Computational Facilities
Software
- Molecular Dynamics:
- Accelrys Material Studio for materials modeling and simulation: Discover (125 CPUs), Compass (125 CPUs), Dmol3 (127 CPUs), Visulizer (2 CPUs), DPD (1 CPU), MESO (1 CPU), Amorphous Cells (2 CPUs).
- Scienomics with MAPS 3.3 and LAMMPS 27, Amorphous builder plugin and NAMD plugin.
- Particle Dynamics: In house Fortran code
- Lattice Modeling: In house Fortran code for simulating fracture of random composites
- Finite Element: ABAQUS, AUTODYN, ANSYS, LS-DYNA
- Structure Analysis: SAP 2000
- Fire Dynamics Simulator provided by NIST
- Areal Locations of Hazardous Atmospheres (ALOHA 5.4.1.2), provided by the U. S. Environmental Protection Agency (EPA)
- Hazard Predication and Assessment Capability (HPAC 5.0), provided by the Defense Threat Reduction Agency (DTRA)
- MAC/GMC Generalized Method of Cell provided by NASA John H. Glenn Research Center.
- Digital Surf MountainsMap surface analysis software. The software is suited to instruments such as optical profilometers, confocal microscopes, scanning probe ant atomic force microscopes
Hardware/Computers
- 10 High power Dell workstations
- 2 SGI Unix workstations
- 2 servers
Other Computational Facilities
The group has access to Mississippi Center for Supercomputing Research - MCSR (http://www.mcsr.olemiss.edu/index.php). MCSR currently offers three supercomputers and one Linux cluster for the use of Mississippi researchers and students. Redwood is a 224-CPU SGI Altix 3700 supercomputer. Sequoia is a SGI Altix XE 250/310 InfiniBand Cluster. Each supercomputer account holder will be issued a separate account on the front-end server Hpcwoods, and may only connect to the supercomputers through Hpcwoods. Accounts are available for any student or faculty at any publicly funded university in Mississippi.