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.

• 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 your own virtual environment
  • Conda Build Scripts
  • Conda Package Cache
  • Using Anaconda from within a submission script
  • Important Anaconda Information
  • Using Bioconda
  • 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
  • ANSYS CFX
  • ANSYS FLUENT
  • Gaussian
  • GROMACS
  • HemeLB
  • Java
  • Julia
  • LAMMPS
  • Mathematica
  • MATLAB
  • MATLAB Parallel Server
  • OpenFOAM
  • ORCA
  • Quantum ESPRESSO
  • Qiskit
  • Stata
  • TensorFlow
  • VASP