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» Large Scale Simulation of Parallel Molecular Dynamics
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IPPS
2009
IEEE
14 years 2 months ago
A metascalable computing framework for large spatiotemporal-scale atomistic simulations
A metascalable (or “design once, scale on new architectures”) parallel computing framework has been developed for large spatiotemporal-scale atomistic simulations of materials...
Ken-ichi Nomura, Richard Seymour, Weiqiang Wang, H...
IPPS
2007
IEEE
14 years 2 months ago
Modeling of NAMD's Network Input/Output on Large PC Clusters
This study examined the interplay among processor speed, cluster interconnect and file I/O, using parallel applications to quantify interactions. We focused on a common case wher...
Nancy Tran, Daniel A. Reed
ICCS
2003
Springer
14 years 1 months ago
Scaling Molecular Dynamics to 3000 Processors with Projections: A Performance Analysis Case Study
Some of the most challenging applications to parallelize scalably are the ones that present a relatively small amount of computation per iteration. Multiple interacting performance...
Laxmikant V. Kalé, Sameer Kumar, Gengbin Zh...
CPHYSICS
2008
87views more  CPHYSICS 2008»
13 years 7 months ago
Molecular dynamics studies of swimming at the microscopic scale
The motion of two- and three-dimensional self-propelled microscopic bodies immersed in a fluid medium is studied using molecular dynamics simulation. The advantage of the atomisti...
D. C. Rapaport
ICCS
2005
Springer
14 years 1 months ago
High-Fidelity Simulation of Large-Scale Structures
Active structures capable of responding to external stimulii represent the emerging frontier in structural design. Robust and real-time sensing, control, and actuation pose fundame...
Christoph Hoffmann, Ahmed H. Sameh, Ananth Grama