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 2025a, 2024a, 2023a, 2022a module spider foss
gfbf 2025a, 2024a, 2023a module spider gfbf gfbf is a subset of foss (no OpenMPI)
gompi 2025a, 2024a, 2023a module spider gompi gompi is subset of foss (with OpenMPI)
intel 2025a, 2024a, 2023a, 2022a module spider intel 
graph LR
  A[GCCcore] --> |binutils| B[GCC];
  A --> |binutils| C[intel-compilers];
  B --> |OpenMPI| E[gompi];
  C --> |impi| F[iimpi];
  B --> |"FlexiBLAS (incl. LAPACK) + FFTW"| D[gfbf];
  D --> |OpenMPI + ScaLAPACK| G[foss];
  E --> |FlexiBLAS + FFTW + ScaLAPACK| G[foss];
  F --> |imkl| Z[intel];
  C --> |imkl| H[iimkl];
  H --> |impi| Z[intel];
module load foss/2025a 
$ module list

Currently Loaded Modules:
     1) GCCcore/14.2.0
     2) zlib/1.3.1-GCCcore-14.2.0
     3) binutils/2.42-GCCcore-14.2.0
     4) GCC/14.2.0
     5) numactl/2.0.19-GCCcore-14.2.0
     6) XZ/5.6.3-GCCcore-14.2.0
     7) libxml2/2.13.4-GCCcore-14.2.0
     8) libpciaccess/0.18.1-GCCcore-14.2.0
     9) hwloc/2.11.2-GCCcore-14.2.0
    10) OpenSSL/3
    11) libevent/2.1.12-GCCcore-14.2.0
    12) UCX/1.18.0-GCCcore-14.2.0
    13) libfabric/2.0.0-GCCcore-14.2.0
    14) PMIx/5.0.6-GCCcore-14.2.0
    15) PRRTE/3.0.8-GCCcore-14.2.0
    16) UCC/1.3.0-GCCcore-14.2.0
    17) OpenMPI/5.0.7-GCC-14.2.0
    18) OpenBLAS/0.3.29-GCC-14.2.0
    19) FlexiBLAS/3.4.5-GCC-14.2.0
    20) FFTW/3.3.10-GCC-14.2.0
    21) gompi/2025a
    22) FFTW.MPI/3.3.10-gompi-2025a
    23) ScaLAPACK/2.2.2-gompi-2025a-fb
    24) foss/2025a
module load gfbf/2025a 
$ module list

Currently Loaded Modules:
     1) GCCcore/14.2.0
     2) zlib/1.3.1-GCCcore-14.2.0
     3) binutils/2.42-GCCcore-14.2.0
     4) GCC/14.2.0
     5) OpenBLAS/0.3.29-GCC-14.2.0
     6) FlexiBLAS/3.4.5-GCC-14.2.0
     7) FFTW/3.3.10-GCC-14.2.0
     8) gfbf/2025a
module load intel/2025a 
$ module list

Currently Loaded Modules:
     1) GCCcore/14.2.0
     2) zlib/1.3.1-GCCcore-14.2.0
     3) binutils/2.42-GCCcore-14.2.0
     4) intel-compilers/2025.1.1
     5) numactl/2.0.19-GCCcore-14.2.0
     6) UCX/1.18.0-GCCcore-14.2.0
     7) impi/2021.15.0-intel-compilers-2025.1.1
     8) imkl/2025.1.0
     9) iimpi/2025a
    10) imkl-FFTW/2025.1.0-iimpi-2025a
    11) intel/2025a

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 2.10.2-gompi-2024a ADIOS2
Amber 24.0-foss-2022a-AmberTools-24.0-CUDA-11.7.0
24.0-foss-2024a-AmberTools-24.0		 Amber
Blender 4.5.3-linux-x86_64-CUDA-12.8.0 Blender Yes
CP2K 2023.1-foss-2023a CP2K
dask 2025.5.1-gfbf-2025a dask
git 2.50.0-GCCcore-14.2.0 git
git-lfs 3.6.1 git-lfs
GROMACS 2025.2-foss-2025a GROMACS
Julia 1.11.7 Julia Yes via Pluto
LAMMPS 29Aug2024_update2-foss-2024a-kokkos
29Aug2024_update2-foss-2024a-kokkos-CUDA-12.6.0		 LAMMPS
MCL 22.282-GCCcore-14.2.0 MCL
NetLogo 7.0.0
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 5.0.4-gompi-2023a
6.0.1-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-2023a
7.4-foss-2024a		 QuantumESPRESSO
R 4.4.2-gfbf-2024a
4.5.0-gfbf-2024a		 R Yes via Rstudio
Rstudio 2023.12.1+402-gfbf-2023a-Java-11-R-4.4.1 RStudio Yes
Siesta 5.2.2-foss-2024a Siesta
SlurmViewer 1.0.4-GCCcore-13.3.0 slurm-SlurmViewer
Spark 3.5.0-foss-2023a
3.5.1-foss-2023a-Java-17		 Spark
VSCode 1.104.2
1.103.2		 VSCode Yes via CodeServer