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AIAA Science and Technology Forum and Exposition, AIAA SciTech Forum 2025

作者： Davis, Andrew Guzik, Stephen Gao, Xinfeng Computational Fluid Dynamics and Propulsion Laboratory University of Virginia CharlottesvilleVA22904 United States Applied Numerical Algorithms Group Lawrence Berkely National Lab BerkelyCA94720 United States

ISBN: (数字)9781624107238

ISBN: (纸本)9781624107238

The performance of a brick-based and hash-table-based framework, HashBrick, supporting distributed structured-grid calculations on heterogeneous architectures, is evaluated with a fourth-order accurate finite-volume algorithm in space and time. HashBrick is implemented with brick data structures and hash tables to provide performance portability across CPUs and GPUsondistributed parallel architectures. It is optimized for CFD algorithms characterized by local clusters of structured-grid data that are otherwise sparsely distributed in the domain. Asimple acoustic Gaussian pulse problem is solved to primarily stress memory bandwidth and latency. A weak-scaling study was performed to demonstrate HashBrick’s performance on multiple computing nodes. The performance of HashBrick is assessed by comparing wall-clock time and energy against a CPU-only CFD solver, for the same power budget. Two-sided MPI communication with a bulk synchronization is compared against one-sided SHMEM and NVSHMEMcommunication. © 2025, American Institute of Aeronautics and Astronautics Inc, AIAA. All rights reserved.

关键词： Brick

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Calling C Library DLLs from C#

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DR DOBBS JOURNAL 2005年第10期30卷 58-62页

作者： Datardina, S Numerical Algorithms Group

The .NET Framework was designed to be the \"lingua franca\" for Windows development, with the expectation that it will set a new standard for building integrated software for Windows. However, it is inevitable that there is a time lag before .NET is fully adopted and existing applications are recod-ed. In particular, there is a large body of legacy code that will likely never be rewritten in .NET. To address this situation, Microsoft provides attributes, assembly, and marshaling. At the numerical algorithms group (where I work), our particular interest in using these techniques is to utilize numerical software developed in C from within the .NET environment. Because C# is the premier .NET language, the examples I present here are in O. While I use an example of data types that are current in the NAG C Library, the techniques I present are general enough for calling unmanaged code written in C from O directly.

关键词： lingua franca Nets iodine data types oxygen SLC6A2 gene integrated software calls Legacy ELK3 gene Libraries

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FlexPro7: An integrated package for data analysis and presentation

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Scientific Computing 2006年第9期23卷 20-21+26页

作者： Wass, John A. Numerical Algorithms Group United States

FlexPro is one of those hybrids that attempt to "put it all under one umbrella." In this case, it represents an amalgamation of spreadsheet, graphics, linking and analytic capabilities. The software presents this in an integrated format so the user sees and can access all of the screens at once (Figure 1). By linking data and graphics capabilities, simplifying links with Object lists, and embedding data in an object-oriented project database that is easy to navigate, the developers offer yet another attempt at integrating information. This is not merely copycat software, however, but it offers several very useful features as well as niche functionalities that distinguish it from others. It also gives the novice a nice sense of control over any large data set and comfortably places that user in the driver's seat. As such, it makes extensive use of Excel, thus making it highly attractive to most anyone who works with technical data. The analytic functions, as well as most of the examples, seem geared to the engineer, but that covers a wide range of users in itself.

关键词： Metals

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VISUALIZATION OF SPHERE PACKS USING A DATA-FLOW TOOLKIT

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JOURNAL OF MOLECULAR GRAPHICS & MODELLING 1994年第4期12卷 275-281页

作者： WALTON, J The Numerical Algorithms Group Ltd. Oxford UK

We describe the construction of a simple application for the visualization of sphere packs, with applications to molecular graphics. Our development environment is IRIS Explorer one of the new generation of so-called dataflow toolkits. We emphasize particularly the way in which working in such an environment facilitates the design and construction process, paying special attention to tools which aid the importing of data into the application, the design of the user interface, and the extension or modification of existing tools. Some examples of the use of the application in the field of molecular modeling are presented.

关键词： DATA-FLOW TOOLKITS IRIS EXPLORER MOLECULAR MODELING SPHERES VISUALIZATION

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Optimization of a Triangular Delaunay Mesh Generator using Reinforcement Learning

arXiv

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arXiv 2025年

作者： Thacher, Will Pan, Yulong Persson, Per-Olof Applied Numerical Algorithms Group Lawrence Berkeley National Laboratory BerkeleyCA94720 United States Applied Science and Technology Group University of California Berkeley BerkeleyCA94720 United States Mathematics Group Lawrence Berkeley National Laboratory BerkeleyCA94720 United States Department of Mathematics University of California Berkeley BerkeleyCA94720 United States

In this work we introduce a triangular Delaunay mesh generator that can be trained using reinforcement learning to maximize a given mesh quality metric. Our mesh generator consists of a graph neural network that distributes and modifies vertices, and a standard Delaunay algorithm to triangulate the vertices. We explore various design choices and evaluate our mesh generator on various tasks including mesh generation, mesh improvement, and producing variable resolution meshes. The learned mesh generator outputs meshes that are comparable to those produced by Triangle and DistMesh, two popular Delaunay-based mesh generators. © 2025, CC BY.

关键词： Reinforcement learning

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Emerging multi-core realities

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Scientific Computing 2006年第9期23卷 25-26页

作者： Meyer, Rob Numerical Algorithms Group United States

The emergence of clusters with multicore nodes offers several potential scenarios. The final and most complex scenario is one in which the user application is aware of a heterogeneous environment and incorporates code to utilize both message passing and SMP techniques to gain the maximum performance. One of the challenges to taking advantage of the hardware 'horsepower' on clusters has been the inability or unwillingness of users to restructure their code to take advantage of distributed memory parallelism via message passing tools such as MPICH and similar tools. While the use of certain language features or coding techniques may save some code or improve performance, the advantage is frequently negated when the code needs to be ported. There is no one solution that will work for all.

关键词： Message passing

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TOOLPACK--PROVIDING EXTENDED SUPPORT FOR THE FORTRAN PROGRAMMER.

TOOLPACK--PROVIDING EXTENDED SUPPORT FOR THE FORTRAN PROGRAM...

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Proceedings of Software Process Workshop.

作者： Hague, S.J. Numerical Algorithms Group Oxford Engl Numerical Algorithms Group Oxford Engl

ISBN: (纸本)0818605871

The background and aims of the Toolpack project are given, and the current state of efforts to produce a powerful, integrated set of tools to support the Fortran programmer is reviewed. A description is then given of likely future directions of research and development as the Toolpack concept of programming support is broadened and refined. 4 refs.

关键词： COMPUTER PROGRAMMING LANGUAGES

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Will any answer do?: Can supercomputers make simulation answers more accurate?

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Scientific Computing 2009年第4期26卷 17-18页

作者： Jones, Andrew HPC Consulting Numerical Algorithms Group United Kingdom

Computer models may be developed by the research group using them, by close collaborators or by a distant third party, such as a commercial provider. All computer simulation users must guard against the easy trap that the predictions must be more accurate than they were previously, simply because the model is now is now using a higher resolution, or has a snazzy new physics algorithm, or ran for longer, or processed more input data. High performance computing (HPC) can make better modeling and predictions possible through faster and more accurate production use of the models. The extra computational power of HPC can deliver innovation and real advantage into any research program or business. The huge increase in computational power from HPC means that different methods may be better able to deliver the science. For example, the model could be re-architected to be tolerant of infrastructure faults and/or data corruptions or the model could be enhanced to perform ongoing accuracy checks during simulations.

关键词： Supercomputers

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Using Mixture Density Networks for Uncertainty and Prediction in Seismic Reservoir Characterization 2

Using Mixture Density Networks for Uncertainty and Predictio...

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2nd International Meeting for Applied Geoscience and Energy, IMAGE 2022

作者： Rosenbaum, Cornelius Warnick, Ryan Yusifov, Anar Biswas, Reetam Roy, Atish Numerical Algorithms Group bp

Uncertainty quantification has received significant focus in the geophysics community in recent years;extending from general simulation based approaches to measure the amount of variation in the system under study, as well as more complex Bayesian modalities which incorporate ideas from Bayesian statistics and many other methods not mentioned here. More recently, there has been work in Bayesian approaches to neural networks, which endow the parameters of neural networks with prior distributions and exploiting the flexibility of neural network architectures to model complex behavior. We present an illustration of a more recently developed style of modeling uncertainty, Mixture Density Networks (MDNs), and present an application of the method to a reservoir characterization problem. Our approach provides good performance in prediction of the reservoir properties of three of the relevant reservoir rock properties with corresponding uncertainties. In addition, the approach permits new types of inferences that can help guide practitioners in their study of the reservoir. © 2022 Society of Exploration Geophysicists and the American Association of Petroleum Geologists.

关键词： Complex networks

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Ensuring value in HPC procurements: A few benchmarking tips from HECToR

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Scientific Computing 2009年第6期26卷 21-22页

作者： Amrstrong, Chris Computational Science and Engineering Team Numerical Algorithms Group United Kingdom

The UK's national supercomputing service for academic research, known as 'HECToR' (High End Computing Terascale Resource), provides a few tips for ensuring value in HPC procurements. For each of the machines evaluated in the HECToR procurement, the performance of each benchmark code (in FLOPS) on that machine was divided by the best performance figure for that benchmark taken over all machines and the base figure for the previous national HPC service. The benchmarks were based on runs of the UK HPC user applications: CASINO, CASTEP, NAMD, HELIUM and the Unified Model. Each benchmark was executed on a clean system with no other jobs, and in a so-called saturation test. Getting the decision right relies on a representative selection of user codes in the benchmark suite and the appropriate assignment of weightings. A correctly designed benchmarking regime matched to the individual needs of the procurement is almost certainly the best method of establishing a robust technical assessment.

关键词： High performance computing Benchmarking (Management) Product management Electronic data processing Supercomputers Industrial procurement

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