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This article describes algorithms for the hybrid parallelization and SIMD vectorization of molecular dynamics simulations with short-range forces. The parallelization method combines domain decomposition with a thread-based parallelization…

Materials Science · Physics 2017-09-13 Chris M. Mangiardi , Ralf Meyer

In this paper we deal with the impact of multi and many-core processor architectures on simulation. Despite the fact that modern CPUs have an increasingly large number of cores, most softwares are still unable to take advantage of them. In…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-07-30 Gabriele D'Angelo , Stefano Ferretti , Moreno Marzolla

Evaluating how well a whole system or set of subsystems performs is one of the primary objectives of performance testing. We can tell via performance assessment if the architecture implementation meets the design objectives. Performance…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-09-15 Donald Ene Vincent Ike Anireh

Parallel application I/O performance often does not meet user expectations. Additionally, slight access pattern modifications may lead to significant changes in performance due to complex interactions between hardware and software. These…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-07-19 Julian M. Kunkel , Eugen Betke , Matt Bryson , Philip Carns , Rosemary Francis , Wolfgang Frings , Roland Laifer , Sandra Mendez

Harmonic model predictive control (HMPC) is a model predictive control (MPC) formulation which displays several benefits over other MPC formulations, especially when using a small prediction horizon. These benefits, however, come at the…

Optimization and Control · Mathematics 2022-11-16 Pablo Krupa , Daniel Limon , Alberto Bemporad , Teodoro Alamo

The construction of Mapper has emerged in the last decade as a powerful and effective topological data analysis tool that approximates and generalizes other topological summaries, such as the Reeb graph, the contour tree, split, and joint…

Computer Vision and Pattern Recognition · Computer Science 2020-09-15 Mustafa Hajij , Basem Assiri , Paul Rosen

We describe how long-term solar system orbit integration could be implemented on a parallel computer. The interesting feature of our algorithm is that each processor is assigned not to a planet or a pair of planets but to a time-interval.…

Astrophysics · Physics 2009-10-28 Prasenjit Saha , Joachim Stadel , Scott Tremaine

Nested parallelism exists in scientific codes that are searching multi-dimensional spaces. However, implementations of nested parallelism often have overhead and load balance issues. The Orbital Analysis code we present exhibits a sparse…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-08-01 Benjamin James Gaska , Neha Jothi , Mahdi Soltan Mohammadi , Kat Volk , Michelle Mills Strout

Synchronization of identical harmonic oscillators interconnected via position, velocity, and acceleration couplings is studied. How to construct a complex Laplacian matrix representing the overall coupling is presented. It is shown that the…

Optimization and Control · Mathematics 2020-07-16 S. Emre Tuna

We discuss the computational bottlenecks in molecular dynamics (MD) and describe the challenges in parallelizing the computation intensive tasks. We present a hybrid algorithm using MPI (Message Passing Interface) with OpenMP threads for…

Computational Physics · Physics 2015-07-28 Anirban Pal , Abhishek Agarwala , Soumyendu Raha , Baidurya Bhattacharya

Optimal multiple sequence alignment by dynamic programming, like many highly dimensional scientific computing problems, has failed to benefit from the improvements in computing performance brought about by multi-processor systems, due to…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-11-30 Manal Helal , Hossam El-Gindy , Lenore Mullin , Bruno Gaeta

We propose a parallel adaptive constraint-tightening approach to solve a linear model predictive control problem for discrete-time systems, based on inexact numerical optimization algorithms and operator splitting methods. The underlying…

Optimization and Control · Mathematics 2015-03-24 Laura Ferranti , Tamas Keviczky

In typical embedded applications, the precise execution time of the program does not matter, and it is sufficient to meet a real-time deadline. However, modern applications in information security have become much more time-sensitive, due…

Cryptography and Security · Computer Science 2020-05-07 Pantea Kiaei , Patrick Schaumont

The Massive Parallel Computing (MPC) model gained popularity during the last decade and it is now seen as the standard model for processing large scale data. One significant shortcoming of the model is that it assumes to work on static…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-05-23 Giuseppe F. Italiano , Silvio Lattanzi , Vahab S. Mirrokni , Nikos Parotsidis

Clock synchronization is a widely discussed topic in the engineering literature. Ensuring that individual clocks are closely aligned is important in network systems, since the correct timing of various events in a network is usually…

Systems and Control · Computer Science 2017-04-25 Timothy Anglea , Yongqiang Wang

Currently, multi/many-core CPUs are considered standard in most types of computers including, mobile phones, PCs or supercomputers. However, the parallelization of applications as well as refactoring/design of applications for efficient…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-05-25 Garip Kusoglu , Berenger Bramas , Stephane Genaud

Applications to process seismic data employ scalable parallel systems to produce timely results. To fully exploit emerging processor architectures, application will need to employ threaded parallelism within a node and message passing…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-03-15 Sri Raj Paul , John Mellor-Crummey , Mauricio Araya-Polo , Detlef Hohl

Parallel loops are an important part of OpenMP programs. Efficient scheduling of parallel loops can improve performance of the programs. The current OpenMP specification only offers three options for loop scheduling, which are insufficient…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-07-10 Vivek Kale , Christian Iwainsky , Michael Klemm , Jonas H. Muller Korndorfer , Florina M. Ciorba

Parallel jobs are different from sequential jobs and require a different type of process management. We present here a process management system for parallel programs such as those written using MPI. A primary goal of the system, which we…

Distributed, Parallel, and Cluster Computing · Computer Science 2007-05-23 Ralph Butler , William Gropp , Ewing Lusk

The imposition of real-time constraints on a parallel computing environment- specifically high-performance, cluster-computing systems- introduces a variety of challenges with respect to the formal verification of the system's timing…

Logic in Computer Science · Computer Science 2013-01-03 Peter Hui , Satish Chikkagoudar