Related papers: Performance metrics in a hybrid MPI-OpenMP based m…
Natural human interactions for Mixed Reality Applications are overwhelmingly multimodal: humans communicate intent and instructions via a combination of visual, aural and gestural cues. However, supporting low-latency and accurate…
We investigate a parallelization strategy for dense matrix factorization (DMF) algorithms, using OpenMP, that departs from the legacy (or conventional) solution, which simply extracts concurrency from a multithreaded version of BLAS. This…
MPI collective operations provide a standardized interface for performing data movements within a group of processes. The efficiency of collective communication operations depends on the actual algorithm, its implementation, and the…
The Message Passing Interface (MPI) is the prevalent programming model used on today's supercomputers. Therefore, MPI library developers are looking for the best possible performance (shortest run-time) of individual MPI functions across…
The increasing complexity of HPC architectures and the growing adoption of irregular scientific algorithms demand efficient support for asynchronous, multithreaded communication. This need is especially pronounced with Asynchronous…
We compare a newly developed hybrid simulation method which combines classical molecular dynamics (MD) and computational fluid dynamics (CFD) to a simulation consisting only of molecular dynamics. The hybrid code is composed of three…
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…
We study parallel particle-in-cell (PIC) methods for low-temperature plasmas (LTPs), which discretize kinetic formulations that capture the time evolution of the probability density function of particles as a function of position and…
We present a simple library which equips MPI implementations with truly asynchronous non-blocking point-to-point operations, and which is independent of the underlying communication infrastructure. It utilizes the MPI profiling interface…
As core counts and heterogeneity rise in HPC, traditional hybrid programming models face challenges in managing distributed GPU memory and ensuring portability. This paper presents DiOMP, a distributed OpenMP framework that unifies OpenMP…
Bootstrapping is a powerful statistical resampling technique for estimating the sampling distribution of an estimator. However, its computational cost becomes prohibitive for large datasets or a high number of resamples. This paper presents…
Machine learning potentials (MLPs) trained on data from quantum-mechanics based first-principles methods can approach the accuracy of the reference method at a fraction of the computational cost. To facilitate efficient MLP-based molecular…
MPI+threads is gaining prominence as an alternative to the traditional MPI everywhere model in order to better handle the disproportionate increase in the number of cores compared with other on-node resources. However, the communication…
Neural network-based molecular dynamics (NNMD) simulations incorporating long-range electrostatic interactions have significantly extended the applicability to heterogeneous and ionic systems, enabling effective modeling critical physical…
We propose a new hybrid topology optimization algorithm based on multigrid approach that combines the parallelization strategy of CPU using OpenMP and heavily multithreading capabilities of modern Graphics Processing Units (GPU). In…
The main objective of this work consists in analyzing sub-structuring method for the parallel solution of sparse linear systems with matrices arising from the discretization of partial differential equations such as finite element, finite…
The Kernel Polynomial Method (KPM) is one of the fast diagonalization methods used for simulations of quantum systems in research fields of condensed matter physics and chemistry. The algorithm has a difficulty to be parallelized on a…
These lecture notes are designed to accompany an imaginary, virtual, undergraduate, one or two semester course on fundamentals of Parallel Computing as well as to serve as background and reference for graduate courses on High-Performance…
On many parallel machines, the time LQCD applications spent in communication is a significant contribution to the total wall-clock time, especially in the strong-scaling limit. We present a novel high-performance communication library that…
Calculating interactions or correlations between pairs of particles is typically the most time-consuming task in particle simulation or correlation analysis. Straightforward implementations using a double loop over particle pairs have…