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We provide a mathematically proven parallelization scheme for particle methods on distributed-memory computer systems. Particle methods are a versatile and widely used class of algorithms for computer simulations and numerical predictions…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-01-05 Johannes Pahlke , Ivo F. Sbalzarini

We present the basic idea, implementation, measured performance and performance model of FDPS (Framework for developing particle simulators). FDPS is an application-development framework which helps the researchers to develop particle-based…

Instrumentation and Methods for Astrophysics · Physics 2016-06-15 Masaki Iwasawa , Ataru Tanikawa , Natsuki Hosono , Keigo Nitadori , Takayuki Muranushi , Junichiro Makino

A large number of powerful, high-quality, and open-source simulation packages exist to efficiently perform molecular dynamics simulations, and their prevalence has greatly accelerated discoveries across a wide range of scientific domains.…

Soft Condensed Matter · Physics 2024-05-01 Toler H. Webb , Daniel M. Sussman

Simulations with high accuracy are an essential part of scientific research to accelerate the innovation process. They are especially useful for finding novel approaches or optimizing existing methods. Today, powerful software tools are…

Medical Physics · Physics 2022-08-31 Patrick Vogel , Martin A. Rückert , Thomas Kampf , Volker C. Behr

In resent years, the software ecosystem for numerical simulation still remains fragmented, with different algorithms and discretization methods often implemented in isolation, each with distinct data structures and programming conventions.…

Numerical Analysis · Mathematics 2026-03-10 Yangyang Zheng , Huayi Wei , Yunqing Huang , Chunyu Chen , Tian Tian , Hanbin Liu , Wenbin Wang , Liang He

Systems composed of soft matter (e.g., liquids, polymers, foams, gels, colloids, and most biological materials) are ubiquitous in science and engineering, but molecular simulations of such systems pose particular computational challenges,…

Recent proliferation of embedded systems has generated a bold new paradigm, known as open embedded systems. While traditional embedded systems provide only closed base applications (natively-installed software) to users, open embedded…

Distributed, Parallel, and Cluster Computing · Computer Science 2010-06-30 Hiroaki Inoue

The parallel and distributed processing are becoming de facto industry standard, and a large part of the current research is targeted on how to make computing scalable and distributed, dynamically, without allocating the resources on…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-04-10 Rajendra Purohit , K R Chowdhary , S D Purohit

The ability to express a program as a hierarchical composition of parts is an essential tool in managing the complexity of software and a key abstraction this provides is to separate the representation of data from the computation. Many…

Programming Languages · Computer Science 2012-10-04 James Hanlon , Simon J. Hollis , David May

Important computational physics problems are often large-scale in nature, and it is highly desirable to have robust and high performing computational frameworks that can quickly address these problems. However, it is no trivial task to…

Mathematical Software · Computer Science 2017-09-18 J. Chang , K. B. Nakshatrala , M. G. Knepley , L. Johnsson

Today, there is a trend to incorporate more intelligence (e.g., vision capabilities) into a wide range of devices, which makes high performance a necessity for computing systems. Furthermore, for embedded systems, low power consumption…

Other Computer Science · Computer Science 2014-08-25 Zhilei Chai , Zhibin Wang , Wenmin Yang , Shuai Ding , Yuanpu Zhang

PyMembrane is a software package for simulating liquid and elastic membranes using a discretisation of the continuum description based on unstructured triangulated two-dimensional meshes embedded in three-dimensional space. The package is…

Soft Condensed Matter · Physics 2023-08-25 D. A. Matoz-Fernandez , Siyu Li , Monica Olvera de la Cruz , Rastko Sknepnek

We introduce a general-purpose framework for interconnecting scientific simulation programs using a homogeneous, unified interface. Our framework is intrinsically parallel, and conveniently separates all component numerical modules in…

Instrumentation and Methods for Astrophysics · Physics 2015-06-04 Simon Portegies Zwart , Steve McMillan , Arjen van Elteren , Inti Pelupessy , Nathan de Vries

This work introduces an innovative parallel, fully-distributed finite element framework for growing geometries and its application to metal additive manufacturing. It is well-known that virtual part design and qualification in additive…

Computational Engineering, Finance, and Science · Computer Science 2019-04-30 Eric Neiva , Santiago Badia , Alberto F. Martín , Michele Chiumenti

Particle-in-cell methods couple mesh-based methods for the solution of continuum mechanics problems, with the ability to advect and evolve particles. They have a long history and many applications in scientific computing. However, they have…

Numerical Analysis · Mathematics 2019-09-12 R. Gassmoeller , E. Heien , E. G. Puckett , W. Bangerth

The trend towards highly parallel multi-processing is ubiquitous in all modern computer architectures, ranging from handheld devices to large-scale HPC systems; yet many applications are struggling to fully utilise the multiple levels of…

Distributed, Parallel, and Cluster Computing · Computer Science 2013-07-19 Michael Lange , Gerard Gorman , Michele Weiland , Lawrence Mitchell , Xiaohu Guo , James Southern

Particle tracking in large-scale numerical simulations of turbulent flows presents one of the major bottlenecks in parallel performance and scaling efficiency. Here, we describe a particle tracking algorithm for large-scale parallel…

Fluid Dynamics · Physics 2022-05-31 Cristian C. Lalescu , Bérenger Bramas , Markus Rampp , Michael Wilczek

Traditional heterogeneous parallel algorithms, designed for heterogeneous clusters of workstations, are based on the assumption that the absolute speed of the processors does not depend on the size of the computational task. This assumption…

Distributed, Parallel, and Cluster Computing · Computer Science 2011-09-15 Alexey Lastovetsky , Ravi Reddy , Vladimir Rychkov , David Clarke

Heterogeneous computing is one of the most important computational solutions to meet rapidly increasing demands on system performance. It typically allows the main flow of applications to be executed on a CPU while the most computationally…

Software Engineering · Computer Science 2020-12-11 Hugo Andrade , Ola Benderius , Christian Berger , Ivica Crnkovic , Jan Bosch

A hybrid scheme that utilizes MPI for distributed memory parallelism and OpenMP for shared memory parallelism is presented. The work is motivated by the desire to achieve exceptionally high Reynolds numbers in pseudospectral computations of…

Computational Physics · Physics 2010-03-24 Pablo D. Mininni , Duane L. Rosenberg , Raghu Reddy , Annick Pouquet
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