Difference between revisions of "Support:Helpfiles"

Revision as of 17:21, 2 April 2018

• Accessing the Systems: Using SSH to get onto our systems
• Abaqus: Finite-Element Analysis (FEA) code
• ADF: Amsterdam Density Functional code (computational chemistry)
• 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