none5siCoarse grain (CG) molecular models have been proposed to simulate complex sys- tems with lower computational overheads and longer timescales with respect to atom- istic level models. However, their acceleration on parallel architectures such as Graphic Processing Units (GPU) presents original challenges that must be carefully evaluated. The objective of this work is to characterize the impact of CG model features on parallel simulation performance. To achieve this, we implemented a GPU-accelerated version of a CG molecular dynamics simulator, to which we applied specic optimizations for CG models, such as dedicated data structures to handle dierent bead type interac- tions, obtaining a maximum speed-up of 14 on the NVIDIA GTX...
We discuss an implementation of molecular dynamics (MD) simulations on a graphic processing unit (GP...
Molecular dynamics (MD) simulation is a powerful computational tool to study the behaviour of macrom...
Graphics processing units (GPUs), originally developed for rendering real-time effects in computer g...
Coarse grain (CG) molecular models have been proposed to simulate complex sys- tems with lower compu...
Abstract. Molecular dynamics simulations are a common and often repeated task in molecular biology. ...
Molecular dynamics is an important computational tool to simulate and understand biochemical process...
Molecular dynamics simulations are known to run for many days or weeks before completion. In this pa...
In several fields of research, molecular dynamics simulation techniques are exploited to evaluate th...
Modern graphics processing units (GPUs) provide impressive computing resources, which can be accesse...
Abstract — Molecular dynamics (MD) was widely used in chemistry and bio molecules. Numerous attempts...
Abstract: Molecular mechanics simulations offer a computational approach to study the behavior of bi...
Molecular simulations are continuously shedding light into a wide range of biological phenomena suc...
In several fields of research, molecular dynamics simulation techniques are exploited to evaluate th...
It is increasingly easy to develop software that exploits Graphics Processing Units (GPUs). The mole...
Graphics processing unit (GPU) architectures are increasingly used for general purpose computing, pr...
We discuss an implementation of molecular dynamics (MD) simulations on a graphic processing unit (GP...
Molecular dynamics (MD) simulation is a powerful computational tool to study the behaviour of macrom...
Graphics processing units (GPUs), originally developed for rendering real-time effects in computer g...
Coarse grain (CG) molecular models have been proposed to simulate complex sys- tems with lower compu...
Abstract. Molecular dynamics simulations are a common and often repeated task in molecular biology. ...
Molecular dynamics is an important computational tool to simulate and understand biochemical process...
Molecular dynamics simulations are known to run for many days or weeks before completion. In this pa...
In several fields of research, molecular dynamics simulation techniques are exploited to evaluate th...
Modern graphics processing units (GPUs) provide impressive computing resources, which can be accesse...
Abstract — Molecular dynamics (MD) was widely used in chemistry and bio molecules. Numerous attempts...
Abstract: Molecular mechanics simulations offer a computational approach to study the behavior of bi...
Molecular simulations are continuously shedding light into a wide range of biological phenomena suc...
In several fields of research, molecular dynamics simulation techniques are exploited to evaluate th...
It is increasingly easy to develop software that exploits Graphics Processing Units (GPUs). The mole...
Graphics processing unit (GPU) architectures are increasingly used for general purpose computing, pr...
We discuss an implementation of molecular dynamics (MD) simulations on a graphic processing unit (GP...
Molecular dynamics (MD) simulation is a powerful computational tool to study the behaviour of macrom...
Graphics processing units (GPUs), originally developed for rendering real-time effects in computer g...