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The Kokkos based library Cabana, which has been developed in the Co-design Center for Particle Applications (CoPA), is used for the implementation of Multi-Particle Collision Dynamics (MPCD), a particle-based description of hydrodynamic…
Stencil computations are widely used in HPC applications. Today, many HPC platforms use GPUs as accelerators. As a result, understanding how to perform stencil computations fast on GPUs is important. While implementation strategies for…
High-performance computing (HPC) is reshaping computational drug discovery by enabling large-scale, time-efficient molecular simulations. In this work, we explore HPC-driven pipelines for Alzheimer's disease drug discovery, focusing on…
Recent development in lightweight OS-level virtualization, containers, provides a potential solution for running HPC applications on the cloud platform. In this work, we focus on the impact of different layers in a containerized environment…
Heterogeneity has become a mainstream architecture design choice for building High Performance Computing systems. However, heterogeneity poses significant challenges for achieving performance portability of execution. Adapting a program to…
As hardware architectures are evolving in the push towards exascale, developing Computational Science and Engineering (CSE) applications depend on performance portable approaches for sustainable software development. This paper describes…
We introduce PennyLane's Lightning suite, a collection of high-performance state-vector simulators targeting CPU, GPU, and HPC-native architectures and workloads. Quantum applications such as QAOA, VQE, and synthetic workloads are…
Geospatial Processing, such as queries based on point-to-polyline shortest distance and point-in-polygon test, are fundamental to many scientific and engineering applications, including post-processing large-scale environmental and climate…
The technology of Quantum Computing (QC) is continuously evolving, as researchers explore new technologies and the public gains access to quantum computers with an increasing number of qubits. In addition, the research community and…
Today, many scientific and engineering areas require high performance computing to perform computationally intensive experiments. For example, many advances in transport phenomena, thermodynamics, material properties, computational…
In the fusion community, the use of high performance computing (HPC) has been mostly dominated by heavy-duty plasma simulations, such as those based on particle-in-cell and gyrokinetic codes. However, there has been a growing interest in…
Quantum computing has the potential to solve many computational problems exponentially faster than classical computers. The high shares of renewables and the wide deployment of converter-interfaced resources require new tools that shall…
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…
This study addresses the challenge of simulating realistic particle systems by proposing a novel particle decomposition scheme that improves the parallel performance of surface resolved particle simulations. Realistic particle systems often…
GPU-based HPC clusters are attracting more scientific application developers due to their extensive parallelism and energy efficiency. In order to achieve portability among a variety of multi/many core architectures, a popular choice for an…
The advent of computationally demanding algorithms and high data rate instruments in new space applications pushes the space industry to explore disruptive solutions for on-board data processing. We examine heterogeneous computing…
Advances in quantum simulator technology is increasingly required because research on quantum algorithms is becoming more sophisticated and complex. State vector simulation utilizes CPU and memory resources in computing nodes exponentially…
Quantum computing is an emerging technology, promising a paradigm shift in computing, and allowing for speedups in many different problems. However, quantum devices are still in their early stages, most with only a small number qubits. This…
The latest Graphics Processing Units (GPUs) are reported to reach up to 200 billion floating point operations per second (200 Gflops) and to have price performance of 0.1 cents per M flop. These facts raise great interest in the…
Over the last three decades, innovations in the memory subsystem were primarily targeted at overcoming the data movement bottleneck. In this paper, we focus on a specific market trend in memory technology: 3D-stacked memory and caches. We…