Related papers: Enhanced molecular dynamics performance with a pro…
Graphics processing units have been extensively used to accelerate classical molecular dynamics simulations. However, there is much less progress on the acceleration of force evaluations for many-body potentials compared to pairwise ones.…
Future architectures designed to deliver exascale performance motivate the need for novel algorithmic changes in order to fully exploit their capabilities. In this paper, the performance of several numerical algorithms, characterised by…
General-purpose computing on graphics processing units (GPGPU) has recently gained considerable attention in various domains such as bioinformatics, databases and distributed computing. GPGPU is based on using the GPU as a co-processor…
The edge computing paradigm has emerged to handle cloud computing issues such as scalability, security and low response time among others. This new computing trend heavily relies on ubiquitous embedded systems on the edge. Performance and…
Computer vision applications, especially those using augmented reality technology, are becoming quite popular in mobile devices. However, this type of application is known as presenting significant demands regarding resources. In order to…
In this paper I will outline some of the aspects and problems of modern celestial mechanics and stellar dynamics, in the context of the quickly growing computing facilities. I will point the attention on the great advantages in using, for…
Many recently introduced enhanced sampling techniques are based on biasing coarse descriptors (collective variables) of a molecular system on the fly. Sometimes the calculation of such collective variables is expensive and becomes a…
Future computing systems, from handhelds to supercomputers, will undoubtedly be more parallel and heterogeneous than todays systems to provide more performance and energy efficiency. Thus, GPUs are increasingly being used to accelerate…
A technique used to accelerate an adaptive optics simulation platform using reconfigurable logic is described. The performance of parts of this simulation have been improved by up to 600 times (reducing computation times by this factor) by…
Quantum computers are becoming practical for computing numerous applications. However, simulating quantum computing on classical computers is still demanding yet useful because current quantum computers are limited because of computer…
It is shown micromagnetic and atomistic spin dynamics simulations can use multiple GPUs in order to reduce computation time, but also to allow for a larger simulation size than is possible on a single GPU. Whilst interactions which depend…
Splotch is a rendering algorithm for exploration and visual discovery in particle-based datasets coming from astronomical observations or numerical simulations. The strengths of the approach are production of high quality imagery and…
Genetic Programming (GP) is a computationally intensive technique which also has a high degree of natural parallelism. Parallel computing architectures have become commonplace especially with regards Graphics Processing Units (GPU). Hence,…
The use of reconfigurable computing, and FPGAs in particular, to accelerate computational kernels has the potential to be of great benefit to scientific codes and the HPC community in general. However, whilst recent advanced in FPGA tooling…
Polymerization of C60 molecular crystal under high pressure and high temperature is simulated by using linear scaling tight binding molecular dynamics (TBMD) with Graphic Processing Unit (GPU) as a computational accelerator for…
In the context of the genome-wide association studies (GWAS), one has to solve long sequences of generalized least-squares problems; such a task has two limiting factors: execution time --often in the range of days or weeks-- and data…
Learned image compression allows achieving state-of-the-art accuracy and compression ratios, but their relatively slow runtime performance limits their usage. While previous attempts on optimizing learned image codecs focused more on the…
The recent trend of using Graphics Processing Units (GPU's) for high performance computations is driven by the high ratio of price performance for these units, complemented by their cost effectiveness. At first glance, computational fluid…
A finite-difference Micromagnetic simulation code written in MATLAB is presented with Graphics Processing Unit (GPU) acceleration. The high performance of Graphics Processing Unit (GPU) is demonstrated compared to a typical Central…
This work proposes a novel approach to evaluate and analyze the behavior of multi-population parallel genetic algorithms (PGAs) when running on a cluster of multi-core processors. In particular, we deeply study their numerical and…