Application Support for HPC
UATS currently provides high-performance computing support for applications such as
- SAS
An application for data analysis with tools for information storage and retrieval, data modification, report writing, file handling, and statistical functions.
SAS on IBM System p5 Supercomputer
Contact: Dr. Jaro Klc 404-413-4744 or Help@gsu.edu
- Matlab
Application for technical computing and model-based design. Core products are MATLAB® for mathematical calculations, analyzing and visualizing data, and writing applications; and Simulink® for modeling and simulating complex dynamic systems.
Georgia State has negotiated with The MathWorks, Inc. for a Total Academic Headcount (TAH) Campus License Agreement. The TAH Campus License
provides access to MATLAB standard configurations and a set of additional products available to any faculty, staff and student of Georgia State. More information on how to start using the campus-wide MATLAB license.
Matlab on Linux high-performance research cluster, MATLAB and MATLAB Distributed Computing Server - Amber
Amber8 - http://amber.scripps.edu/
- Molecular force dynamics simulation on bio-molecules (50 various program modules)
- Sander: "main" program used for molecular dynamics simulations.
- Simulated annealing with NMR-derived energy restraints
- Also used for replica-exchange, thermodynamic integration, and potential of mean force (PMF) calculations
- pmemd: extensively-modified version (by Bob Duke) of sander, limited to periodic, PME simulations. Faster, and scales better on parallel machines, than sander. Program of choice for "standard" periodic simulations
- LEaP: X-windows-based program for basic model building.
- Gaussian
Gaussian03 - http://www.gaussian.com/
- Linda (parallel gaussian)
- Electronic structure program to study molecules and reactions under a wide range of conditions
- Based on quantum mechanics, Gaussian predicts the energies, molecular structures, properties, and vibration frequencies of molecular system
- Enables study of compounds that are difficult or impossible to observe experimentally such as short-lived intermediates and transition structures
- Research Software Licenses
Georgia State University has several software applications for which campus-wide licenses are in place.