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We discuss the computational bottlenecks in molecular dynamics (MD) and describe the challenges in parallelizing the computation intensive tasks. We present a hybrid algorithm using MPI (Message Passing Interface) with OpenMP threads for…

Computational Physics · Physics 2015-07-28 Anirban Pal , Abhishek Agarwala , Soumyendu Raha , Baidurya Bhattacharya

With the growing prevalence of heterogeneous computing, CPUs are increasingly being paired with accelerators to achieve new levels of performance and energy efficiency. However, data movement between devices remains a significant…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-01-21 Luke Marzen , Junhyung Shim , Ali Jannesari

Matrix-matrix multiplication is a basic operation in linear algebra and an essential building block for a wide range of algorithms in various scientific fields. Theory and implementation for the dense, square matrix case are well-developed.…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-06-01 Alfio Lazzaro , Joost VandeVondele , Juerg Hutter , Ole Schuett

Transformer models have emerged as potent solutions to a wide array of multidisciplinary challenges. The deployment of Transformer architectures is significantly hindered by their extensive computational and memory requirements,…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-07-03 Zhengxian Lu , Fangyu Wang , Zhiwei Xu , Fei Yang , Tao Li

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

The large variety of production implementations of the message passing interface (MPI) each provide unique and varying underlying algorithms. Each emerging supercomputer supports one or a small number of system MPI installations, tuned for…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-09-15 Amanda Bienz , Derek Schafer , Anthony Skjellum

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

We study general techniques for implementing distributed data structures on top of future many-core architectures with non cache-coherent or partially cache-coherent memory. With the goal of contributing towards what might become, in the…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-04-09 Panagiota Fatourou , Nikolaos D. Kallimanis , Eleni Kanellou , Odysseas Makridakis , Christi Symeonidou

HPC systems keep growing in size to meet the ever-increasing demand for performance and computational resources. Apart from increased performance, large scale systems face two challenges that hinder further growth: energy efficiency and…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-01-06 Ioannis Vardas , Manolis Ploumidis , Manolis Marazakis

We investigate an existing distributed algorithm for learning sparse signals or data over networks. The algorithm is iterative and exchanges intermediate estimates of a sparse signal over a network. This learning strategy using exchange of…

Machine Learning · Statistics 2017-09-25 Ahmed Zaki , Partha P. Mitra , Lars K. Rasmussen , Saikat Chatterjee

Running parallel applications requires special and expensive processing resources to obtain the required results within a reasonable time. Before parallelizing serial applications, some analysis is recommended to be carried out to decide…

Software Engineering · Computer Science 2011-03-30 Alaa Ismail Elnashar

Data parallelism has emerged as a necessary technique to accelerate the training of deep neural networks (DNN). In a typical data parallelism approach, the local workers push the latest updates of all the parameters to the parameter server…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-09-28 Shizhao Sun , Wei Chen , Jiang Bian , Xiaoguang Liu , Tie-Yan Liu

Applications with low data reuse and frequent irregular memory accesses, such as graph or sparse linear algebra workloads, fail to scale well due to memory bottlenecks and poor core utilization. While prior work with prefetching,…

Hardware Architecture · Computer Science 2023-05-05 Marcelo Orenes-Vera , Esin Tureci , David Wentzlaff , Margaret Martonosi

The use of hybrid scheme combining the message passing programming models for inter-node parallelism and the shared memory programming models for node-level parallelism is widely spread. Existing extensive practices on hybrid Message…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-07-23 Huan Zhou , Jose Gracia , Naweiluo Zhou , Ralf Schneider

Today's computing systems require moving data back-and-forth between computing resources (e.g., CPUs, GPUs, accelerators) and off-chip main memory so that computation can take place on the data. Unfortunately, this data movement is a major…

Hardware Architecture · Computer Science 2022-05-31 Geraldo F. Oliveira , Amirali Boroumand , Saugata Ghose , Juan Gómez-Luna , Onur Mutlu

This paper pushes further the intrinsic capabilities of the GFEM$^{gl}$ global-local approach introduced initially in [1]. We develop a distributed computing approach using MPI (Message Passing Interface) both for the global and local…

Numerical Analysis · Mathematics 2023-02-22 Alexis Salzman , Nicolas Moës

This paper provides some new approaches to MPI implementations to improve MPI performance. These approaches include dynamically composable libraries, reducing average layer numbers of MPI libraries, and a single entity of MPI-network,…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-05-31 Yuqing Xiong

To keep up with increasing dataset sizes and model complexity, distributed training has become a necessity for large machine learning tasks. Parameter servers ease the implementation of distributed parameter management---a key concern in…

Machine Learning · Computer Science 2020-07-06 Alexander Renz-Wieland , Rainer Gemulla , Steffen Zeuch , Volker Markl

Hybrid MPI+threads programming is gaining prominence as an alternative to the traditional "MPI everywhere'" model to better handle the disproportionate increase in the number of cores compared with other on-node resources. Current…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-02-10 Rohit Zambre , Aparna Chandramowlishwaran , Pavan Balaji

Frontier models increasingly adopt Mixture-of-Experts (MoE) architectures to achieve large-model performance at reduced cost. However, training MoE models on HPC platforms is hindered by large memory footprints, frequent large-scale…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-05-07 Sajal Dash , Feiyi Wang