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Scientific Computing

This section provides information about the programming environments on the NeSI HPCs, explains how to find installed applications, describes how to compile and link your own software applications and provides access to manuals, user guides and training resources

Training

  • Webinars

Interactive computing using Jupyter

  • Jupyter on NeSI
  • RStudio via Jupyter on NeSI
  • MATLAB via Jupyter on NeSI
  • Virtual Desktop via Jupyter on NeSI
  • Jupyter kernels - Tool-assisted management
  • Jupyter kernels - Manual management

The NeSI High Performance Computers

  • Overview
  • Total HPC Resources Available
  • Mahuika
  • Māui
  • Māui Ancillary Nodes
  • Available GPUs on NeSI

Supported Applications

  • ABAQUS
  • AlphaFold2
  • ANSYS
  • BLAST
  • BRAKER
  • CESM
See all 43 articles

Running Jobs on Māui and Mahuika

  • GPU use on NeSI
  • Job Checkpointing
  • Slurm Interactive Sessions
  • Fair Share
  • Job prioritisation
  • Mahuika Slurm Partitions
See all 12 articles

Profiling and Debugging

  • Profiler: VTune
  • Slurm Native Profiling
  • Profiler: ARM MAP
  • Debugging

HPC Software Environment

  • Build an Apptainer container on a Mahuika Extension Node
  • OpenMP settings
  • Offloading to GPU with OpenMP
  • Offloading computations to a Graphical Processing Unit (GPU) with OpenACC
  • NVIDIA GPU Containers
  • Configuring Dask-MPI jobs
See all 15 articles

Terminal Setup

  • Standard Terminal Setup
  • Ubuntu LTS terminal (Windows 10)
  • MobaXterm Setup (Windows)
  • WinSCP/PuTTY Setup (Windows)
  • X11 on NeSI
  • Windows Subsystem for Linux (WSL)

Manuals and User Guides

  • Troubleshooting on NeSI
  • Manuals
  • XC50 Aries Network Architecture
Services
  • High Performance Computing
  • Consultancy
  • Data services
  • Training
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