Difference between revisions of "Support:Helpfiles"

Revision as of 17:43, 14 June 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)
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
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

@@ Line 10: / Line 10: @@
 * [[HowTo:matlab|MATLAB]]: High-level Technical Computing Language and Interactive Environment
 * [[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:openmp|OpenMP]]: Compiler Directives for shared-memory parallel programming