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 4.2.0-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 1.11.1 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
Spark 3.5.0-foss-2023a
3.5.1-foss-2023a-Java-17
Spark
VSCode 1.93.1
1.95.1
VSCode Yes via codeserver