Sciweavers

Share
IPPS
1999
IEEE

Large Scale Simulation of Parallel Molecular Dynamics

9 years 5 months ago
Large Scale Simulation of Parallel Molecular Dynamics
This paper aims to describe the implementation of TAKAKAW, an efficient parallel application for the simulation of molecular dynamics designed to handle large proteins in biology. The implementation is based on the multi-threading parallel programming environment, called ATHAPASCAN 1 which allows to implement and evaluate easily several load-balancing strategies. Some experiments run on one of the largest molecule ever simulated (an hydrated -galactosidase with 413039 atoms) show the interest of such a parallel programming environment. keywords. Load balancing - Threads - Parallel Molecular Dynamics.
Pierre-Eric Bernard, Thierry Gautier, Denis Trystr
Added 03 Aug 2010
Updated 03 Aug 2010
Type Conference
Year 1999
Where IPPS
Authors Pierre-Eric Bernard, Thierry Gautier, Denis Trystram
Comments (0)
books