Utilities - In-House Software

• Group Software
• boomerang.py
• gracey.py - A python interface to xmgrace
• jkawk.py
• inputs.py
• robo_run.py
• webscitobib.py
• mysub.py
• generate_machs.py
• Cluster scripts
• Simple Scripts

General Software

• External Software

Compiling VASP

• VASP Compilation

VASP Utilities

• performance_tests.py
• VASP Modifications
• mkdos.py (DOS)

VASP development version

• VASP development version

Compiling ALPS

• ALPS Compilation

Quantum ESPRESSO

• Quantum ESPRESSO Compilation

Linux / Computers

• Our In-House Cluster
  • Setting up a new computer
  • New Users
  • Managing and cleaning up space
  • Notes on our computers
  • DFT codes
  • Installing Intel Compiler
  • Troubleshooting nodes
  • List of machines in our group
  • Potential future purchases
• Instructions: python, git, sphinx, and apache
  • Python Virtual Environments
  • Intro to git
  • Modifying the internal group website: Git and Sphinx
  • Environment Modules
  • In-house debian repository
  • Git Protocal - Git Daemon
• Other Computing Resources
  • NERSC resources
  • Information on HPC Cluster at Columbia
• Cluster Hardware information
  • Current control
  • Boomerang with MPI
  • PDU (powerstrip)
  • Managed Switch (pennstation)
  • Network choices
• File Storage
  • Introduction
  • Backups
  • Checkups
  • Technical information
  • Reference Links

Administrative Stuff

• How-To
  • Contact Us
  • Purchasing
  • Travel Reimbursements / Expense Reports
  • MATLAB / Mathematica
  • Printing and Wireless
  • Placing a Facilities Request
• Group Guidelines
• PhD Student Requirements

Professional

• Writing a Paper
  • Typesetting with Latex
  • Overleaf
  • Version Control
  • Grant Acknowledgements
  • PRL Justification Box
  • Checking status of papers in Physical Review

• Index

• Module Index

• Search Page