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 | |
| Amber | 24.0-foss-2022a-AmberTools-24.0-CUDA-11.7.0 24.0-foss-2024a-AmberTools-24.0 | Amber | |
| Blender | 4.4.1-linux-x86_64-CUDA-12.6.0 | 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 | 1.11.5 | 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 | 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 |
| 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 | 1.98.2 1.99.3 | VSCode | Yes via CodeServer |