Software in the HPC

• 1. Module System
  • 1.1. Where can I find installed software?
  • 1.2. How can I find specific Python or R packages?
  • 1.3. How can I find old software?
  • 1.4. The toolchain of software packages
• 2. Graphical applications
  • 2.1. X11 forwarding
  • 2.2. Remote desktop sharing
• 3. Specific Use Cases
  • 3.1. MATLAB
  • 3.2. R
  • 3.3. Gaussian
  • 3.4. GaussView
  • 3.5. matplotlib
  • 3.6. CESM/CIME
  • 3.7. GAP
  • 3.8. Mathematica
  • 3.9. Stata
  • 3.10. GROMACS
  • 3.11. CP2K
  • 3.12. PyTorch
  • 3.13. ORCA
  • 3.14. SRA-Toolkit
  • 3.15. AlphaFold
  • 3.16. GAMESS-US
• 4. Installing additional software
  • 4.1. Compiling and testing your software on the HPC
  • 4.2. Installing additional Python packages
  • 4.3. Python virtual environments
  • 4.4. Installing additional R packages
  • 4.5. Installing additional Perl packages