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The performance potential for simulating quantum electron transport on graphical processing units (GPUs) is studied. Using graphene ribbons of realistic sizes as an example it is shown that GPUs provide significant speed-ups in comparison…

Computational Physics · Physics 2012-06-22 S. Ihnatsenka

New challenges in Astronomy and Astrophysics (AA) are urging the need for a large number of exceptionally computationally intensive simulations. "Exascale" (and beyond) computational facilities are mandatory to address the size of…

GPU has a significantly higher performance in single-precision computing than that of double precision. Hence, it is important to take a maximal advantage of the single precision in the CG inverter, using the mixed precision method. We have…

Computational Physics · Physics 2011-11-02 Yong-Chull Jang , Hyung-Jin Kim , Weonjong Lee

Graphics Processing Units (GPUs) support dynamic voltage and frequency scaling (DVFS) in order to balance computational performance and energy consumption. However, there still lacks simple and accurate performance estimation of a given GPU…

Performance · Computer Science 2018-06-14 Qiang Wang , Xiaowen Chu

We propose an efficient method for active particle selection, working with Hermite Individual Time Steps (HITS) scheme in direct N-body simulation code $\varphi$GRAPE. For a simulation with $N$ particles, this method can reduce the…

Data Structures and Algorithms · Computer Science 2014-09-16 Shiyan Zhong

[Abridged] We present the results of a highly parallel Kepler equation solver using the Graphics Processing Unit (GPU) on a commercial nVidia GeForce 280GTX and the "Compute Unified Device Architecture" programming environment. We apply…

Astrophysics · Physics 2008-12-17 Eric B. Ford

We present the multi-GPU realization of the StePS (Stereographically Projected Cosmological Simulations) algorithm with MPI-OpenMP-CUDA hybrid parallelization and nearly ideal scale-out to multiple compute nodes. Our new zoom-in…

Cosmology and Nongalactic Astrophysics · Physics 2019-03-22 Gábor Rácz , István Szapudi , László Dobos , István Csabai , Alexander S. Szalay

Due to the very long timescales involved (us-s), theoretical modeling of fundamental biological processes including folding, misfolding, and mechanical unraveling of biomolecules, under physiologically relevant conditions, is challenging…

Soft Condensed Matter · Physics 2010-03-08 A. Zhmurov , R. I. Dima , Y. Kholodov , V. Barsegov

We present parallel algorithms for constructing and traversing sparse octrees on graphics processing units (GPUs). The algorithms are based on parallel-scan and sort methods. To test the performance and feasibility, we implemented them in…

Instrumentation and Methods for Astrophysics · Physics 2012-04-11 Jeroen Bédorf , Evghenii Gaburov , Simon Portegies Zwart

A finite-difference Micromagnetic simulation code written in MATLAB is presented with Graphics Processing Unit (GPU) acceleration. The high performance of Graphics Processing Unit (GPU) is demonstrated compared to a typical Central…

Computational Engineering, Finance, and Science · Computer Science 2015-01-30 Ru Zhu

In this paper, we describe the performance of an $N$-body simulation of star cluster with 64k stars on a Cray XD1 system with 400 dual-core Opteron processors. A number of astrophysical $N$-body simulations were reported in SCxy…

Astrophysics · Physics 2007-05-23 Keigo Nitadori , Junichiro Makino , George Abe

One of the main challenges in Heavy Energy Physics is to make fast analysis of high amount of experimental and simulated data. At LHC-CERN one p-p event is approximate 1 Mb in size. The time taken to analyze the data and obtain fast results…

Distributed, Parallel, and Cluster Computing · Computer Science 2011-07-01 Mihai Niculescu , Sorin-Ion Zgura

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

Graphics processing units (GPUs) are gaining widespread use in computational chemistry and other scientific simulation contexts because of their huge performance advantages relative to conventional CPUs. However, the reliability of GPUs in…

Hardware Architecture · Computer Science 2009-11-14 Imran S. Haque , Vijay S. Pande

Gaussian processes (GPs) are flexible non-parametric models, with a capacity that grows with the available data. However, computational constraints with standard inference procedures have limited exact GPs to problems with fewer than about…

We present an implementation of the analysis of dynamic near field scattering (NFS) data using a graphics processing unit (GPU). We introduce an optimized data management scheme thereby limiting the number of operations required. Overall,…

Data Analysis, Statistics and Probability · Physics 2012-10-04 Giovanni Cerchiari , Fabrizio Croccolo , Frédéric Cardinaux , Frank Scheffold

We present a high-fidelity realization of the cosmological $N$-body simulation from the Schneider et al. (2016) code comparison project. The simulation was performed with our Abacus $N$-body code, which offers high force accuracy, high…

Cosmology and Nongalactic Astrophysics · Physics 2019-03-26 Lehman H. Garrison , Daniel J. Eisenstein , Philip A. Pinto

We describe source code level parallelization for the {\tt kira} direct gravitational $N$-body integrator, the workhorse of the {\tt starlab} production environment for simulating dense stellar systems. The parallelization strategy, called…

Molecular dynamics (MD) simulation is a powerful computational tool to study the behavior of macromolecular systems. But many simulations of this field are limited in spatial or temporal scale by the available computational resource. In…

Computational Physics · Physics 2010-01-22 Ji Xu , Ying Ren , Wei Ge , Xiang Yu , Xiaozhen Yang , Jinghai Li

The kd-tree is a fundamental tool in computer science. Among others, an application of the kd-tree search (oct-tree method) to fast evaluation of particle interactions and neighbor search is highly important since computational complexity…

Instrumentation and Methods for Astrophysics · Physics 2009-09-04 N. Nakasato
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