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We scrutinize how to accelerate the bottleneck operations of Pythonic coupled cluster implementations performed on a \texttt{NVIDIA} Tesla V100S PCIe 32GB (rev 1a) Graphics Processing Unit (GPU). The \texttt{NVIDIA} Compute Unified Device…

Using a realistic molecular catalyst system, we conduct scaling studies of ab initio molecular dynamics simulations using the CP2K code on both Intel Xeon CPU and NVIDIA V100 GPU architectures. We explore using process placement and…

The exponential emergence of Field Programmable Gate Array (FPGA) has accelerated the research of hardware implementation of Deep Neural Network (DNN). Among all DNN processors, domain specific architectures, such as, Google's Tensor…

In 2019, the rapid rate at which GPU manufacturers refresh their designs, coupled with their reluctance to disclose microarchitectural details, is still a hurdle for those software designers who want to extract the highest possible…

We present recent updates and improvements of the graphical processing unit (GPU) N-body code GENGA. Modern state-of-the-art simulations of planet formation require the use of a very high number of particles to accurately resolve planetary…

This study presents a comprehensive multi-level analysis of the NVIDIA Hopper GPU architecture, focusing on its performance characteristics and novel features. We benchmark Hopper's memory subsystem, highlighting improvements in the L2…

In this paper, we describe the performance of an $N$-body simulation of star cluster with 64k stars on a Cray XD1 system with 400 dual-core Opteron processors. A number of astrophysical $N$-body simulations were reported in SCxy…

This paper is focused on improving multi-GPU performance of a research CFD code on structured grids. MPI and OpenACC directives are used to scale the code up to 16 GPUs. This paper shows that using 16 P100 GPUs and 16 V100 GPUs can be…

We present the results of gravitational direct $N$-body simulations using the commercial graphics processing units (GPU) NVIDIA Quadro FX1400 and GeForce 8800GTX, and compare the results with GRAPE-6Af special purpose hardware. The force…

Finite element simulations play a critical role in a wide range of applications, from automotive design to tsunami modeling and computational electromagnetics. Performing these simulations efficiently at the high resolutions needed for…

In this paper we describe and demonstrate a C++ code written to determine the trajectory of particles traversing oriented single crystals and a CUDA code written to evaluate the radiation spectra from charged particles with arbitrary…

High-performance GPU-accelerated particle filter methods are critical for object detection applications, ranging from autonomous driving, robot localization, to time-series prediction. In this work, we investigate the design, development…

In this paper, we describe the implementation and performance of GreeM, a massively parallel TreePM code for large-scale cosmological N-body simulations. GreeM uses a recursive multi-section algorithm for domain decomposition. The size of…

Astrophysical direct $N$-body methods have been one of the first production algorithms to be implemented using NVIDIA's CUDA architecture. Now, almost seven years later, the GPU is the most used accelerator device in astronomy for…

Every year, novel NVIDIA GPU designs are introduced. This rapid architectural and technological progression, coupled with a reluctance by manufacturers to disclose low-level details, makes it difficult for even the most proficient GPU…

GPUs are a key enabler of the revolution in machine learning and high performance computing, functioning as de facto co-processors to accelerate large-scale computation. As the programming stack and tool support have matured, GPUs have also…

We describe the implementation and performance of the ${\rm P^3T}$ (Particle-Particle Particle-Tree) scheme for simulating dense stellar systems. In ${\rm P^3T}$, the force experienced by a particle is split into short-range and long-range…

The runtime of a Lattice QCD simulation is dominated by a small kernel, which calculates the product of a vector by a sparse matrix known as the "Dslash" operator. Therefore, this kernel is frequently optimized for various HPC…

The numerical integration of stochastic trajectories to estimate the time to pass a threshold is an interesting physical quantity, for instance in Josephson junctions and atomic force microscopy, where the full trajectory is not accessible.…

We present a scalable dissipative particle dynamics simulation code, fully implemented on the Graphics Processing Units (GPUs) using a hybrid CUDA/MPI programming model, which achieves 10-30 times speedup on a single GPU over 16 CPU cores…