Difference between revisions of "Support:Helpfiles"
From CAC Wiki
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* [[HowTo:gamess|Gamess]]: General Atomic and Molecular Electronic Structure System | * [[HowTo:gamess|Gamess]]: General Atomic and Molecular Electronic Structure System | ||
* [[HowTo:matlab|MATLAB]]: High-level Technical Computing Language and Interactive Environment | * [[HowTo:matlab|MATLAB]]: High-level Technical Computing Language and Interactive Environment | ||
− | * [[HowTo:Migrate|Migration]]: Moving from Sparc/Solaris/M9000 to x86/Linux/SW | + | * [[HowTo:Migrate|<span style="color:#FF0000> Migration </span>]]: 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:namd|NAMD]]: Parallel Code for Molecular Dynamics Simulation of Large Biomolecules |
Revision as of 13:26, 16 September 2016
- Accessing the Systems: Using SSH or our portal to get onto our systems
- Abaqus: Finite-Element Analysis (FEA) code
- ADF: Amsterdam Density Functional code (computational chemistry)
- Adina: Automatic Dynamic Incremental Non-linear Analysis (finite element)
- AutoDock: Suite of Automated Docking Tools
- Fluent: Computational Fluid Dynamics code
- 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