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  • Accessing the Systems: Using SSH to get onto our systems
  • Abaqus: Finite-Element Analysis (FEA) code
  • Ansys Mechanical: Mechanical Engineering Software
  • AutoDock: Suite of Automated Docking tools
  • COMSOL Multiphysics: Simulation Tool for Electrical, Mechanical, Fluid Flow, and Chemical Applications
  • Fluent: Computational Fluid Dynamics code
  • Fortran: A brief introduction
  • CPMD: Carr-Parinello Molecular Dynamics (quantum-classical MD)
  • Compilers: How to compile your code on our systems (GNU and Intel compilers)
  • Gaussian: Electronic Structure / Computational Chemistry code
  • Gamess: General Atomic and Molecular Electronic Structure System
  • MATLAB: High-level Technical Computing Language and Interactive Environment
  • Migration: Moving from Sparc/Solaris/M9000 to x86/Linux/SW
  • MPI: Compiler Directives for shared-memory parallel programming
  • NAMD: Parallel Code for Molecular Dynamics Simulation of Large Biomolecules
  • NWChem: High-Performance Electronic Structure code
  • OpenMP: Compiler Directives for shared-memory parallel programming
  • PyRx: Virtual Screening Software for Computational Drug Discovery
  • Passwords: Using and Changing Passwords
  • PETSc|: Data Structures and Routines for Parallel Solution of Partial Differential Equations
  • Running Jobs: Using the Grid Engine scheduler to run jobs on our clusters
  • A collection of useful links to Unix/Linux help files