Low-Cost Linux Clusters for Biomolecular Simulations Using NAMD

Instructors

Jim Phillips, John Stone, Tim Skirvin

NIH Resource for Macromolecular Modeling and Bioinformatics
Theoretical Biophysics Group, Beckman Institute, University of Illinois

Agenda

1:00pm Designing a cluster for a small research group (3169)
2:15pm Hands-on: Building small Scyld clusters (3169)
3:15pm Break (3151)
3:30pm Discussion: Cluster-building experiences (3414)
3:45pm Overview of NAMD and molecular dynamics (3414)
4:00pm Hands-on: Cluster performance experiments (3414)
4:45pm Discussion: Cluster performance (3414)
5:00pm Adjourn
5:15pm Optional demo: Interactive MD and haptic device (3151)

Reference Web Sites

Scyld Beowulf: http://www.scyld.com/page/support/docs/

NAMD: http://www.ks.uiuc.edu/Research/namd/

TBG Clusters: http://www.ks.uiuc.edu/Development/Computers/beowulf.html