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 | 2022a 2023a | module avail foss | |
| gfbf | 2023a | module avail gfbf | gfbf is a subset of foss (no OpenMPI) |
| intel | 2022a 2023a | module avail intel |
foss = "Free and Open Source Software" gfbf = "Gcc + FlexiBlas + Fftw"
module load foss/2023a
$ module list
Currently Loaded Modules:
1) GCCcore/12.3.0
2) zlib/1.2.13-GCCcore-12.3.0
3) binutils/2.40-GCCcore-12.3.0
4) GCC/12.3.0
5) numactl/2.0.16-GCCcore-12.3.0
6) XZ/5.4.2-GCCcore-12.3.0
7) libxml2/2.11.4-GCCcore-12.3.0
8) libpciaccess/0.17-GCCcore-12.3.0
9) hwloc/2.9.1-GCCcore-12.3.0
10) OpenSSL/1.1
11) libevent/2.1.12-GCCcore-12.3.0
12) UCX/1.14.1-GCCcore-12.3.0
13) libfabric/1.18.0-GCCcore-12.3.0
14) PMIx/4.2.4-GCCcore-12.3.0
15) UCC/1.2.0-GCCcore-12.3.0
16) OpenMPI/4.1.5-GCC-12.3.0
17) OpenBLAS/0.3.23-GCC-12.3.0
18) FlexiBLAS/3.3.1-GCC-12.3.0
19) FFTW/3.3.10-GCC-12.3.0
20) gompi/2023a
21) FFTW.MPI/3.3.10-gompi-2023a
22) ScaLAPACK/2.2.0-gompi-2023a-fb
23) foss/2023a
module load gfbf/2023a
$ module list
Currently Loaded Modules:
1) GCCcore/12.3.0
2) zlib/1.2.13-GCCcore-12.3.0
3) binutils/2.40-GCCcore-12.3.0
4) GCC/12.3.0
5) OpenBLAS/0.3.23-GCC-12.3.0
6) FlexiBLAS/3.3.1-GCC-12.3.0
7) FFTW/3.3.10-GCC-12.3.0
8) gfbf/2023a
module load intel/2023a
$ module list
Currently Loaded Modules:
1) GCCcore/12.3.0
2) zlib/1.2.13-GCCcore-12.3.0
3) binutils/2.40-GCCcore-12.3.0
4) intel-compilers/2023.1.0
5) numactl/2.0.16-GCCcore-12.3.0
6) UCX/1.14.1-GCCcore-12.3.0
7) impi/2021.9.0-intel-compilers-2023.1.0
8) imkl/2023.1.0
9) iimpi/2023a
10) imkl-FFTW/2023.1.0-iimpi-2023a
11) intel/2023a
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 | 4.3.1-linux-x86_64-CUDA-12.1.1. | Blender | Yes |
| CP2K | 2023.1-foss-2023a | CP2K | |
| dask | 2023.12.1-foss-2023a | dask | |
| GROMACS | 2023.3-foss-2023a | GROMACS | |
| Julia | 1.11.2 | Julia | |
| 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-foss-2023a | QCG-PilotJob | |
| QuantumESPRESSO | 7.3.1-foss-2023a | QuantumESPRESSO | |
| R | 4.4.0-gfbf-2023a 4.4.1-gfbf-2023a | R/ | |
| Rstudio | 2022.07.2+576-foss-2022a-Java-11-R-4.2.1 2023.12.1+402-gfbf-2023a-Java-11-R-4.4.1 | RStudio | Yes |
| SlurmViewer. | 1.0.1-GCCcore-12.3.0 | slurm-SlurmViewer/ | |
| Spark | 3.5.0-foss-2023a 3.5.1-foss-2023a-Java-17 | Spark | |
| VSCode | 1.95.3 | VSCode | Yes via codeserver |