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We present a GPU implementation of LAMMPS, a widely-used parallel molecular dynamics (MD) software package, and show 5x to 13x single node speedups versus the CPU-only version of LAMMPS. This new CUDA package for LAMMPS also enables…

Materials Science · Physics 2011-03-08 Christian R. Trott , Lars Winterfeld , Paul S. Crozier

This report presents a comprehensive analysis of the performance of GPU accelerated meshfree CFD solvers for two-dimensional compressible flows in Fortran, C++, Python, and Julia. The programming model CUDA is used to develop the GPU codes.…

Programming Languages · Computer Science 2023-05-03 Nischay Ram Mamidi , Kumar Prasun , Dhruv Saxena , Anil Nemili , Bharatkumar Sharma , S. M. Deshpande

Python is rapidly becoming the lingua franca of machine learning and scientific computing. With the broad use of frameworks such as Numpy, SciPy, and TensorFlow, scientific computing and machine learning are seeing a productivity boost on…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-09-01 Zane Fink , Simeng Liu , Jaemin Choi , Matthias Diener , Laxmikant V. Kale

The simulation of heat flow through heterogeneous material is important for the design of structural and electronic components. Classical analytical solutions to the heat equation PDE are not known for many such domains, even those having…

Numerical Analysis · Mathematics 2019-05-21 Andrew Loeb , Christopher Earls

Regional hydrology studies are often supported by high resolution simulations of subsurface flow that require expensive and extensive computations. Efficient usage of the latest high performance parallel computing systems becomes a…

Mathematical Software · Computer Science 2017-10-04 Carsten Burstedde , Jose A. Fonseca , Stefan Kollet

Future experiments in high-energy physics will pose stringent requirements to computing, in particular to real-time data processing. As an example, the CBM experiment at FAIR Germany intends to perform online data selection exclusively in…

Computational Physics · Physics 2020-02-06 V. Singhal , S. Chattopadhyay , V. Friese

In this paper, we present a parallel algorithm for Monte Carlo simulation of the 2D Ising Model to perform efficiently on a cluster computer using MPI. We use C++ programming language to implement the algorithm. In our algorithm, every…

Computational Physics · Physics 2018-11-13 Dariush Hassani , Shahnoosh Rafibakhsh

Monte Carlo / Dynamic Code (MC/DC) is a portable Monte Carlo neutron transport package for rapid numerical methods exploration in heterogeneous and HPC contexts, developed under the auspices of the Center for Exascale Monte Carlo Neutron…

Computational Physics · Physics 2025-06-03 Braxton Cuneo , Joanna Piper Morgan , Ilham Variansyah , Kyle E. Niemeyer

We previously developed an algorithm, called resolution exchange, which improves canonical sampling of atomic resolution models by swapping conformations between high- and low-resolution simulations[1]. Here, we demonstrate a generally…

Biological Physics · Physics 2007-05-23 Edward Lyman , Daniel M. Zuckerman

The trend towards highly parallel multi-processing is ubiquitous in all modern computer architectures, ranging from handheld devices to large-scale HPC systems; yet many applications are struggling to fully utilise the multiple levels of…

Distributed, Parallel, and Cluster Computing · Computer Science 2013-07-19 Michael Lange , Gerard Gorman , Michele Weiland , Lawrence Mitchell , Xiaohu Guo , James Southern

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

The recent trend of using Graphics Processing Units (GPU's) for high performance computations is driven by the high ratio of price performance for these units, complemented by their cost effectiveness. At first glance, computational fluid…

Computational Engineering, Finance, and Science · Computer Science 2018-02-13 Kiril S. Shterev

MapReduce and its variants have significantly simplified and accelerated the process of developing parallel programs. However, most MapReduce implementations focus on data-intensive tasks while many real-world tasks are compute intensive…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-02-07 Junhao Li , Hang Zhang

Diffusion models have achieved remarkable progress in high-fidelity image, video, and audio generation, yet inference remains computationally expensive. Nevertheless, current diffusion acceleration methods based on distributed parallelism…

Computer Vision and Pattern Recognition · Computer Science 2026-02-26 Euisoo Jung , Byunghyun Kim , Hyunjin Kim , Seonghye Cho , Jae-Gil Lee

Current climate change has posed a grand challenge in the field of numerical modeling due to its complex, multiscale dynamics. In hydrological modeling, the increasing demand for high-resolution, real-time simulations has led to the…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-11-04 Johansell Villalobos , Daniel Caviedes-Voullième , Silvio Rizzi , Esteban Meneses

In this paper, we propose the Templet -- a runtime system for actor programming of high performance computing in C++. We provide a compact source code of the runtime system, which uses standard library of C++11 only. We demonstrate how it…

Programming Languages · Computer Science 2017-02-20 Sergey Vostokin , Ekaterina Skoryupina

Graphics Processing Units (GPUs) are having a transformational effect on numerical lattice quantum chromodynamics (LQCD) calculations of importance in nuclear and particle physics. The QUDA library provides a package of mixed precision…

High Energy Physics - Lattice · Physics 2010-12-06 Ronald Babich , Michael A. Clark , Bálint Joó

The convex hull is a fundamental geometrical structure for many applications where groups of points must be enclosed or represented by a convex polygon. Although efficient sequential convex hull algorithms exist, and are constantly being…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-09-27 Alan Keith , Héctor Ferrada , Cristóbal A. Navarro

OpenCAEPoro is a parallel numerical simulation software developed in C++ for simulating multiphase and multicomponent flows in porous media. The software utilizes a set of general-purpose compositional model equations, enabling it to handle…

Mathematical Software · Computer Science 2024-06-18 Shizhe Li , Chen-Song Zhang

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