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This article introduces a highly parallel algorithm for molecular dynamics simulations with short-range forces on single node multi- and many-core systems. The algorithm is designed to achieve high parallel speedups for strongly…

Computational Physics · Physics 2013-11-20 R. Meyer

We continue our presentation of VINE. We begin with a description of relevant architectural properties of the serial and shared memory parallel computers on which VINE is intended to run, and describe their influences on the design of the…

Astrophysics · Physics 2009-10-02 Andrew F. Nelson , M. Wetzstein , T. Naab , .

Monte Carlo Tree Search (MCTS) methods have achieved great success in many Artificial Intelligence (AI) benchmarks. The in-tree operations become a critical performance bottleneck in realizing parallel MCTS on CPUs. In this work, we develop…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-08-25 Yuan Meng , Rajgopal Kannan , Viktor Prasanna

Tree-based models have proven to be an effective solution for web ranking as well as other problems in diverse domains. This paper focuses on optimizing the runtime performance of applying such models to make predictions, given an…

Databases · Computer Science 2013-04-29 Nima Asadi , Jimmy Lin , Arjen P. de Vries

Using large-scale multicore systems to get the maximum performance and energy efficiency with manageable programmability is a major challenge. The partitioned global address space (PGAS) programming model enhances programmability by…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-01-01 Jérémie Lagravière , Johannes Langguth , Mohammed Sourouri , Phuong H. Ha , Xing Cai

Due to the variety and importance of applications of treecodes and FMM, the combination of algorithmic acceleration with hardware acceleration can have tremendous impact. Alas, programming these algorithms efficiently is no piece of cake.…

Computational Physics · Physics 2012-08-14 Rio Yokota , Lorena Barba

We present an approach to molecular-dynamics simulations of ferrofluids on graphics processing units (GPUs). Our numerical scheme is based on a GPU-oriented modification of the Barnes-Hut (BH) algorithm designed to increase the parallelism…

Computational Physics · Physics 2013-04-30 A. Yu. Polyakov , T. V. Lyutyy , S. Denisov , V. V. Reva , P. Hanggi

In this paper, we describe the design and performance of GRAPE-6A, a special-purpose computer for gravitational many-body simulations. It was designed to be used with a PC cluster, in which each node has one GRAPE-6A. Such configuration is…

Astrophysics · Physics 2015-06-24 Toshiyuki Fukushige , Junichiro Makino , Atsushi Kawai

This paper focuses on parallel hash functions based on tree modes of operation for an inner Variable-Input-Length function. This inner function can be either a single-block-length (SBL) and prefix-free MD hash function, or a sponge-based…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-06-13 Kevin Atighehchi , Robert Rolland

In this paper, we present a new hybrid algorithm for the time integration of collisional N-body systems. In this algorithm, gravitational force between two particles is divided into short-range and long-range terms, using a…

Earth and Planetary Astrophysics · Physics 2015-05-27 Shoichi Oshino , Yoko Funato , Junichiro Makino

We present and discuss the characteristics and performances, both in term of computational speed and precision, of a numerical code which numerically integrates the equation of motions of N 'particles' interacting via Newtonian gravitation…

Instrumentation and Methods for Astrophysics · Physics 2015-05-18 R. Capuzzo-Dolcetta , A. Mastrobuono-Battisti , D. Maschietti

Efficient implementations of the classical molecular dynamics (MD) method for Lennard-Jones particle systems are considered. Not only general algorithms but also techniques that are efficient for some specific CPU architectures are also…

Statistical Mechanics · Physics 2015-03-17 H. Watanabe , M. Suzuki , N. Ito

It is common practice to use large computational resources to train neural networks, as is known from many examples, such as reinforcement learning applications. However, while massively parallel computing is often used for training models,…

Artificial Intelligence · Computer Science 2021-04-07 Xiufeng Yang , Tanuj Kr Aasawat , Kazuki Yoshizoe

In this study, the gravitational octree code originally optimized for the Fermi, Kepler, and Maxwell GPU architectures is adapted to the Volta architecture. The Volta architecture introduces independent thread scheduling requiring either…

Mathematical Software · Computer Science 2018-11-08 Yohei Miki

The code we describe (FLY) is a newly written code (using the tree N-body method), for three-dimensional self-gravitating collisionless systems evolution. FLY is a fully parallel code based on the tree Barnes-Hut algorithm and periodical…

Astrophysics · Physics 2009-11-06 U. Becciani , V. Antonuccio-Delogu

The time-symmetric block time--step (TSBTS) algorithm is a newly developed efficient scheme for $N$--body integrations. It is constructed on an era-based iteration. In this work, we re-designed the TSBTS integration scheme with dynamically…

Instrumentation and Methods for Astrophysics · Physics 2015-06-05 M. Kaplan , H. Saygin

In this paper, we report the implementation and measured performance of our extreme-scale global simulation code on Sunway TaihuLight and two PEZY-SC2 systems: Shoubu System B and Gyoukou. The numerical algorithm is the parallel Barnes-Hut…

Instrumentation and Methods for Astrophysics · Physics 2019-07-05 Masaki Iwasawa , Daisuke Namekata , Ryo Sakamoto , Takashi Nakamura , Yasuyuki Kimura , Keigo Nitadori , Long Wang , Miyuki Tsubouchi , Jun Makino , Zhao Liu , Haohuan Fu , Guangwen Yang

With the advent of high-performance computing techniques, the data for analysis has grown significantly. Here, graphic processing unit (GPU) based program kernels are discussed to exploit parallelism in the analysis codes specific to…

Computational Physics · Physics 2018-11-07 Gourav Shrivastav , Manish Agarwal

We present a parallel algorithm for computing the treewidth of a graph on a GPU. We implement this algorithm in OpenCL, and experimentally evaluate its performance. Our algorithm is based on an $O^*(2^{n})$-time algorithm that explores the…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-09-29 Tom C. van der Zanden , Hans L. Bodlaender

Achieving efficient task parallelism on many-core architectures is an important challenge. The widely used GNU OpenMP implementation of the popular OpenMP parallel programming model incurs high overhead for fine-grained, short-running tasks…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-03-20 Wenyi Wang , Maxime Gonthier , Poornima Nookala , Haochen Pan , Ian Foster , Ioan Raicu , Kyle Chard