Software in the HPC

• 1. Module System
  • 1.1. Where can I find installed software?
  • 1.2. How can I find old software?
  • 1.3. The toolchain of software packages
  • 1.4. How can I build/install additional software/packages?
  • 1.5. How can I run graphical applications?
• 2. Specific Use Cases
  • 2.1. MATLAB
  • 2.2. R
  • 2.3. Gaussian
  • 2.4. GaussView
  • 2.5. matplotlib
  • 2.6. CESM/CIME
  • 2.7. GAP
  • 2.8. Mathematica
  • 2.9. Stata
  • 2.10. GROMACS
  • 2.11. CP2K
  • 2.12. PyTorch
  • 2.13. ORCA
  • 2.14. SRA-Toolkit