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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

Exploiting the full computational power of always deeper hierarchical multiprocessor machines requires a very careful distribution of threads and data among the underlying non-uniform architecture. The emergence of multi-core chips and NUMA…

Programming Languages · Computer Science 2007-06-15 Samuel Thibault , François Broquedis , Brice Goglin , Raymond Namyst , Pierre-André Wacrenier

OpenMP parallelization of multiple precision Taylor series method is proposed. A very good parallel performance scalability and parallel efficiency inside one computation node of a CPU-cluster is observed. We explain the details of the…

Mathematical Software · Computer Science 2019-08-27 S. Dimova , I. Hristov , R. Hristova , I. Puzynin , T. Puzynina , Z. Sharipov , N. Shegunov , Z. Tukhliev

The simplex algorithm has been successfully used for many years in solving linear programming (LP) problems. Due to the intensive computations required (especially for the solution of large LP problems), parallel approaches have also…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-11-22 Basilis Mamalis , Marios Perlitis

Analytic, first-principles performance modeling of distributed-memory parallel codes is notoriously imprecise. Even for applications with extremely regular and homogeneous compute-communicate phases, simply adding communication time to…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-06-25 Ayesha Afzal , Georg Hager , Gerhard Wellein

The performance of irregular phased array architectures is assessed in the context of multi-user multiple-input multiple-output (MU-MIMO) communications operating beyond 100 GHz. Realizing half-wavelength spaced planar phased arrays is…

Signal Processing · Electrical Eng. & Systems 2025-09-30 Yigit Ertugrul , Kamil Yavuz Kapusuz , Claude Desset , Sofie Pollin

Given an array $\mathcal{A}$ of $n$ elements and a value $2 \leq k \leq n$, a frequent item or $k$-majority element is an element occurring in $\mathcal{A}$ more than $n/k$ times. The $k$-majority problem requires finding all of the…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-01-12 Massimo Cafaro , Marco Pulimeno , Italo Epicoco , Giovanni Aloisio

Task parallelism as employed by the OpenMP task construct or some Intel Threading Building Blocks (TBB) components, although ideal for tackling irregular problems or typical producer/consumer schemes, bears some potential for performance…

Distributed, Parallel, and Cluster Computing · Computer Science 2011-01-04 Markus Wittmann , Georg Hager

This paper addresses the monitoring of logic-independent linear-time user-provided properties in multi-threaded component-based systems. We consider intrinsically independent components that can be executed concurrently with a centralized…

Software Engineering · Computer Science 2017-01-24 Hosein Nazarpour , Yliès Falcone , Saddek Bensalem , Marius Bozga

This thesis introduces PEMS2, an improvement to PEMS (Parallel External Memory System). PEMS executes Bulk-Synchronous Parallel (BSP) algorithms in an External Memory (EM) context, enabling computation with very large data sets which exceed…

Distributed, Parallel, and Cluster Computing · Computer Science 2010-01-20 David E. Robillard

The Breadth First Search (BFS) algorithm is the foundation and building block of many higher graph-based operations such as spanning trees, shortest paths and betweenness centrality. The importance of this algorithm increases each day due…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-04-04 Julian Romera

Bulk synchronous parallel (BSP) is the de-facto paradigm for distributed DNN training in today's production clusters. However, due to the global synchronization nature, its performance can be significantly influenced by network bottlenecks…

Machine Learning · Computer Science 2022-01-14 Weiyan Wang , Cengguang Zhang , Liu Yang , Kai Chen , Kun Tan

Modern OpenMP threading techniques are used to convert the MPI-only Hartree-Fock code in the GAMESS program to a hybrid MPI/OpenMP algorithm. Two separate implementations that differ by the sharing or replication of key data structures…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-08-15 Vladimir Mironov , Yuri Alexeev , Kristopher Keipert , Michael D'mello , Alexander Moskovsky , Mark S. Gordon

Coordinated multi-point (CoMP) transmission is an effective means of improving network throughput in heterogeneous cellular networks (HetNets). However, its performance is seriously weakened if imperfect coordination happens between base…

Information Theory · Computer Science 2014-12-16 Chun-Hung Liu

Speculative backpropagation has emerged as a promising technique to accelerate the training of neural networks by overlapping the forward and backward passes. Leveraging speculative weight updates when error gradients fall within a specific…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-11-18 Sed Centeno , Christopher Sprague , Arnab A Purkayastha , Ray Simar , Neeraj Magotra

The single-source shortest path (SSSP) problem is a well-studied problem that is used in many applications. In the parallel setting, a work-efficient algorithm that additionally attains $o(n)$ parallel depth has been elusive. Alternatively,…

Data Structures and Algorithms · Computer Science 2023-05-15 Kyle Berney , John Iacono , Ben Karsin , Nodari Sitchinava

Generative models have achieved remarkable success across various applications, driving the demand for multi-GPU computing. Inter-GPU communication becomes a bottleneck in multi-GPU computing systems, particularly on consumer-grade GPUs. By…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-10-10 Ke Hong , Xiuhong Li , Minxu Liu , Qiuli Mao , Tianqi Wu , Zixiao Huang , Lufang Chen , Zhong Wang , Yichong Zhang , Zhenhua Zhu , Guohao Dai , Yu Wang

Existing methods for bulk loading disk-based multidimensional points involve multiple applications of external sorting. In this paper, we propose techniques that apply linear scan, and are therefore significantly faster. The resulting FMBI…

Databases · Computer Science 2024-09-17 Moin Hussain Moti , Dimitris Papadias

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

Linear data-detection algorithms that build on zero forcing (ZF) or linear minimum mean-square error (L-MMSE) equalization achieve near-optimal spectral efficiency in massive multi-user multiple-input multiple-output (MU-MIMO) systems. Such…

Information Theory · Computer Science 2019-09-04 Charles Jeon , Kaipeng Li , Joseph R. Cavallaro , Christoph Studer