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High-speed chemically active flows present significant computational challenges due to their disparate space and time scales, where stiff chemistry often dominates simulation time. While modern supercomputing scientific codes achieve…

Direct numerical simulation (DNS) for gas-solid flow is implemented on a multi-scale supercomputing system, Mole-8.5, featuring massive parallel GPU-CPU hybrid computing, for which the lattice Boltzmann method (LBM) is deployed together…

We focus on implementing and optimizing a sixth-order finite-difference solver for simulating compressible fluids on a GPU using third-order Runge-Kutta integration. Since graphics processing units perform well in data-parallel tasks, this…

We present a scheme for the parallelization of quantum Monte Carlo on graphical processing units, focusing on bosonic systems and variational Monte Carlo. We use asynchronous execution schemes with shared memory persistence, and obtain an…

As emerging deep neural network (DNN) models continue to grow in size, using large GPU clusters to train DNNs is becoming an essential requirement to achieving acceptable training times. In this paper, we consider the case where future…

The modern trend in High-Performance Computing (HPC) involves the use of accelerators such as Graphics Processing Units (GPUs) alongside Central Processing Units (CPUs) to speed up numerical operations in various applications. Leading…

Molecular dynamics simulations are essential tools in computational biophysics, but their performance depend heavily on hardware choices and configuration. In this work, we presents a comprehensive performance analysis of four NVIDIA GPU…

With the recent proliferation of heterogeneous, GPU-accelerated supercomputers, high-order computational fluid dynamics (CFD) simulations of complex, turbulent flows are more accessible than ever. To leverage the computing power of these…

We present direct astrophysical N-body simulations with up to a few million bodies using our parallel MPI/CUDA code on large GPU clusters in China, Ukraine and Germany, with different kinds of GPU hardware. These clusters are directly…

Current climate change has posed a grand challenge in the field of numerical modeling due to its complex, multiscale dynamics. In hydrological modeling, the increasing demand for high-resolution, real-time simulations has led to the…

Open-source simulation tools play a crucial role for neuromorphic application engineers and hardware architects to investigate performance bottlenecks and explore design optimizations before committing to silicon. Reconfigurable…

We present a framework for effectively simulating the execution of quantum circuits originally designed to demonstrate quantum supremacy using accessible high-performance computing (HPC) infrastructure. Building on prior CPU-only…

Large-scale deep learning benefits from an emerging class of AI accelerators. Some of these accelerators' designs are general enough for compute-intensive applications beyond AI and Cloud TPU is one such example. In this paper, we…

Various kinds of applications take advantage of GPUs through automation tools that attempt to automatically exploit the available performance of the GPU's parallel architecture. Directive-based programming models, such as OpenACC, are one…

The recent trend of using Graphics Processing Units (GPU's) for high performance computations is driven by the high ratio of price performance for these units, complemented by their cost effectiveness. At first glance, computational fluid…

Scientists are increasingly exploring and utilizing the massive parallelism of general-purpose accelerators such as GPUs for scientific breakthroughs. As a result, datacenters, hyperscalers, national computing centers, and supercomputers…

In fluid dynamics, predicting and characterizing bifurcations, from the onset of unsteadiness to the transition to turbulence, is of critical importance for both academic and industrial applications. Different tools from dynamical systems…

This paper assesses and reports the experience of ten teams working to port,validate, and benchmark several High Performance Computing applications on a novel GPU-accelerated Arm testbed system. The testbed consists of eight NVIDIA Arm HPC…

The vision of super computer at every desk can be realized by powerful and highly parallel CPUs or GPUs or APUs. Graphics processors once specialized for the graphics applications only, are now used for the highly computational intensive…

Sequential models, such as Recurrent Neural Networks and Neural Ordinary Differential Equations, have long suffered from slow training due to their inherent sequential nature. For many years this bottleneck has persisted, as many thought…