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This work describes the SIMD vectorization of the force calculation of the Lennard-Jones potential with Intel AVX2 and AVX-512 instruction sets. Since the force-calculation kernel of the molecular dynamics method involves indirect access to…

Mathematical Software · Computer Science 2019-02-20 Hiroshi Watanabe , Koh M. Nakagawa

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

SSE (streaming SIMD extensions) and AVX (advanced vector extensions) are SIMD (single instruction multiple data streams) instruction sets supported by recent CPUs manufactured in Intel and AMD. This SIMD programming allows parallel…

High Energy Physics - Lattice · Physics 2013-11-05 Hwancheol Jeong , Sunghoon Kim , Weonjong Lee , Seok-Ho Myung

In the advent of big data era, interactive visualization of large data sets consisting of M*10^5+ high-dimensional feature vectors of length N (N ~ 10^3+), is an indispensable tool for data exploratory analysis. The state-of-the-art data…

Machine Learning · Computer Science 2019-02-05 Witold Dzwinel , Rafal Wcislo , Stan Matwin

Gadget3 is nowadays one of the most frequently used high performing parallel codes for cosmological hydrodynamical simulations. Recent analyses have shown t\ hat the Neighbour Search process of Gadget3 is one of the most time-consuming…

Instrumentation and Methods for Astrophysics · Physics 2018-11-07 Antonio Ragagnin , Nikola Tchipev , Michael Bader , Klaus Dolag , Nicolay J. Hammer

This work presents the mathematical and computational aspects of a smooth dissipative particle dynamics with dynamic virtual particle allocation method (SDPD-DV) for modeling and simulation of mesoscopic fluids in wall-bounded domains. The…

Fluid Dynamics · Physics 2017-08-24 Jun Yang

Smoothed Particle Hydrodynamics (SPH) is essential for modeling complex large-deformation problems across various applications, requiring significant computational power. A major portion of SPH computation time is dedicated to the Nearest…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-01-23 Zirui Mao , Xinyi Li , Shenyang Hu , Ganesh Gopalakrishnan , Ang Li

LiDAR sensors are widely used in autonomous vehicles to better perceive the environment. However, prior works have shown that LiDAR signals can be spoofed to hide real objects from 3D object detectors. This study explores the feasibility of…

Computer Vision and Pattern Recognition · Computer Science 2024-06-04 Chengzeng You , Zhongyuan Hau , Binbin Xu , Soteris Demetriou

Vision Transformers (ViTs) enabled the use of the transformer architecture on vision tasks showing impressive performances when trained on big datasets. However, on relatively small datasets, ViTs are less accurate given their lack of…

Computer Vision and Pattern Recognition · Computer Science 2022-10-14 Guglielmo Camporese , Elena Izzo , Lamberto Ballan

Single Instruction, Multiple Data (SIMD) vectorization is a major driver of performance in current architectures, and is mandatory for achieving good performance with codes that are limited by instruction throughput. We investigate the…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-01-30 Johannes Hofmann , Jan Treibig , Georg Hager , Gerhard Wellein

We give a nearly optimal sublinear-time algorithm for approximating the size of a minimum vertex cover in a graph G. The algorithm may query the degree deg(v) of any vertex v of its choice, and for each 1 <= i <= deg(v), it may ask for the…

Data Structures and Algorithms · Computer Science 2011-10-06 Krzysztof Onak , Dana Ron , Michal Rosen , Ronitt Rubinfeld

The performance of particle advection-based flow visualization techniques is complex, since computational work can vary based on many factors, including number of particles, duration, and mesh type. Further, while many approaches have been…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-01-24 Abhishek Yenpure , Sudhanshu Sane , Roba Binyahib , David Pugmire , Christoph Garth , Hank Childs

New explicit velocity- and position-Verlet-like algorithms of the second order are proposed to integrate the equations of motion in many-body systems. The algorithms are derived on the basis of an extended decomposition scheme at the…

Statistical Mechanics · Physics 2009-11-07 Igor Omelyan , Ihor Mryglod , Reinhard Folk

We have developed a compressed neighbor list for short-range particle-particle interaction based on a space- filling curve (SFC) memory layout and particle clusters. The neighbor list can be constructed efficiently on GPUs, supporting…

Computational Engineering, Finance, and Science · Computer Science 2026-02-24 Felix Thaler , Sebastian Keller

The complexity of combustion simulations demands the latest high-performance computing tools to accelerate its time-to-solution results. A current trend on HPC systems is the utilization of CPUs with SIMD or vector extensions to exploit…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-10-24 Fabio Banchelli , Guillermo Oyarzun , Marta Garcia-Gasulla , Filippo Mantovani , Ambrus Both , Guillaume Houzeaux , Daniel Mira

Tiny object detection is becoming one of the most challenging tasks in computer vision because of the limited object size and lack of information. The label assignment strategy is a key factor affecting the accuracy of object detection.…

Computer Vision and Pattern Recognition · Computer Science 2024-07-29 Shuohao Shi , Qiang Fang , Tong Zhao , Xin Xu

We consider gradient descent like algorithms for Support Vector Machine (SVM) training when the data is in relational form. The gradient of the SVM objective can not be efficiently computed by known techniques as it suffers from the…

Data Structures and Algorithms · Computer Science 2020-05-13 Mahmoud Abo-Khamis , Sungjin Im , Benjamin Moseley , Kirk Pruhs , Alireza Samadian

In this paper we present a new variable time step criterion for the velocity-Verlet algorithm allowing to correctly simulate the dynamics of charged particles exchanging energy via Coulomb collisions while minimising simulation time. We…

We describe a simple and fast algorithm for identifying friends-of-friends features and prove its correctness. The algorithm avoids unnecessary expensive neighbor queries, uses minimal memory overhead, and rejects slowdown in high…

Instrumentation and Methods for Astrophysics · Physics 2017-06-02 Yu Feng , Chirag Modi

Starting from the single graphics processing unit (GPU) version of the Smoothed Particle Hydrodynamics (SPH) code DualSPHysics, a multi-GPU SPH program is developed for free-surface flows. The approach is based on a spatial decomposition…

Computational Physics · Physics 2012-10-04 Daniel Valdez-Balderas , José M. Domínguez , Benedict D. Rogers , Alejandro J. C. Crespo