To achieve scalable parallel performance in Molecular Dynamics Simulation, we have modeled and implemented several dynamic spatial domain decomposition algorithms. The modeling is ...
Lars S. Nyland, Jan Prins, Ru Huai Yun, Jan Herman...
Molecular Dynamics applications enhance our understanding of biological phenomena through bio-molecular simulations. Large-scale parallelization of MD simulations is challenging b...
An asynchronous work-stealing implementation of dynamic load balance is implemented using Unified Parallel C (UPC) and evaluated using the Unbalanced Tree Search (UTS) benchmark ...
This paper proposes a novel architecture supporting dynamic load balancing on an FPGA for a Molecular Dynamics algorithm. Load balancing is primarily achieved through the use of s...
Jonathan Phillips, Matthew Areno, Chris Rogers, Ar...
NAMD is a scalable molecular dynamics application, which has demonstrated its performance on several parallel computer architectures. Strong scaling is necessary for molecular dyn...