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Modern graphics processing units (GPUs) lead to a major increase in the performance of the computation of astrophysical simulations. Owing to the different nature of GPU architecture compared to traditional central processing units (CPUs)…

Earth and Planetary Astrophysics · Physics 2016-04-13 Christoph M. Schäfer , Sven Riecker , Thomas I. Maindl , Roland Speith , Samuel Scherrer , Wilhelm Kley

iPIC3D is a widely used massively parallel Particle-in-Cell code for the simulation of space plasmas. However, its current implementation does not support execution on multiple GPUs. In this paper, we describe the porting of iPIC3D particle…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-06-27 Chaitanya Prasad Sishtla , Steven W. D. Chien , Vyacheslav Olshevsky , Erwin Laure , Stefano Markidis

Model selection in Gaussian processes scales prohibitively with the size of the training dataset, both in time and memory. While many approximations exist, all incur inevitable approximation error. Recent work accounts for this error in the…

Machine Learning · Computer Science 2025-07-08 Jonathan Wenger , Kaiwen Wu , Philipp Hennig , Jacob R. Gardner , Geoff Pleiss , John P. Cunningham

One of application that needs high performance computing resources is molecular d ynamic. There is some software available that perform molecular dynamic, one of these is a well known GROMACS. Our previous experiment simulating molecular…

Distributed, Parallel, and Cluster Computing · Computer Science 2012-10-17 Heru Suhartanto , Arry Yanuar , Ari Wibisono

Molecular dynamics facilitates the simulation of a complex system to be analyzed at molecular and atomic levels. Simulations can last a long period of time, even months. Due to this cause the graphics processing units (GPUs) and multi-core…

Computational Physics · Physics 2021-02-02 Iuliana Marin , Nicolae Goga , Maria Goga

Graphics Processing Units (GPUs) are now powerful and flexible systems adapted and used for other purposes than graphics calculations (General Purpose computation on GPU -- GPGPU). We present here a prototype to be integrated into…

Distributed, Parallel, and Cluster Computing · Computer Science 2007-06-13 Sylvain Collange , Marc Daumas , David Defour

Structural parameters are normally extracted from observed galaxies by fitting analytic light profiles to the observations. Obtaining accurate fits to high-resolution images is a computationally expensive task, requiring many model…

Instrumentation and Methods for Astrophysics · Physics 2015-03-17 Benjamin R. Barsdell , David G. Barnes , Christopher J. Fluke

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

In this paper, we describe the architecture and performance of the GRAPE-6 system, a massively-parallel special-purpose computer for astrophysical $N$-body simulations. GRAPE-6 is the successor of GRAPE-4, which was completed in 1995 and…

Astrophysics · Physics 2015-06-24 Junichiro Makino , Toshiyuki Fukushige , Masaki Koga , Ken Namura

We present a new parallel PM N-body code named PMFAST that is freely available to the public. PMFAST is based on a two-level mesh gravity solver where the gravitational forces are separated into long and short range components. The…

Astrophysics · Physics 2007-05-23 Hugh Merz , Ue-Li Pen , Hy Trac

The graphics processing unit (GPU) has emerged as a powerful and cost effective processor for general performance computing. GPUs are capable of an order of magnitude more floating-point operations per second as compared to modern central…

Computation · Statistics 2012-07-24 Mark Franey , Pritam Ranjan , Hugh Chipman

We introduce a GPU-accelerated multigrid Gaussian-Plane-Wave density fitting (FFTDF) approach for efficient Fock builds and nuclear gradient evaluations within Kohn-Sham density functional theory, as implemented in the GPU4PySCF module of…

Chemical Physics · Physics 2026-03-27 Rui Li , Xing Zhang , Qiming Sun , Yuanheng Wang , Junjie Yang , Garnet Kin-Lic Chan

General purpose computing on graphic processing units (GPU) is a potential method of speeding up scientific computation with low cost and high energy efficiency. We experimented with the particle physics simulation toolkit Geant4 used at…

Computational Physics · Physics 2012-09-25 Otto Seiskari , Jukka Kommeri , Tapio Niemi

Astrophysical Challenges which demand the solution of the one million (or more) gravitating body problem are briefly discussed for the fields of cosmology, galactic nuclei and globular star clusters. Results from the classical three-body…

Astrophysics · Physics 2016-11-23 R. Spurzem , A. Kugel

Cosmological large scale structure $N$-body simulations are computation-light, memory-heavy problems in supercomputing. The considerable amount of memory is usually dominated by an inefficient way of storing more than sufficient phase space…

Cosmology and Nongalactic Astrophysics · Physics 2018-07-31 Hao-Ran Yu , Ue-Li Pen , Xin Wang

The introduction of accelerator devices such as graphics processing units (GPUs) has had profound impact on molecular dynamics simulations and has enabled order-of-magnitude performance advances using commodity hardware. To fully reap these…

Computational Physics · Physics 2020-10-28 Szilárd Páll , Artem Zhmurov , Paul Bauer , Mark Abraham , Magnus Lundborg , Alan Gray , Berk Hess , Erik Lindahl

The latest Graphics Processing Units (GPUs) are reported to reach up to 200 billion floating point operations per second (200 Gflops) and to have price performance of 0.1 cents per M flop. These facts raise great interest in the…

Graphics · Computer Science 2016-08-31 S. Tomov , M. McGuigan , R. Bennett , G. Smith , J. Spiletic

In this report, some cosmological correlation functions are used to evaluate the differential performance between C2075 and P100 GPU cards. In the past, the correlation functions used in this work have been widely studied and exploited on…

As an entry for the 1999 Gordon Bell price/performance prize, we report an astrophysical N-body simulation performed with a treecode on GRAPE-5 (Gravity Pipe 5) system, a special-purpose computer for astrophysical N-body simulations. The…

Astrophysics · Physics 2007-05-23 Atsushi Kawai , Toshiyuki Fukushige , Junichiro Makino

A new implementation of many-body calculations is of paramount importance in the field of computational physics. In this study, we leverage the capabilities of Field Programmable Gate Arrays (FPGAs) for conducting quantum many-body…

Strongly Correlated Electrons · Physics 2025-04-17 Songtai Lv , Yang Liang , Yuchen Meng , Xiaochen Yao , Jincheng Xu , Yang Liu , Qibin Zheng , Haiyuan Zou