbf is a subset of foss (no OpenMPI)
intel 2024a, 2023a, 2022a module spider intel
module load foss/2024a
$ module list

Currently Loaded Modules:
   1) GCCcore/13.3.0
   2) zlib/1.3.1-GCCcore-13.3.0
   3) binutils/2.42-GCCcore-13.3.0
   4) GCC/13.3.0
   5) numactl/2.0.18-GCCcore-13.3.0
   6) XZ/5.4.5-GCCcore-13.3.0
   7) libxml2/2.12.7-GCCcore-13.3.0
   8) libpciaccess/0.18.1-GCCcore-13.3.0
   9) hwloc/2.10.0-GCCcore-13.3.0
   10) OpenSSL/3
   11) libevent/2.1.12-GCCcore-13.3.0
   12) UCX/1.16.0-GCCcore-13.3.0
   13) libfabric/1.21.0-GCCcore-13.3.0
   14) PMIx/5.0.2-GCCcore-13.3.0
   15) PRRTE/3.0.5-GCCcore-13.3.0
   16) UCC/1.3.0-GCCcore-13.3.0
   17) OpenMPI/5.0.3-GCC-13.3.0
   18) OpenBLAS/0.3.27-GCC-13.3.0
   19) FlexiBLAS/3.4.4-GCC-13.3.0
   20) FFTW/3.3.10-GCC-13.3.0
   21) gompi/2024a
   22) FFTW.MPI/3.3.10-gompi-2024a
   23) ScaLAPACK/2.2.0-gompi-2024a-fb
   24) foss/2024a
module load gfbf/2024a
$ module list

Currently Loaded Modules:
   1) GCCcore/13.3.0
   2) zlib/1.3.1-GCCcore-13.3.0
   3) binutils/2.42-GCCcore-13.3.0
   4) GCC/13.3.0
   5) OpenBLAS/0.3.27-GCC-13.3.0
   6) FlexiBLAS/3.4.4-GCC-13.3.0
   7) FFTW/3.3.10-GCC-13.3.0
   8) gfbf/2024a
module load intel/2024a
$ module list

Currently Loaded Modules:
   1) GCCcore/13.3.0
   2) zlib/1.3.1-GCCcore-13.3.0
   3) binutils/2.42-GCCcore-13.3.0
   4) intel-compilers/2024.2.0
   5) numactl/2.0.18-GCCcore-13.3.0
   6) UCX/1.16.0-GCCcore-13.3.0
   7) impi/2021.13.0-intel-compilers-2024.2.0
   8) imkl/2024.2.0
   9) iimpi/2024a
   10) imkl-FFTW/2024.2.0-iimpi-2024a
   11) intel/2024a

Using the toolchain(s) the following software is avaiable. When the module is loaded the toolchain it depends on is automatically loaded.

Name Supported Versions Module(s) https://hpc.tue.nl
ADIOS2 2.10.1-gompi-2023a ADIOS2
Blender 4.4.0-linux-x86_64-CUDA-12.1.1. Blender Yes
CP2K 2023.1-foss-2023a CP2K
dask 2024.9.1-gfbf-2024a dask
git 2.49.0-nodocs git
git-lfs 3.6.1 git-lfs
GROMACS 2023.3-foss-2023a GROMACS
Julia 1.11.4 Julia Yes via Pluto
LAMMPS 2Aug2023_update2-foss-2023a-kokkos LAMMPS
MCL 22.282-GCCcore-12.3.0 MCL
NetLogo 6.4.0-64 NetLogo Yes
OpenFOAM (ESI) v2206-foss-2022a
v2312-foss-2023a
v2406-foss-2023a
OpenFOAM
OpenFOAM (Foundation) 10-foss-2023a
11-foss-2023a
12-foss-2023a
OpenFOAM
OpenModelica 1.22.0-foss-2022a OpenModelica
OpenSceneGraph 3.6.5-foss-2022a OpenSceneGraph Yes via Interactive Desktop
ORCA 6.0.1-gompi-2023a
5.0.4-gompi-2023a
ORCA
ParaView 5.12.1-foss-2023a ParaView Yes
QCG-PilotJob 0.14.1-gfbf-2024a QCG-PilotJob
QuantumESPRESSO 7.3.1-foss-2024a QuantumESPRESSO
R 4.4.1-gfbf-2023a
4.4.2-gfbf-2024a
R Yes via Rstudio
Rstudio 2023.12.1+402-gfbf-2023a-Java-11-R-4.4.1 RStudio Yes
SlurmViewer 1.0.3-GCCcore-12.3.0 slurm-SlurmViewer
Spark 3.5.0-foss-2023a
3.5.1-foss-2023a-Java-17
Spark
VSCode 1.98.0
1.98.2
VSCode Yes via CodeServer