ARC Software Guide

This documentation provides information on the software applications installed on ARC clusters and also provides template submission scripts for some of the most popular applications.

See also

ARC Website

ARC User Guide

ARC Module List List of the currently installed applications/libraries on the Oxford University ARC/HTC clusters

• Accessing Installed Software Applications
  • Environment Modules
  • Building software against installed modules
• Installing new software applications
  • Licensed Software (Commercial or Restricted Use)
  • Open Source Software
• Efficiently Running Serial Software
  • Introduction
  • Using job arrays
• Compiling and Running MPI Software
  • Introduction
  • About MPI
  • MPI on the ARC systems
  • Preparing and Running An Example
  • Compiling the application
  • Toolchains
  • Compilation
  • Preparing the submission script
  • Running the application
  • Checking the results
  • MPI Core Allocation (and OpenMP)
• Legacy Application Software
  • Example Submission Scripts
• Using Python on ARC
  • Creating Python Virtual Environments on ARC Clusters
  • 1. Start from a SLURM Interactive Session
  • 2. Why Your Virtual Environment Must Be in $DATA
    • Important
  • 3. Check Available Modules
  • 4. Creating a Python 3 Environment with Mamba
    • Step 1 — Define the Environment Location
    • Step 2 — Create the Environment
    • Step 3 — Activate the Environment
    • Step 4 — Install Packages
  • 5. Creating a Python 3 Environment with Anaconda 3
  • 6. Notes About conda init
  • 7. Recommended Workflow
  • 8. Build Script Example
  • 9. Package Cache and $HOME Quota
  • 10. Using Your Environment in a SLURM Submission Script
    • Example Using Anaconda 3
    • Example Using Mamba
  • 11. Important HPC Usage Guidelines
  • 12. Using Bioconda
  • 13. Legacy Python 2 / Anaconda 2 Instructions
  • Using MPI with Anaconda
  • Using Jupyter Notebooks on ARC
• Using R on ARC
  • Loading an R Module
    • Typical R submission script
  • Installing packages into your own R library
  • Using Rmpi on ARC
  • Using R-Studio on ARC
• Application Software Guides
  • Abaqus
  • AlphaFold
  • Apptainer (Singularity)
  • CASTEP
  • CellProfiler
  • ANSYS CFX
  • CP2K
  • ANSYS FLUENT
  • Gaussian
  • GROMACS
  • HemeLB
  • Java
  • Julia
  • LAMMPS
  • Mathematica
  • MATLAB
  • MATLAB Parallel Server
  • OpenFOAM
  • ORCA
  • PyTorch
  • Quantum ESPRESSO
  • Qiskit
  • Stata
  • TensorFlow
  • VASP
  • Visual Studio Code (VS Code)