Getting Started

Find references to guides for a quick, straightforward, and typically hands-on introduction to topics related to the usage of HPC systems.

HPC Wiki

A good introduction to important terms and techniques (e.g. make, cmake, ssh, compiler, modules, vim, screen & tmux, python & pip, scp, rsync, git, shell, bash, & NUMA) as well as first steps for the operational usage of HPC infrastructure can be found at the HPC Wiki.

The wiki is built up continuously within the HPC.NRW project.

Common HPC Software

Starter Manuals

  • AMBER (Manual by the HHU Düsseldorf)
  • Gaussian (Manual by the HHU Düsseldorf)
  • LAMMPS (Manual by the HHU Düsseldorf)
  • TurboMole (Manual by the HHU Düsseldorf)

Programming, Analyses, & Visualization (Plotting)

C

C++

Python

Java

R

Unix, Linux, & Shell

Unix Editors

Shells & Other Topics

Software Development & Version Control

Git

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