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This article introduces a highly parallel algorithm for molecular dynamics simulations with short-range forces on single node multi- and many-core systems. The algorithm is designed to achieve high parallel speedups for strongly…

Computational Physics · Physics 2013-11-20 R. Meyer

Efficient simulation of complex plasma dynamics is crucial for advancing fusion energy research. Particle-in-Cell (PIC) Monte Carlo (MC) simulations provide insights into plasma behavior, including turbulence and confinement, which are…

Nested parallelism exists in scientific codes that are searching multi-dimensional spaces. However, implementations of nested parallelism often have overhead and load balance issues. The Orbital Analysis code we present exhibits a sparse…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-08-01 Benjamin James Gaska , Neha Jothi , Mahdi Soltan Mohammadi , Kat Volk , Michelle Mills Strout

Task-based programming models like OmpSs-2 and OpenMP provide a flexible data-flow execution model to exploit dynamic, irregular and nested parallelism. Providing an efficient implementation that scales well with small granularity tasks…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-05-18 David Álvarez , Kevin Sala , Marcos Maroñas , Aleix Roca , Vicenç Beltran

Memory system is often the main bottleneck in chipmultiprocessor (CMP) systems in terms of latency, bandwidth and efficiency, and recently additionally facing capacity and power problems in an era of big data. A lot of research works have…

Hardware Architecture · Computer Science 2014-04-10 Licheng Chen , Tianyue Lu , Yanan Wang , Mingyu Chen , Yuan Ruan , Zehan Cui , Yongbing Huang , Mingyang Chen , Jiutian Zhang , Yungang Bao

Modern HPC systems are increasingly relying on greater core counts and wider vector registers. Thus, applications need to be adapted to fully utilize these hardware capabilities. One class of applications that can benefit from this increase…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-06-16 James Vance , Zhen-Hao Xu , Nikita Tretyakov , Torsten Stuehn , Markus Rampp , Sebastian Eibl , Christoph Junghans , André Brinkmann

We describe ZEUS-MP: a Multi-Physics, Massively-Parallel, Message-Passing code for astrophysical fluid dynamics simulations in 3 dimensions. ZEUS-MP is a follow-on to the sequential ZEUS-2D and ZEUS-3D codes developed and disseminated by…

Astrophysics · Physics 2007-05-23 Michael L. Norman

Motivated by the emergence of multicore architectures, and the reality that parallelism is rarely used for analysis in observational astronomy, we demonstrate how general users may employ tightly-coupled multiprocessors in scriptable…

Astrophysics · Physics 2007-10-23 Michael S. Noble

Since its inception in 1995, LAMMPS has grown to be a world-class molecular dynamics code, with thousands of users, over one million lines of code, and multi-scale simulation capabilities. We discuss how LAMMPS has adapted to the modern…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-09-25 Anders Johansson , Evan Weinberg , Christian R. Trott , Megan J. McCarthy , Stan G. Moore

$N$-body simulation serves as a critical method for modeling cosmic evolution and poses a significant challenge in high-performance computing. We present CUBE2, an open-source cosmological $N$-body code emphasizing memory efficiency,…

Instrumentation and Methods for Astrophysics · Physics 2026-03-05 Hao-Ran Yu , Bing-Hang Chen , Kun Xu , Ming-Jie Sheng , Jiaxin Han , Yipeng Jing , Huahua Cui

We present the open source Astrophysical Multi-purpose Software Environment (AMUSE, www.amusecode.org), a component library for performing astrophysical simulations involving different physical domains and scales. It couples existing codes…

Instrumentation and Methods for Astrophysics · Physics 2015-06-16 F. I. Pelupessy , A. van Elteren , N. de Vries , S. L. W. McMillan , N. Drost , S. F. Portegies Zwart

Task-based programming models have become very popular, as they offer an attractive solution to parallelize serial application code with task and data annotations. They usually depend on a runtime system that schedules the tasks to multiple…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-06-15 Spyros Lyberis , Polyvios Pratikakis , Iakovos Mavroidis , Dimitrios S. Nikolopoulos

The current trend of multicore architectures on shared memory systems underscores the need of parallelism. While there are some programming model to express parallelism, thread programming model has become a standard to support these system…

Distributed, Parallel, and Cluster Computing · Computer Science 2010-12-13 D. T. Hasta , A. B. Mutiara

Scalable and efficient numerical simulations continue to gain importance, as computation is firmly established as the third pillar of discovery, alongside theory and experiment. Meanwhile, the performance of computing hardware grows through…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-06-26 Pietro Incardona , Antonio Leo , Yaroslav Zaluzhnyi , Rajesh Ramaswamy , Ivo F. Sbalzarini

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

Scheduling in Asymmetric Multicore Processors (AMP), a special case of Heterogeneous Multiprocessors, is a widely studied topic. The scheduling techniques which are mostly runtime do not usually consider parallel programming pattern used in…

Performance · Computer Science 2018-08-21 Jyothi Krishna V S , Shankar Balachandran

OpenMP is a cross-platform API that extends C, C++ and Fortran and provides shared-memory parallelism platform for those languages. The use of many cores and HPC technologies for scientific computing has been spread since the 1990s, and now…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-07-25 Gal Oren , Yehuda Ganan , Guy Malamud

High performance computing has been used in various fields of astrophysical research. But most of it is implemented on massively parallel systems (supercomputers) or graphical processing unit clusters. With the advent of multicore…

Instrumentation and Methods for Astrophysics · Physics 2013-07-30 Navtej Singh , Lisa-Marie Browne , Ray Butler

Astrochemical simulations are a powerful tool for revealing chemical evolution in the interstellar medium. Astrochemical calculations require efficient processing of large matrices for the chemical networks. The large chemical reaction…

Instrumentation and Methods for Astrophysics · Physics 2023-12-11 Kazutaka Motoyama , Ruben Krasnopolsky , Hsien Shang , Kento Aida , Eisaku Sakane

The frequent elements problem, a key component in demanding stream-data analytics, involves selecting elements whose occurrence exceeds a user-specified threshold. Fast, memory-efficient $\epsilon$-approximate synopsis algorithms select all…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-09-04 Victor Jarlow , Charalampos Stylianopoulos , Marina Papatriantafilou