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» Large Scale Simulation of Parallel Molecular Dynamics
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IPPS
2009
IEEE
15 years 6 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
15 years 6 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
15 years 4 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»
14 years 11 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
15 years 5 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