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One of application that needs high performance computing resources is molecular d ynamic. There is some software available that perform molecular dynamic, one of these is a well known GROMACS. Our previous experiment simulating molecular…

Distributed, Parallel, and Cluster Computing · Computer Science 2012-10-17 Heru Suhartanto , Arry Yanuar , Ari Wibisono

Pipeline parallelism (PP) when training neural networks enables larger models to be partitioned spatially, leading to both lower network communication and overall higher hardware utilization. Unfortunately, to preserve the statistical…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-02-11 Bowen Yang , Jian Zhang , Jonathan Li , Christopher Ré , Christopher R. Aberger , Christopher De Sa

N-body simulations are essential tools in physical cosmology to understand the large-scale structure (LSS) formation of the Universe. Large-scale simulations with high resolution are important for exploring the substructure of universe and…

Computational Physics · Physics 2020-10-22 Shenggan Cheng , Hao-Ran Yu , Derek Inman , Qiucheng Liao , Qiaoya Wu , James Lin

With the increasing scale of models, the need for efficient distributed training has become increasingly urgent. Recently, many synchronous pipeline parallelism approaches have been proposed to improve training throughput. However, these…

Machine Learning · Computer Science 2024-10-28 Houming Wu , Ling Chen , Wenjie Yu

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

Current AI code generation systems suffer from significant latency bottlenecks due to CPU-GPU data transfers during compilation, execution, and testing phases. We establish theoretical foundations for three complementary approaches to…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-12-15 Adilet Metinov , Gulida M. Kudakeeva , Gulnara D. Kabaeva

We accelerated an {\it ab-initio} QMC electronic structure calculation by using GPGPU. The bottleneck of the calculation for extended solid systems is replaced by CUDA-GPGPU subroutine kernels which build up spline basis set expansions of…

Computational Physics · Physics 2012-08-20 Yutaka Uejima , Ryo Maezono

New hardware can substantially increase the speed and efficiency of deep neural network training. To guide the development of future hardware architectures, it is pertinent to explore the hardware and machine learning properties of…

Machine Learning · Computer Science 2021-04-13 Atli Kosson , Vitaliy Chiley , Abhinav Venigalla , Joel Hestness , Urs Köster

Radio transient discovery using next generation radio telescopes will pose several digital signal processing and data transfer challenges, requiring specialized high-performance backends. Several accelerator technologies are being…

Instrumentation and Methods for Astrophysics · Physics 2013-07-23 Alessio Magro , Jack Hickish , Kristian Zarb Adami

GPUs are the most popular platform for accelerating HPC workloads, such as artificial intelligence and science simulations. However, most microarchitectural research in academia relies on GPU core pipeline designs based on architectures…

Hardware Architecture · Computer Science 2025-10-30 Rodrigo Huerta , Mojtaba Abaie Shoushtary , José-Lorenzo Cruz , Antonio González

We use a graphics processing unit (GPU) for fast computations of Monte Carlo integrations. Two widely used Monte Carlo integration programs, VEGAS and BASES, are parallelized on GPU. By using $W^{+}$ plus multi-gluon production processes at…

Computational Physics · Physics 2011-03-03 J. Kanzaki

The Cellular Potts Model (CPM) is a widely used simulation paradigm for systems of interacting cells that has been used to study scenarios ranging from plant development to morphogenesis, tumour growth and cell migration. Despite their wide…

Tissues and Organs · Quantitative Biology 2023-12-18 Shabaz Sultan , Sapna Devi , Scott N. Mueller , Johannes Textor

This work presents a new clustering algorithm, the GPIC, a Graphics Processing Unit (GPU) accelerated algorithm for Power Iteration Clustering (PIC). Our algorithm is based on the original PIC proposal, adapted to take advantage of the GPU…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-04-12 Gustavo R. L Silva , Rafael R. Medeiros , Antonio P. Braga , Douglas A. G. Vieira

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

We report on the performance of our cold-dark matter cosmological N-body simulation which was carried out concurrently using supercomputers across the globe. We ran simulations on 60 to 750 cores distributed over a variety of supercomputers…

Distributed, Parallel, and Cluster Computing · Computer Science 2011-01-25 Derek Groen , Simon Portegies Zwart , Tomoaki Ishiyama , Junichiro Makino

We present the APE (Array Processor Experiment) project for the development of dedicated parallel computers for numerical simulations in lattice gauge theories. While APEmille is a production machine in today's physics simulations at…

Pipeline Parallelism (PP) serves as a crucial technique for training Large Language Models (LLMs), owing to its capability to alleviate memory pressure from model states with relatively low communication overhead. However, in long-context…

Machine Learning · Computer Science 2025-04-22 Zhouyang Li , Yuliang Liu , Wei Zhang , Tailing Yuan , Bin Chen , Chengru Song , Di Zhang

We present a novel parallel algorithm for cloth simulation that exploits multiple GPUs for fast computation and the handling of very high resolution meshes. To accelerate implicit integration, we describe new parallel algorithms for sparse…

Graphics · Computer Science 2020-08-05 Cheng Li , Min Tang , Ruofeng Tong , Ming Cai , Jieyi Zhao , Dinesh Manocha

A micromagnetic simulator running on graphics processing unit (GPU) is presented. It achieves significant performance boost as compared to previous central processing unit (CPU) simulators, up to two orders of magnitude for large input…

Computational Engineering, Finance, and Science · Computer Science 2014-11-11 Ru Zhu

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