Difference between revisions of "Support:Helpfiles"

Latest revision as of 14:42, 21 June 2018

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

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 * [[HowTo:Access|Accessing the Systems]]: Using SSH to get onto our systems
 * [[HowTo:abaqus|Abaqus]]: Finite-Element Analysis (FEA) code
-* [[HowTo:adf|ADF]]: Amsterdam Density Functional code (computational chemistry)
 * [[HowTo:ansys|Ansys Mechanical]]: Mechanical Engineering Software
 * [[HowTo:autodock|AutoDock]]: Suite of Automated Docking tools