Sciweavers

28 search results - page 2 / 6
» Impact of multicores on large-scale molecular dynamics simul...
Sort
View
ASAP
2009
IEEE
142views Hardware» more  ASAP 2009»
14 years 2 months ago
Parallel Discrete Event Simulation of Molecular Dynamics Through Event-Based Decomposition
—Molecular dynamics simulation based on discrete event simulation (DMD) is emerging as an alternative to time-step driven molecular dynamics (MD). DMD uses simplified discretize...
Martin C. Herbordt, Md. Ashfaquzzaman Khan, Tony D...
HIPC
2009
Springer
13 years 2 months ago
Fast checkpointing by Write Aggregation with Dynamic Buffer and Interleaving on multicore architecture
Large scale compute clusters continue to grow to ever-increasing proportions. However, as clusters and applications continue to grow, the Mean Time Between Failures (MTBF) has redu...
Xiangyong Ouyang, Karthik Gopalakrishnan, Tejus Ga...
FPL
2009
Springer
162views Hardware» more  FPL 2009»
13 years 8 months ago
Efficient particle-pair filtering for acceleration of molecular dynamics simulation
The acceleration of molecular dynamics (MD) simulations using high performance reconfigurable computing (HPRC) has been much studied. Given the intense competition from multicore...
Matt Chiu, Martin C. Herbordt
IPPS
2006
IEEE
13 years 11 months ago
Parallel implementation of the replica exchange molecular dynamics algorithm on Blue Gene/L
The Replica Exchange method is a popular approach for studying the folding thermodynamics of small to modest size proteins in explicit solvent, since it is easily parallelized. Ho...
Maria Eleftheriou, Aleksandr Rayshubskiy, Jed W. P...
IPPS
2007
IEEE
13 years 11 months ago
On the Path to Enable Multi-scale Biomolecular Simulations on PetaFLOPS Supercomputer with Multi-core Processors
1 Biological processes occurring inside cell involve multiple scales of time and length; many popular theoretical and computational multi-scale techniques utilize biomolecular simu...
Sadaf R. Alam, Pratul K. Agarwal