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Massively parallel architectures such as the GPU are becoming increasingly important due to the recent proliferation of data. In this paper, we propose a key class of hybrid parallel graphlet algorithms that leverages multiple CPUs and GPUs…
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…
The Poisson-Fermi model is an extension of the classical Poisson-Boltzmann model to include the steric and correlation effects of ions and water treated as nonuniform spheres in aqueous solutions. Poisson-Boltzmann electrostatic…
The ongoing convergence of HPC and cloud computing presents a fundamental challenge: HPC applications, designed for static and homogeneous supercomputers, are ill-suited for the dynamic, heterogeneous, and volatile nature of the cloud.…
Heterogeneous graph neural networks (HGNNs) are essential for capturing the structure and semantic information in heterogeneous graphs. However, existing GPU-based solutions, such as PyTorch Geometric, suffer from low GPU utilization due to…
We present a GPU-accelerated version of the real-space SPARC electronic structure code for performing hybrid functional calculations in generalized Kohn-Sham density functional theory. In particular, we develop a batch variant of the…
This article presents an automatic approach to quickly derive a good solution for hardware resource partition and task granularity for task-based parallel applications on heterogeneous many-core architectures. Our approach employs a…
Analysis of processing time and similarity of images generated between CPU and GPU architectures and sequential and parallel programming. For image processing a computer with AMD FX-8350 processor and an Nvidia GTX 960 Maxwell GPU was used,…
The performance of discrete general purpose graphics processing units (GPGPUs) has been improving at a rapid pace. The PCIe interconnect that controls the communication of data between the system host memory and the GPU has not improved as…
Comprehending the performance bottlenecks at the core of the intricate hardware-software interactions exhibited by highly parallel programs on HPC clusters is crucial. This paper sheds light on the issue of automatically asynchronous MPI…
We introduce in this paper, HeteroSTA, the first CPU-GPU heterogeneous timing analysis engine that efficiently supports: (1) a set of delay calculation models providing versatile accuracy-speed choices without relying on an external golden…
Simulations of physical phenomena are essential to the expedient design of precision components in aerospace and other high-tech industries. These phenomena are often described by mathematical models involving partial differential equations…
Recently, successes have been achieved for the high-order gas-kinetic schemes (HGKS) on unstructured meshes for compressible flows. In this paper, to accelerate the computation, HGKS is implemented with the graphical processing unit (GPU)…
Graphics Processing Units (GPUs) have become the standard in accelerating scientific applications on heterogeneous systems. However, as GPUs are getting faster, one potential performance bottleneck with GPU-accelerated applications is the…
As supercomputers' complexity has grown, the traditional boundaries between processor, memory, network, and accelerators have blurred, making a homogeneous computer model, in which the overall computer system is modeled as a continuous…
Modern computer systems typically conbine multicore CPUs with accelerators like GPUs for inproved performance and energy efficiency. However, these sys- tems suffer from poor performance portability, code tuned for one device must be…
Deploying new supercomputers requires testing and evaluation via application codes. Portable, user-friendly tools enable evaluation, and the Multicomponent Flow Code (MFC), a computational fluid dynamics (CFD) code, addresses this need. MFC…
Computational models are increasingly used for diagnosis and treatment of cardiovascular disease. To provide a quantitative hemodynamic understanding that can be effectively used in the clinic, it is crucial to quantify the variability in…
We present a massively parallel solver that accelerates DC loadflow computations for power grid topology optimization tasks. Our approach leverages low-rank updates of the Power Transfer Distribution Factors (PTDFs) to represent substation…
The rapid growth of deep learning has driven exponential increases in model parameters and computational demands. NVIDIA GPUs and their CUDA-based software ecosystem provide robust support for parallel computing, significantly alleviating…