Difference between revisions of "Support:Helpfiles"
From CAC Wiki
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* [[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:Password|Passwords]]: Using and Changing Passwords | * [[HowTo:Password|Passwords]]: Using and Changing Passwords | ||
* [[HowTo:Scheduler|Running Jobs]]: Using the Grid Engine scheduler to run jobs on our clusters | * [[HowTo:Scheduler|Running Jobs]]: Using the Grid Engine scheduler to run jobs on our clusters | ||
Revision as of 14:58, 14 June 2016
- Accessing the Systems: Using SSH or our portal to get onto our systems
- ADF: Amsterdam Density Functional code (computational chemistry)
- Adina: Automatic Dynamic Incremental Non-linear Analysis (finite element)
- Fluent: Computational Fluid Dynamics code
- CPMD: Carr-Parinello Molecular Dynamics (quantum-classical MD)
- Gaussian: Electronic Structure / Computational Chemistry code
- Gamess: General Atomic and Molecular Electronic Structure System
- MATLAB: High-level Technical Computing Language and Interactive Environment
- MPI: Compiler Directives for shared-memory parallel programming
- 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
- Running Jobs: Using the Grid Engine scheduler to run jobs on our clusters
