In 2019, over 230 scientific software packages were installed on the HPC. The installation of the software was done by just over 14 340 GNU Linux command line instructions. A number of different versions of the software had to be installed, to provide researchers with the exact version that they require for their study, bringing the total scientific software package installations to 363.
| Function | Methodology
| Software Component
|
Data mining
4th Industrial Revolution
Data Science
Data Processing
| Machine Learning
Artificial Intelligence
Deep Learning
Neural Networks
Matrix and Array Mathematics
Big Data
| TensorFlow
Keras
Horovod
R
R-Studio
Python
Jupyter Notebooks
SAS
MATLAB
Starlink
Octave
|
Distributed Computing
| Parallel Processing
| Intel MPl
Open MPl
|
Software Optimization
| Software Compilation Tools
| GNU GCC
Intel Parallel Studio
Portland Compiler
|
| Automization | Scripting | Bash
Puppet
Jenkins
Environmental Modules
|
Computational Fluid Dynamics
| Astrophysical | Pluto |
Fluid Flows
Electromagnetics
Solid Mechanics
Heat Transfer
| OpenFOAM
|
Bio-Informatics & Genomics
| Genome Sequencing
Molecular Biology
Next-Gen Sequencing Analysis
| CLC Bio
|
Next-Gen Build Tool
| SCons
|
Mass Spectometry
| Mascot
|
Analysis of Protein Structures
| Rosetta
|
Queuing System
| Resource Management
| PBS Torque
|
Task Scheduler
| Maui
|
Computational Chemistry
| Material Modelling
| VASP |
Analytic Frequency Calculations
| Gaussian
|
Density Functional Theory (DFT) Modelling
| ADF
|
Quantum Mechanical Modelling
| Quantum ESPRESSO
ORCA
GAMESS
|
Complex Wavefunctions
| NBO
|
Image Processing
| General Image Processing
| MATLAB
|
Photogrammetric Processing
3D Spatial Data
Digital Photogrammetry
| MetaShape
|
Material Modelling
| Electronic-Structure Calculations
Density-Functional Theory
Plane Waves
Pseudopotentials
| Quantum ESPRESSO
|
Molecular Dynamics
| Newtonian Equations of Motion
| Gromacs
|
General Atomic and Molecular Electronic
Structure System
| GAMESS
|
Biomolecular Simulation
| Amber
|
Geospatial
| Aerial Imagery
| NGI Datasets
Geonetwork
|
Geographic Information System
| GRASS
|
Plasma Physics
| Solving Partial Differential Equations
| Chombo
|
High Energy Physics
| Numerical Programming
Vector Arithmetic
Geometry
Pseudorandom Number Generation
Linear Algebra
| CLHEP
|
Data Visualisation
| Astronomical Imaging
| SAOImage DS9
|
Complex Numerical Data
| IDL
|
Hera Data Analysis
| HEAsoft
|
Cosmic Microwave Background
| HEALPix
|
Complex Numerical Data Analysis
| IDL
|
General
| MATLAB
|
Monte Carlo Simulations
| Propagation of Photons, Electrons and Positrons
| EGSnrc
|
Gamma-ray Space Telescope
| Analyse Fermi Data
| Fermi Science Tools
|
Computing Discrete Fourier Transform
| Real and Complex Data
| FFTW
|
Molecular Structures
| X-ray Crystallography
| PHENIX
|