Related papers: Accelerating X-Ray Tracing for Exascale Systems us…
Modeling multimetallic systems efficiently enables faster prediction of desirable chemical properties and design of new materials. This work describes an initial implementation for performing multireference wave function method localized…
Visual tracking is one of the most important application areas of computer vision. At present, most algorithms are mainly implemented on PCs, and it is difficult to ensure real-time performance when applied in the real scenario. In order to…
The Crossroads supercomputer was designed to simulate some of the most complex physical devices in the world. These simulations routinely require 1/2 petabyte or more of system memory running on thousands of compute nodes for months at a…
It has been widely accepted that Graphics Processing Units (GPU) is one of promising schemes for encryption acceleration, in particular, the support of complex mathematical calculations such as integer and logical operations makes the…
Performance tools for emerging heterogeneous exascale platforms must address two principal challenges when analyzing execution measurements. First, measurement of large-scale executions may record mountains of performance data. Second,…
We review recent advances in the capabilities of the open source ab initio Quantum Monte Carlo (QMC) package QMCPACK and the workflow tool Nexus used for greater efficiency and reproducibility. The auxiliary field QMC (AFQMC) implementation…
Large-scale observational health databases are increasingly popular for conducting comparative effectiveness and safety studies of medical products. However, increasing number of patients poses computational challenges when fitting survival…
When running at scale, modern scientific workflows require middleware to handle allocated resources, distribute computing payloads and guarantee a resilient execution. While individual steps might not require sophisticated control methods,…
The ever-increasing demand for computational power and I/O throughput in space applications is transforming the landscape of on-board computing. A variety of Commercial-Off-The-Shelf (COTS) accelerators emerges as an attractive solution for…
We present a high-performance evaluation method for 4-center 2-particle integrals over Gaussian atomic orbitals with high angular momenta ($l\geq4$) and arbitrary contraction degrees on graphical processing units (GPUs) and other…
Current integration, architectural design and manufacturing technologies are not suited for the computing density and power efficiency requested by Exascale computing. New approaches in hardware architecture are thus needed to overcome the…
Finding the convex hull is a fundamental problem in computational geometry. Quickhull is a fast algorithm for finding convex hulls. In this paper, we present VQhull, a fast parallel implementation of Quickhull that exploits vector…
Driven by deep learning, there has been a surge of specialized processors for matrix multiplication, referred to as TensorCore Units (TCUs). These TCUs are capable of performing matrix multiplications on small matrices (usually 4x4 or…
A current trend in HPC systems is the utilization of architectures with SIMD or vector extensions to exploit data parallelism. There are several ways to take advantage of such modern vector architectures, each with a different impact on the…
The rapid growth of scientific data is surpassing advancements in computing, creating challenges in storage, transfer, and analysis, particularly at the exascale. While data reduction techniques such as lossless and lossy compression help…
GPU computing is expected to play an integral part in all modern Exascale supercomputers. It is also expected that higher order Godunov schemes will make up about a significant fraction of the application mix on such supercomputers. It is,…
We present a portable platform, called PIC_ENGINE, for accelerating Particle-In-Cell (PIC) codes on heterogeneous many-core architectures such as Graphic Processing Units (GPUs). The aim of this development is efficient simulations on…
We study ray reordering as a tool for increasing the performance of existing GPU ray tracing implementations. We focus on ray reordering that is fully agnostic to the particular trace kernel. We summarize the existing methods for computing…
Diagrammatic expansions are a paradigmatic and powerful tool of quantum many-body theory. Their evaluation to high order, e.g., by the Diagrammatic Monte Carlo technique, can provide unbiased results in strongly correlated and challenging…
Garfield++ is extensively used within the gaseous detector community for comprehensive detector simulations, supporting the full experimental life cycle from design to operation and calibration. The emergence of micro-pattern gaseous…