Available applications
47 applications compiled and optimized for the cluster hardware (73 modules
counting versions and CPU/GPU variants), installed in a central catalog and
activated with a single command
(modules, currently
available in Spanish only). The list
corresponds to the actual output of module avail on the cluster, with the
software paths enabled as the manuals explain.
Can't find what you need?
Write to the NOC: if the software can be installed in this
modality, we validate and compile it for your project.
Engines, compilers and libraries
| Application |
Versions |
Purpose |
| GCC |
10.5 · 11.4 · 12.3 |
Optimized C/C++/Fortran compiler |
| NVHPC |
24.3 |
NVIDIA compiler suite and acceleration (PGI) |
| CUDA |
11.5 · 11.8 · 12.4 · 12.8 |
GPU computing platform |
| cuDNN |
8.9.7 |
Neural network acceleration on GPU |
| OpenMPI |
4.1.6 · 4.1.8 |
Message passing across cores and nodes |
| OpenBLAS · ScaLAPACK |
0.3.28 · 2.2.0 |
Fast linear algebra (node and cluster) |
| HDF5 · NetCDF (+Fortran) |
1.14 · 4.9 |
Scientific big-data formats |
| CMake |
4.1.0 |
Building scientific software |
| zlib · libpng · libxml2 · Jasper · libxc |
various |
Support libraries |
| NUMACTL |
2.0.16 |
CPU/memory affinity in parallel jobs |
Machine learning and Python
| Application |
Versions |
Purpose |
| PyTorch |
2.2 (torch 2.10 with CUDA 12) |
Deep learning framework |
| Python |
3.11 |
Base interpreter for data science |
| R · RStudio |
3.6.2 · 4.2.0 |
Statistics and visualization in R (container) |
| Miniconda3 |
3 |
Reproducible Python environments |
| JupyterLab |
3.11 |
Interactive notebooks (also from the browser) |
| Hugging Face CLI |
0.23 |
Open models and datasets |
| OpenCV |
4.5 – 4.10 (CPU and GPU) |
Computer vision |
Molecular simulation and materials science
| Application |
Versions |
Purpose |
| GROMACS |
2026.0 (CPU and GPU) |
Molecular dynamics |
| LAMMPS |
30Sep2026 (CPU and GPU) |
Atomistic materials simulation |
| Quantum ESPRESSO |
7.3 · 7.6 (CPU and GPU) |
Electronic structure (DFT) |
| SIESTA |
5.4.2 (CPU and CUDA) |
Linear-scaling DFT for large systems |
| ORCA |
6.0 · 6.1 |
Computational chemistry |
| VMD |
1.9 · 2.0 |
Molecular visualization |
Geosciences, climate and environment
| Application |
Versions |
Purpose |
| WRF · WPS |
4.7.1 · 4.7.0 |
Weather modeling |
| QGIS |
3.28 LTR · latest |
GIS (also from the browser) |
| GDAL · GEOS · PROJ |
3.11 · 3.12 · 9.6 |
Geoprocessing and projections |
| python-gis |
3.11 |
Geospatial stack in Python |
Astrophysics and physics
| Application |
Versions |
Purpose |
| Pluto · gPluto |
4.4 |
Astrophysical hydrodynamics codes |
| CAMB · Cobaya |
1.5.6 · 3.3 |
Cosmology and parameter analysis |
| Application |
Versions |
Purpose |
| BLAST+ |
2.12 – 2.17 |
Sequence search |
| MMseqs2 |
14 |
Ultra-fast protein search and clustering |
| pylychord |
1.2 |
Population and phylogeography |
Utilities
| Application |
Versions |
Purpose |
| AWS CLI |
2 |
Cloud data |
| SQLite |
3.45 |
Embedded databases |
Usage, installation and examples verified with real output in the
HPC manuals.