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Molecular dynamics simulations are one of the methods in scientific computing that benefit from GPU acceleration. For those devices, SYCL is a promising API for writing portable codes. In this paper, we present the case study of "HAL's MD…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-06-07 Viktor Skoblin , Felix Höfling , Steffen Christgau

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

These notes accompany the open-source code published in GitHub which implements a GPU-based line-segment, surface-triangle intersection algorithm in CUDA. It mentions some relevant works and discusses issues specific to this implementation.…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-09-08 Raymond Leung

We analyze the circumgalactic medium (CGM) for eight commonly-used cosmological codes in the AGORA collaboration. The codes are calibrated to use identical initial conditions, cosmology, heating and cooling, and star formation thresholds,…

AlfaMC is a Monte Carlo simulation code for the transport of alpha particles. The code is based on the Continuous Slowing Down Approximation and uses the NIST/ASTAR stopping-power database. The code uses a powerful geometrical package…

Computational Physics · Physics 2017-11-07 Luis Peralta , Alina Louro

We introduce generalized spatially coupled parallel concatenated codes (GSC-PCCs), a class of spatially coupled turbo-like codes obtained by coupling parallel concatenated codes (PCCs) with a fraction of information bits repeated before the…

Information Theory · Computer Science 2021-05-04 Min Qiu , Xiaowei Wu , Jinhong Yuan , Alexandre Graell i Amat

We describe how quantum Monte Carlo calculations using the CASINO software can be accelerated using graphics processing units (GPUs) and OpenACC. In particular we consider offloading Ewald summation, the evaluation of long-range two-body…

Computational Physics · Physics 2025-12-24 B. Thorpe , M. J. Smith , P. J. Hasnip , N. D. Drummond

Finding a software engineering approach that allows for portability, rapid development, and open collaboration for high-performance computing on GPUs and CPUs is a challenge. We implement a portability scheme using the Numba compiler for…

Computational Physics · Physics 2025-05-30 Joanna Piper Morgan , Ilham Variansyah , Braxton Cuneo , Todd S. Palmer , Kyle E. Niemeyer

The "gravitational million-body problem," to model the dynamical evolution of a self-gravitating, collisional N-body system with ~10^6 particles over many relaxation times, remains a major challenge in computational astrophysics.…

Instrumentation and Methods for Astrophysics · Physics 2018-12-07 Carl L. Rodriguez , Bharath Pattabiraman , Sourav Chatterjee , Alok Choudhary , Wei-keng Liao , Meagan Morscher , Frederic A. Rasio

We present Horizon, a new graphics processing unit (GPU)-accelerated code to solve the equations of general relativistic magnetohydrodynamics in a given spacetime. We evaluate the code in several test cases, including magnetized Riemann…

General Relativity and Quantum Cosmology · Physics 2011-02-28 Burkhard Zink

We present preliminary results on the parallelization of a Tree-Code for evaluating gravitational forces in N-body astrophysical systems. Our HPF/CRAFT implementation on a CRAY T3E machine attained an encouraging speed-up behavior, reaching…

Astrophysics · Physics 2009-10-31 Roberto Capuzzo-Dolcetta , Paolo Miocchi

Parallel computing has turned out to be the enabling technology to solve complex physical systems. However, the transition from shared memory, vector computers to massively parallel, distributed memory systems and, recently, to hybrid…

Astrophysics · Physics 2007-05-23 P. Hoeflich

Graphics processing units (GPUs) are recently being used to an increasing degree for general computational purposes. This development is motivated by their theoretical peak performance, which significantly exceeds that of broadly available…

Computational Physics · Physics 2015-03-17 Martin Weigel

Numerical solutions of the cosmic-ray (CR) magneto-hydrodynamic equations are dogged by a powerful numerical instability, which arises from the constraint that CRs can only stream down their gradient. The standard cure is to regularize by…

High Energy Astrophysical Phenomena · Physics 2018-03-16 Yan-Fei Jiang , Peng Oh

The Monte Carlo method is a powerful technique for computing thermodynamic magnetic states of otherwise unsolvable spin Hamiltonians, but the method becomes computationally prohibitive with increasing number of spins and the simulation of…

Computational Physics · Physics 2021-06-22 Michalis Charilaou

In this paper we study from a numerical analysis perspective the Fractional Step Kinetic Monte Carlo (FS-KMC) algorithms proposed in [1] for the parallel simulation of spatially distributed particle systems on a lattice. FS-KMC are…

Numerical Analysis · Mathematics 2012-08-07 Giorgos Arampatzis , Markos A. Katsoulakis , Petr Plechac

In this paper we present an optimized parallel implementation of a flexible MAP decoder for synchronization error correcting codes, supporting a very wide range of code sizes and channel conditions. On mid-range GPUs we demonstrate decoding…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-02-26 Johann A. Briffa

A novel parallelization paradigm has been developed for multi-GPU architectures. Classical multi-GPU parallelization for SPH rely on domain decomposition. In our approach each particle can be assigned to a GPU independently of its position…

Computational Physics · Physics 2023-10-06 Thomas Unfer , Anthony Collé , Jérôme Limido

This paper presents the Parallel Coupler for Multimodel Simulations (PCMS), a new GPU accelerated generalized coupling framework for coupling simulation codes on leadership class supercomputers. PCMS includes distributed control and field…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-10-22 Jacob S. Merson , Cameron W. Smith , Mark S. Shephard , Fuad Hasan , Abhiyan Paudel , Angel Castillo-Crooke , Joyal Mathew , Mohammad Elahi

As an important application of spatial databases in pathology imaging analysis, cross-comparing the spatial boundaries of a huge amount of segmented micro-anatomic objects demands extremely data- and compute-intensive operations, requiring…

Databases · Computer Science 2012-08-02 Kaibo Wang , Yin Huai , Rubao Lee , Fusheng Wang , Xiaodong Zhang , Joel H. Saltz