Difference between revisions of "Support:Helpfiles"
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| − | * [[HowTo:Access|Accessing the Systems]]: Using SSH | + | * [[HowTo:Access|Accessing the Systems]]: Using SSH to get onto our systems |
| − | * [[HowTo: | + | * [[HowTo:abaqus|Abaqus]]: Finite-Element Analysis (FEA) code |
| − | * [[HowTo: | + | * [[HowTo:ansys|Ansys Mechanical]]: Mechanical Engineering Software |
| + | * [[HowTo:autodock|AutoDock]]: Suite of Automated Docking tools | ||
| + | * [[HowTo:comsol|COMSOL Multiphysics]]: Simulation Tool for Electrical, Mechanical, Fluid Flow, and Chemical Applications | ||
* [[HowTo:fluent|Fluent]]: Computational Fluid Dynamics code | * [[HowTo:fluent|Fluent]]: Computational Fluid Dynamics code | ||
| + | * [[HowTo:fortran|Fortran]]: A brief introduction | ||
* [[HowTo:cpmd|CPMD]]: Carr-Parinello Molecular Dynamics (quantum-classical MD) | * [[HowTo:cpmd|CPMD]]: Carr-Parinello Molecular Dynamics (quantum-classical MD) | ||
| + | * [[HowTo:Compilers|Compilers]]: How to compile your code on our systems (GNU and Intel compilers) | ||
* [[HowTo:gaussian|Gaussian]]: Electronic Structure / Computational Chemistry code | * [[HowTo:gaussian|Gaussian]]: Electronic Structure / Computational Chemistry code | ||
* [[HowTo:gamess|Gamess]]: General Atomic and Molecular Electronic Structure System | * [[HowTo:gamess|Gamess]]: General Atomic and Molecular Electronic Structure System | ||
| − | * [[ | + | * [[Software:matlab|MATLAB]]: High-level Technical Computing Language and Interactive Environment |
| + | * [[HowTo:Migrate|Migration]]: Moving from Sparc/Solaris/M9000 to x86/Linux/SW | ||
* [[HowTo:mpi|MPI]]: Compiler Directives for shared-memory parallel programming | * [[HowTo:mpi|MPI]]: Compiler Directives for shared-memory parallel programming | ||
| + | * [[HowTo:namd|NAMD]]: Parallel Code for Molecular Dynamics Simulation of Large Biomolecules | ||
* [[HowTo:nwchem|NWChem]]: High-Performance Electronic Structure code | * [[HowTo:nwchem|NWChem]]: High-Performance Electronic Structure code | ||
* [[HowTo:openmp|OpenMP]]: Compiler Directives for shared-memory parallel programming | * [[HowTo:openmp|OpenMP]]: Compiler Directives for shared-memory parallel programming | ||
* [[HowTo:pyrx|PyRx]]: Virtual Screening Software for Computational Drug Discovery | * [[HowTo:pyrx|PyRx]]: Virtual Screening Software for Computational Drug Discovery | ||
* [[HowTo:Password|Passwords]]: Using and Changing Passwords | * [[HowTo:Password|Passwords]]: Using and Changing Passwords | ||
| − | * [[HowTo: | + | * [[HowTo:petsc|PETSc|]]: Data Structures and Routines for Parallel Solution of Partial Differential Equations |
| + | * [[SLURM|Running Jobs]]: Using the Grid Engine scheduler to run jobs on our clusters | ||
| + | * [[HowTo:unix|A collection of useful links to Unix/Linux help files]] | ||
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
