Challenge: Computing for the Life Sciences Gaining insight into protein science and protein folding mechanisms Simulating (thousands of) macromolecules
Most time spent on calculation of long-range forces (gravitational, Coulomb, and ... Communication time between host and boards is proportional to number of particles ...
Make NAMD a widely used MD program. For large molecular systems, ... 1.02 TeraFLOPs. NIH Resource for Biomolecular Modeling and Bioinformatics. http://www.ks.uiuc.edu ...
NIH Resource for Biomolecular Modeling and Bioinformatics. http://www.ks.uiuc.edu ... for Biomolecular Modeling and Bioinformatics. http://www.ks.uiuc.edu ...
High Performance Biocomputing Research Team, Bioinformatics Group. What is GRAPE? GRAvity PipE ... High Performance Biocomputing Research Team, Bioinformatics Group ...
Mattan Erez, Jung Ho Ahn, Ankit Garg, William J. Dally, Eric Darve ... A processor can do element-wise operations on entire vectors with a single instruction ...
Mattan Erez, Jung Ho Ahn, Ankit Garg, William J. Dally, Eric ... 16,384 node 2PFLOPS supercomputer with 16 cabinets. 9/3/09. 11. Content. Background. Motivation ...