Related papers: Performance metrics in a hybrid MPI-OpenMP based m…

In this paper we describe, implement, and test the performance of distributed memory simulations of quantum circuits on the MSU Laconia Top500 supercomputer. Using OpenMP and MPI hybrid parallelization, we first use a distributed…

In this paper, a comprehensive performance review of a MPI-based high-order spectral and mortar element method C++ toolbox is presented. The focus is put on the performance evaluation of several aspects with a particular emphasis on the…

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…

Processing-in-Memory (PIM) architectures offer promising solutions for efficiently handling AI applications in energy-constrained edge environments. While traditional PIM designs enhance performance and energy efficiency by reducing data…

This paper studies the utility of using data analytics and machine learning techniques for identifying, classifying, and characterizing the dynamics of large-scale parallel (MPI) programs. To this end, we run microbenchmarks and realistic…

Solving a large-scale regularized linear inverse problem using multiple processors is important in various real-world applications due to the limitations of individual processors and constraints on data sharing policies. This paper focuses…

In this work, we have developed a multiscale computational algorithm to couple finite element method with an open source molecular dynamics code --- the Large scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) --- to perform…

We present a simple and easy to apply methodology for using high-level self-submitting parallel job queues in an MPI environment. Using C++, we implemented a library of functions, MPQueue, both for testing our concepts and for use in real…

GROMACS is a de-facto standard for classical Molecular Dynamics (MD). The rise of AI-driven interatomic potentials that pursue near-quantum accuracy at MD throughput now poses a significant challenge: embedding neural-network inference into…

Today's fast linear algebra and numerical optimization tools have pushed the frontier of model predictive control (MPC) forward, to the efficient control of highly nonlinear and hybrid systems. The field of hybrid MPC has demonstrated that…

Message Passing Interface (MPI) plays a crucial role in distributed memory parallelization across multiple nodes. However, parallelizing MPI code manually, and specifically, performing domain decomposition, is a challenging, error-prone…

Writing efficient hybrid parallel code is tedious, error-prone, and requires good knowledge of both parallel programming and multithreading such as MPI and OpenMP, resp. Therefore, we present a framework which is based on a job model that…

In this paper, we consider a hybrid scheme of coordinated multi-point (CoMP) technology in MISO heterogeneous communication networks based on power domain non-orthogonal multiple access (PD-NOMA). We propose a novel method based on matching…

We discuss practical methods to ensure near wirespeed performance from clusters with either one or two Intel(R) Omni-Path host fabric interfaces (HFI) per node, and Intel(R) Xeon Phi(TM) 72xx (Knight's Landing) processors, and using the…

This paper investigates the use of OpenMP for parallel post processing in obejct detection on personal Android devices, where resources like computational power, memory, and battery are limited. Specifically, it explores various…

The Message Passing Interface (MPI) is the most commonly used application programming interface for process communication on current large-scale parallel systems. Due to the scale and complexity of modern parallel architectures, it is…

In drug discovery, molecular docking is the task in charge of estimating the position of a molecule when interacting with the docking site. This task is usually used to perform screening of a large library of molecules, in the early phase…

This paper aims to create a transition path from file-based IO to streaming-based workflows for scientific applications in an HPC environment. By using the openPMP-api, traditional workflows limited by filesystem bottlenecks can be overcome…

This study employed an artificial intelligence-enhanced molecular simulation framework to enable efficient Path Integral Molecular Dynamics (PIMD) simulations. Owing to its modular architecture and high-throughput capabilities, the…

Modeling high-order feature interactions efficiently is a central challenge in click-through rate and conversion rate prediction. Modern industrial recommender systems are predominantly built upon deep learning recommendation models, where…