In this thesis we look at a performance bottleneck of running molecular dynamics code on GPGPU devices (specifically the CUDA platform), namely random memory access into global graphics card memory. We offer a solution that involves reordering memory blocks in order to enable more memory reads from the local cache (shared memory) instead of the global memory. For determining a memory block order that sufficiently increases performance a space-filling curve was used. Significant performance increases for higher filling fractions were observed with a molecular dynamics simulation that was written from scratch
Abstract—The advent of general purpose graphics processing units (GPGPU’s) brings about a whole new ...
In several fields of research, molecular dynamics simulation techniques are exploited to evaluate th...
We present projection sorting, an algorithmic approach to determining pairwise short-range forces be...
In this thesis we look at a performance bottleneck of running molecular dynamics code on GPGPU devic...
Modern graphics processing units (GPUs) provide impressive computing resources, which can be accesse...
Coarse grain (CG) molecular models have been proposed to simulate complex sys- tems with lower compu...
General-purpose computing on GPUs is widely adopted for scientific applications, providing inexpensi...
Application performance on graphical processing units (GPUs), in terms of execution speed and memory...
This article presents the GPU parallelization of new algorithms SD and DPD types for molecular dynam...
Restricted solid on solid surface growth models can be mapped onto binary lattice gases. We show tha...
Copyright: © 2015 Materials Research SocietyThis article discusses novel algorithms for molecular-dy...
AbstractMolecular dynamics simulations of emergent phenomena are often computationally demanding bec...
General-purpose computation on Graphics Processing Units (GPU) on personal computers has recently be...
Molecular dynamics is used for simulating chemical systems with the goal of studying a large range o...
Michela TauferThe advent of general purpose graphics processing units (GPGPU???s) brings about a wh...
Abstract—The advent of general purpose graphics processing units (GPGPU’s) brings about a whole new ...
In several fields of research, molecular dynamics simulation techniques are exploited to evaluate th...
We present projection sorting, an algorithmic approach to determining pairwise short-range forces be...
In this thesis we look at a performance bottleneck of running molecular dynamics code on GPGPU devic...
Modern graphics processing units (GPUs) provide impressive computing resources, which can be accesse...
Coarse grain (CG) molecular models have been proposed to simulate complex sys- tems with lower compu...
General-purpose computing on GPUs is widely adopted for scientific applications, providing inexpensi...
Application performance on graphical processing units (GPUs), in terms of execution speed and memory...
This article presents the GPU parallelization of new algorithms SD and DPD types for molecular dynam...
Restricted solid on solid surface growth models can be mapped onto binary lattice gases. We show tha...
Copyright: © 2015 Materials Research SocietyThis article discusses novel algorithms for molecular-dy...
AbstractMolecular dynamics simulations of emergent phenomena are often computationally demanding bec...
General-purpose computation on Graphics Processing Units (GPU) on personal computers has recently be...
Molecular dynamics is used for simulating chemical systems with the goal of studying a large range o...
Michela TauferThe advent of general purpose graphics processing units (GPGPU???s) brings about a wh...
Abstract—The advent of general purpose graphics processing units (GPGPU’s) brings about a whole new ...
In several fields of research, molecular dynamics simulation techniques are exploited to evaluate th...
We present projection sorting, an algorithmic approach to determining pairwise short-range forces be...