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High Performance Distributed Computing is essential to boost scientific progress in many areas of science and to efficiently deploy a number of complex scientific applications. These applications have different characteristics that require…
Almost all applications stop scaling at some point; those that don't are seldom performant when considering time to solution on anything but aspirational/unicorn resources. Recognizing these tradeoffs as well as greater user functionality…
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…
Commodity video-gaming hardware (consoles, graphics cards, tablets, etc.) performance has been advancing at a rapid pace owing to strong consumer demand and stiff market competition. Gaming hardware devices are currently amongst the most…
Optimal use of computing resources requires extensive coding, tuning and benchmarking. To boost developer productivity in these time consuming tasks, we introduce the Experimental Linear Algebra Performance Studies framework (ELAPS), a…
We introduce the CUDA Tensor Transpose (cuTT) library that implements high-performance tensor transposes for NVIDIA GPUs with Kepler and above architectures. cuTT achieves high performance by (a) utilizing two GPU-optimized transpose…
The trend towards highly parallel multi-processing is ubiquitous in all modern computer architectures, ranging from handheld devices to large-scale HPC systems; yet many applications are struggling to fully utilise the multiple levels of…
Since its inception in 1995, LAMMPS has grown to be a world-class molecular dynamics code, with thousands of users, over one million lines of code, and multi-scale simulation capabilities. We discuss how LAMMPS has adapted to the modern…
Modern HPC systems are built with innovative system architectures and novel programming models to further push the speed limit of computing. The increased complexity poses challenges for performance portability and performance evaluation.…
Simulating physical systems is a core component of scientific computing, encompassing a wide range of physical domains and applications. Recently, there has been a surge in data-driven methods to complement traditional numerical simulations…
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…
GPUs are now used for a wide range of problems within HPC. However, making efficient use of the computational power available with multiple GPUs is challenging. The main challenges in achieving good performance are memory layout, affecting…
Evolutionary computing (EC) has proven to be effective in solving complex optimization and robotics problems. Unfortunately, typical Evolutionary Algorithms (EAs) are constrained by the computational capacity available to researchers. More…
Heterogeneous high-performance computing (HPC) systems offer novel architectures which accelerate specific workloads through judicious use of specialized coprocessors. A promising architectural approach for future scientific computations is…
SISSO (sure-independence screening and sparsifying operator) is an artificial intelligence (AI) method based on symbolic regression and compressed sensing widely used in materials science research. SISSO++ is its C++ implementation that…
OpenCL is a standard for parallel programming of heterogeneous systems. The benefits of a common programming standard are clear; multiple vendors can provide support for application descriptions written according to the standard, thus…
High performance computing (HPC) has driven collaborative science discovery for decades. Exascale computing platforms, currently in the design stage, will be deployed around 2022. The next generation of supercomputers is expected to utilize…
Finite-difference methods based on high-order stencils are widely used in seismic simulations, weather forecasting, computational fluid dynamics, and other scientific applications. Achieving HPC-level stencil computations on one…
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…
Advancements in large language models (LLMs) are showing promising impact in software development and programming assistance. However, these models struggle when operating on low-level backend code. This challenge is exacerbated in the…