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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

The risk of reinsurance portfolios covering globally occurring natural catastrophes, such as earthquakes and hurricanes, is quantified by employing simulations. These simulations are computationally intensive and require large amounts of…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-02-04 Blesson Varghese

We present a novel hierarchical formulation of the fourth-order forward symplectic integrator and its numerical implementation in the GPU-accelerated direct-summation N-body code FROST. The new integrator is especially suitable for…

Instrumentation and Methods for Astrophysics · Physics 2021-03-12 Antti Rantala , Thorsten Naab , Volker Springel

[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

The quantum algorithm of Quantum Phase Estimation (QPE) was implemented to make the maximum use of GPU emulation with cuQuantum and CUDA Toolkit by NVIDIA. The input and output were handled by HDF5 to make the process as easy as possible.…

Quantum Physics · Physics 2025-07-24 Takaki Akiba , Youhi Morii

We present $\texttt{Abacus}$, a fast and accurate cosmological $N$-body code based on a new method for calculating the gravitational potential from a static multipole mesh. The method analytically separates the near- and far-field forces,…

Cosmology and Nongalactic Astrophysics · Physics 2021-10-25 Lehman H. Garrison , Daniel J. Eisenstein , Douglas Ferrer , Nina A. Maksimova , Philip A. Pinto

This paper reports large-scale direct numerical simulations of homogeneous-isotropic fluid turbulence, achieving sustained performance of 1.08 petaflop/s on gpu hardware using single precision. The simulations use a vortex particle method…

Numerical Analysis · Computer Science 2012-10-30 R. Yokota , L. A. Barba , T. Narumi , K. Yasuoka

Highly-parallel graphics processing units (GPUs) can improve the speed of micromagnetic simulations significantly as compared to conventional computing using central processing units (CPUs). We present a strategy for performing…

Computational Physics · Physics 2015-12-18 C. L. Jermain , G. E. Rowlands , R. A. Buhrman , D. C. Ralph

The cryosphere plays a significant role in Earth's climate system. Therefore, an accurate simulation of sea ice is of great importance to improve climate projections. To enable higher resolution simulations, graphics processing units (GPUs)…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-02-29 Robert Jendersie , Christian Lessig , Thomas Richter

Efficient hybrid DFT simulations of solid state materials would be extremely beneficial for computational chemistry and materials science, but is presently bottlenecked by difficulties in computing Hartree-Fock (HF) exchange with plane wave…

Chemical Physics · Physics 2024-10-30 Yuanheng Wang , Diptarka Hait , Pablo A. Unzueta , Juncheng Harry Zhang , Todd J. Martínez

We present a new scheme to compensate for the small-scales approximations resulting from Particle-Mesh (PM) schemes for cosmological N-body simulations. This kind of simulations are fast and low computational cost realizations of the large…

Cosmology and Nongalactic Astrophysics · Physics 2022-07-21 Denise Lanzieri , François Lanusse , Jean-Luc Starck

Yen et al. (2012) advanced a direct approach for the calculation of self-gravitational force to second order accuracy based on uniform grid discretization. This method improves the accuracy of N-body calculation by using exact integration…

Computational Physics · Physics 2020-01-15 Yao-Huan Tseng , Hsien Shang , Chien-Chang Yen

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

We present sixth- and eighth-order Hermite integrators for astrophysical $N$-body simulations, which use the derivatives of accelerations up to second order ({\it snap}) and third order ({\it crackle}). These schemes do not require previous…

Astrophysics · Physics 2008-11-26 Keigo Nitadori , Junichiro Makino

We consider differential Lyapunov and Riccati equations, and generalized versions thereof. Such equations arise in many different areas and are especially important within the field of optimal control. In order to approximate their…

Numerical Analysis · Mathematics 2018-10-23 Hermann Mena , Lena-Maria Pfurtscheller , Tony Stillfjord

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 propose a hybrid tree algorithm for reducing calculation and communication cost of collision-less N-body simulations. The concept of our algorithm is that we split interaction force into two parts: hard-force from neighbor particles and…

Instrumentation and Methods for Astrophysics · Physics 2014-06-25 Tsuyoshi Watanabe , Naohito Nakasato

We accelerated an ab-initio molecular QMC calculation by using GPGPU. Only the bottle-neck part of the calculation is replaced by CUDA subroutine and performed on GPU. The performance on a (single core CPU + GPU) is compared with that on a…

Computational Physics · Physics 2012-04-06 Yutaka Uejima , Tomoharu Terashima , Ryo Maezono

High-performance graphical processing units (GPU) are used for the repeated parallelised propagation of non-linear partial differential equations on large spatio-temporal grids. The main challenge results as a combination of the requirement…

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