Enhanced molecular dynamics performance with a programmable graphics processor

Design considerations for molecular dynamics algorithms capable of taking advantage of the computational power of a graphics processing unit (GPU) are described. Accommodating the constraints of scalable streaming-multiprocessor hardware necessitates a reformulation of the underlying algorithm. Performance measurements demonstrate the considerable benefit and cost-effectiveness of such an approach, which produces a factor of 2.5 speed improvement over previous work for the case of the soft-sphere potential.Comment: 20 pages (v2: minor additions and changes; v3: corrected typos

Compositional Performance Modelling with the TIPPtool

Stochastic process algebras have been proposed as compositional specification formalisms for performance models. In this paper, we describe a tool which aims at realising all beneficial aspects of compositional performance modelling, the TIPPtool. It incorporates methods for compositional specification as well as solution, based on state-of-the-art techniques, and wrapped in a user-friendly graphical front end. Apart from highlighting the general benefits of the tool, we also discuss some lessons learned during development and application of the TIPPtool. A non-trivial model of a real life communication system serves as a case study to illustrate benefits and limitations

A GPU-accelerated Branch-and-Bound Algorithm for the Flow-Shop Scheduling Problem

Branch-and-Bound (B&B) algorithms are time intensive tree-based exploration methods for solving to optimality combinatorial optimization problems. In this paper, we investigate the use of GPU computing as a major complementary way to speed up those methods. The focus is put on the bounding mechanism of B&B algorithms, which is the most time consuming part of their exploration process. We propose a parallel B&B algorithm based on a GPU-accelerated bounding model. The proposed approach concentrate on optimizing data access management to further improve the performance of the bounding mechanism which uses large and intermediate data sets that do not completely fit in GPU memory. Extensive experiments of the contribution have been carried out on well known FSP benchmarks using an Nvidia Tesla C2050 GPU card. We compared the obtained performances to a single and a multithreaded CPU-based execution. Accelerations up to x100 are achieved for large problem instances

A controlled migration genetic algorithm operator for hardware-in-the-loop experimentation

In this paper, we describe the development of an extended migration operator, which combats the negative effects of noise on the effective search capabilities of genetic algorithms. The research is motivated by the need to minimize the num- ber of evaluations during hardware-in-the-loop experimentation, which can carry a significant cost penalty in terms of time or financial expense. The authors build on previous research, where convergence for search methods such as Simulated Annealing and Variable Neighbourhood search was accelerated by the implementation of an adaptive decision support operator. This methodology was found to be effective in searching noisy data surfaces. Providing that noise is not too significant, Genetic Al- gorithms can prove even more effective guiding experimentation. It will be shown that with the introduction of a Controlled Migration operator into the GA heuristic, data, which repre- sents a significant signal-to-noise ratio, can be searched with significant beneficial effects on the efficiency of hardware-in-the- loop experimentation, without a priori parameter tuning. The method is tested on an engine-in-the-loop experimental example, and shown to bring significant performance benefits