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The Kernel Polynomial Method (KPM) is a well-established scheme in quantum physics and quantum chemistry to determine the eigenvalue density and spectral properties of large sparse matrices. In this work we demonstrate the high optimization…
Automatically tuning parallel compute kernels allows libraries and frameworks to achieve performance on a wide range of hardware, however these techniques are typically focused on finding optimal kernel parameters for particular input sizes…
Many tools and libraries employ hardware performance monitoring (HPM) on modern processors, and using this data for performance assessment and as a starting point for code optimizations is very popular. However, such data is only useful if…
In this work we evaluate the potential of FPGAs for accelerating HPC workloads as a more power-efficient alternative to GPUs. Using High-Level Synthesis and a large set of optimization techniques, we show that FPGAs can achieve better…
The progression of scientific computing resources has enabled the numerical approximation of mathematical models describing complex physical phenomena. A significant portion of researcher time is typically dedicated to the development of…
Future computing systems, from handhelds to supercomputers, will undoubtedly be more parallel and heterogeneous than todays systems to provide more performance and energy efficiency. Thus, GPUs are increasingly being used to accelerate…
Recent progress in scientific machine learning (SciML) has opened up the possibility of training novel neural network architectures that solve complex partial differential equations (PDEs). Several (nearly data free) approaches have been…
This paper is devoted to GPU kernel optimization and performance analysis of three tensor-product operators arising in finite element methods. We provide a mathematical background to these operations and implementation details. Achieving…
AMD GPUs offer state-of-the-art compute and memory bandwidth; however, peak performance AMD kernels are written in raw assembly. To address the difficulty of mapping AI algorithms to hardware, recent work proposes C++ embedded and…
With the rapid increase in machine learning workloads performed on HPC systems, it is beneficial to regularly perform machine learning specific benchmarks to monitor performance and identify issues. Furthermore, as part of the Edinburgh…
Efficient GPU execution of convolution operators is governed by memory-access efficiency, on-chip data reuse, and execution mapping rather than arithmetic throughput alone. This paper presents a controlled operator-level study of CUDA…
To address increasing compute demand from recent multi-model workloads with heavy models like large language models, we propose to deploy heterogeneous chiplet-based multi-chip module (MCM)-based accelerators. We develop an advanced…
Next-generation supercomputers will feature more hierarchical and heterogeneous memory systems with different memory technologies working side-by-side. A critical question is whether at large scale existing HPC applications and emerging…
This living paper reviews the present High Performance Computing (HPC) capabilities of the Tinker-HP molecular modeling package. We focus here on the reference, double precision, massively parallel molecular dynamics engine present in…
Parallel programmers face the often irreconcilable goals of programmability and performance. HPC systems use distributed memory for scalability, thereby sacrificing the programmability advantages of shared memory programming models.…
A surge in artificial intelligence and autonomous technologies have increased the demand toward enhanced edge-processing capabilities. Computational complexity and size of state-of-the-art Deep Neural Networks (DNNs) are rising…
Acceleration of Convolutional Neural Network (CNN) on edge devices has recently achieved a remarkable performance in image classification and object detection applications. This paper proposes an efficient and scalable CNN-based SoC-FPGA…
This work deals with the optimization of computer programs targeting Graphics Processing Units (GPUs). The goal is to lift, from programmers to optimizing compilers, the heavy burden of determining program details that are dependent on the…
High Performance Computing (HPC) platforms allow scientists to model computationally intensive algorithms. HPC clusters increasingly use General-Purpose Graphics Processing Units (GPGPUs) as accelerators; FPGAs provide an attractive…
Machine learning techniques are attractive options for developing highly-accurate automated analysis tools for nanomaterials characterization, including high-resolution transmission electron microscopy (HRTEM). However, successfully…