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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

Exascale systems, expected to emerge by the end of the next decade, will require the exploitation of billion-way parallelism at multiple hierarchical levels in order to achieve the desired sustained performance. The task of assessing future…

Distributed, Parallel, and Cluster Computing · Computer Science 2011-09-27 Matthew Anderson , Maciej Brodowicz , Hartmut Kaiser , Thomas Sterling

This work presents experience with traditional use cases of checkpointing on a novel platform. A single codebase (MANA) transparently checkpoints production workloads for major available MPI implementations: "develop once, run everywhere".…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-09-27 Yao Xu , Leonid Belyaev , Twinkle Jain , Derek Schafer , Anthony Skjellum , Gene Cooperman

This paper presents a comprehensive comparison of three dominant parallel programming models in High Performance Computing (HPC): Message Passing Interface (MPI), Open Multi-Processing (OpenMP), and Compute Unified Device Architecture…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-06-19 Nizar ALHafez , Ahmad Kurdi

MatlabMPI is a Matlab implementation of the Message Passing Interface (MPI) standard and allows any Matlab program to exploit multiple processors. MatlabMPI currently implements the basic six functions that are the core of the MPI…

Astrophysics · Physics 2007-05-23 Jeremy Kepner

This system paper documents the technical foundations for the extension of the Topology ToolKit (TTK) to distributed-memory parallelism with the Message Passing Interface (MPI). While several recent papers introduced topology-based…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-04-16 Eve Le Guillou , Michael Will , Pierre Guillou , Jonas Lukasczyk , Pierre Fortin , Christoph Garth , Julien Tierny

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

Dynamic scaling aims to elastically change the number of processes during runtime to tune the performance of the distributed applications. This report briefly presents a performance evaluation of MPI process provisioning / de-provisioning…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-01-01 Masatoshi Hanai , Georgios Theodoropoulos

The relaxed semantics and rich functionality of one-sided communication primitives of MPI-3 makes MPI an attractive candidate for the implementation of PGAS models. However, the performance of such implementation suffers from the fact, that…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-03-08 Huan Zhou , Kamran Idrees , José Gracia

With the increase in compute nodes in large compute platforms, a proportional increase in node failures will follow. Many application-based checkpoint/restart (C/R) techniques have been proposed for MPI applications to target the reduced…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-05-30 Kiril Dichev , Herbert Jordan , Konstantinos Tovletoglou , Thomas Heller , Dimitrios S. Nikolopoulos , Georgios Karakonstantis , Charles Gillan

Message Passing Interface (MPI) is widely used to implement parallel programs. Although Windowsbased architectures provide the facilities of parallel execution and multi-threading, little attention has been focused on using MPI on these…

Distributed, Parallel, and Cluster Computing · Computer Science 2011-05-31 Alaa Ismail Elnashar

LLVM is an infrastructure for code generation and low-level optimizations, which has been gaining popularity as a backend for both research and industrial compilers, including many compilers for functional languages. While LLVM provides a…

Programming Languages · Computer Science 2019-01-01 Kavon Farvardin , John Reppy

MP net is a formal model specifically designed for the field of parallel applications that use a message passing interface. The main idea is to use MP net as a comprehensible way of presenting the actual structure of communication within…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-04-01 Martin Šurkovský

We present a modern C++20 interface for MPI 4.0. The interface utilizes recent language features to ease development of MPI applications. An aggregate reflection system enables generation of MPI data types from user-defined classes…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-06-22 Ali Can Demiralp , Philipp Martin , Niko Sakic , Marcel Krüger , Tim Gerrits

Scale-out parallel processing based on MPI is a 25-year-old standard with at least another decade of preceding history of enabling technologies in the High Performance Computing community. Newer frameworks such as MapReduce, Hadoop, and…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-07-18 Brandon L. Morris , Anthony Skjellum

Upcoming HPC clusters will feature hybrid memories and storage devices per compute node. In this work, we propose to use the MPI one-sided communication model and MPI windows as unique interface for programming memory and storage. We…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-10-10 Sergio Rivas-Gomez , Roberto Gioiosa , Ivy Bo Peng , Gokcen Kestor , Sai Narasimhamurthy , Erwin Laure , Stefano Markidis

Python has become a dominant programming language for emerging areas like Machine Learning (ML), Deep Learning (DL), and Data Science (DS). An attractive feature of Python is that it provides easy-to-use programming interface while allowing…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-08-26 Nawras Alnaasan , Arpan Jain , Aamir Shafi , Hari Subramoni , Dhabaleswar K Panda

MPI+X has been the de facto standard for distributed memory parallel programming. It is widely used primarily as an explicit two-sided communication model, which often leads to complex and error-prone code. Alternatively, PGAS model…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-09-05 Baodi Shan , Mauricio Araya-Polo , Barbara Chapman

MPI implementations commonly rely on explicit memory-copy operations, incurring overhead from redundant data movement and buffer management. This overhead notably impacts HPC workloads involving intensive inter-processor communication. In…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-10-17 Miryeong Kwon , Donghyun Gouk , Hyein Woo , Junhee Kim , Jinwoo Baek , Kyungkuk Nam , Sangyoon Ji , Jiseon Kim , Hanyeoreum Bae , Junhyeok Jang , Hyunwoo You , Junseok Moon , Myoungsoo Jung

Application development for distributed computing "Grids" can benefit from tools that variously hide or enable application-level management of critical aspects of the heterogeneous environment. As part of an investigation of these issues,…

Distributed, Parallel, and Cluster Computing · Computer Science 2007-05-23 N. T. Karonis , B. Toonen , I. Foster