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We have developed a flexible hybrid decomposition parallel implementation of the first-principles molecular dynamics algorithm of Car and Parrinello. The code allows the problem to be decomposed either spatially, over the electronic…

chem-ph · Physics 2009-10-22 James K. Wiggs , Hannes Jonsson

N-body algorithms for long-range unscreened interactions like gravity belong to a class of highly irregular problems whose optimal solution is a challenging task for present-day massively parallel computers. In this paper we describe a…

Computational Physics · Physics 2009-10-30 U. Becciani , R. Ansaloni , V. Antonuccio-Delogu , G. Erbacci , M. Gambera , A. Pagliaro , -

Thread-level parallelism in irregular applications with mutable data dependencies presents challenges because the underlying data is extensively modified during execution of the algorithm and a high degree of parallelism must be realized…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-05-19 Georgios Rokos , Gerard J. Gorman , Kristian Ejlebjerg Jensen , Paul H. J. Kelly

The longitudinal tracking engine of the particle accelerator simulation application PyHEADTAIL shows a heavy potential for parallelisation. For basic beam circulation, the tracking functionality with the leap-frog algorithm is extracted and…

Computational Physics · Physics 2016-10-20 Adrian Oeftiger

We present a modern C++17-compatible thread pool implementation, built from scratch with high-performance scientific computing in mind. The thread pool is implemented as a single lightweight and self-contained class, and does not have any…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-12-29 Barak Shoshany

The library PRAND for pseudorandom number generation for modern CPUs and GPUs is presented. It contains both single-threaded and multi-threaded realizations of a number of modern and most reliable generators recently proposed and studied in…

Computational Physics · Physics 2014-02-18 L. Yu. Barash , L. N. Shchur

Coarse Grained Reconfigurable Arrays (CGRAs) present both high flexibility and efficiency, making them well-suited for the acceleration of intensive workloads. Nevertheless, a key barrier towards their widespread adoption is posed by CGRA…

Software Engineering · Computer Science 2025-09-22 Yuxuan Wang , Cristian Tirelli , Giovanni Ansaloni , Laura Pozzi , David Atienza

Serverless is an attractive computing model that offers seamless scalability and elasticity; it takes the infrastructure management burden away from users and enables a pay-as-you-use billing model. As a result, serverless is becoming…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-07-23 Serhii Ivanenko , Vasyl Lanko , Rudi Horn , Vojin Jovanovic , Rodrigo Bruno

This paper describes a new fast and implicitly parallel approach to neighbour-finding in multi-resolution Smoothed Particle Hydrodynamics (SPH) simulations. This new approach is based on hierarchical cell decompositions and sorted…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-04-10 Pedro Gonnet

We have developed PROGRAPE-1 (PROgrammable GRAPE-1), a programmable multi-purpose computer for many-body simulations. The main difference between PROGRAPE-1 and "traditional" GRAPE systems is that the former uses FPGA (Field Programmable…

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

Visual document understanding typically requires separate retrieval and generation models, doubling memory and system complexity. We present Hydra, a dual-head approach that provides both ColBERT-style late-interaction retrieval and…

Computer Vision and Pattern Recognition · Computer Science 2026-04-21 Athos Georgiou

We present the results from a two-day study in which we discussed various implementations of Smooth Particle Hydrodynamics (SPH), one of the leading methods used across a variety of areas of large-scale astrophysical simulations. In…

Astrophysics · Physics 2007-05-23 Piet Hut , Lars Hernquist , George Lake , Jun Makino , Steve McMillan , Thomas Sterling

Real-time processing of data streams emanating from sensors is becoming a common task in Internet of Things scenarios. The key implementation goal consists in efficiently handling massive incoming data streams and supporting advanced data…

Databases · Computer Science 2017-05-17 Xiangnan Ren , Olivier Curé

In the paper we discuss the main features of the software package for numerical simulations of the surface water dynamics. We consider an approximation of the shallow water equations together with the parallel technologies for NVIDIA CUDA…

Computational Engineering, Finance, and Science · Computer Science 2017-05-03 Tatyana Dyakonova , Alexander Khoperskov , Sergey Khrapov

We have developed a gravity solver based on combining the well developed Particle-Mesh (PM) method and TREE methods. It is designed for and has been implemented on parallel computer architectures. The new code can deal with tens of millions…

Astrophysics · Physics 2009-10-22 Guohong Xu

We describe a new implementation of a parallel N-body tree code. The code is load-balanced using the method of orthogonal recursive bisection to subdivide the N-body system into independent rectangular volumes each of which is mapped to a…

Astrophysics · Physics 2009-10-28 John Dubinski

We discuss the cosmological simulation code GADGET-2, a new massively parallel TreeSPH code, capable of following a collisionless fluid with the N-body method, and an ideal gas by means of smoothed particle hydrodynamics (SPH). Our…

Astrophysics · Physics 2009-11-11 Volker Springel

Constraint Handling Rules is an effective concurrent declarative programming language and a versatile computational logic formalism. CHR programs consist of guarded reactive rules that transform multisets of constraints. One of the main…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-04-09 Thom Fruehwirth

Large-scale, parallel clusters composed of commodity processors are increasingly available, enabling the use of vast processing capabilities and distributed RAM to solve hard search problems. We investigate Hash-Distributed A* (HDA*), a…

Artificial Intelligence · Computer Science 2015-03-20 Akihiro Kishimoto , Alex Fukunaga , Adi Botea