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At least 325 records · Page 18

AMReX and pyAMReX: Looking beyond the exascale computing project

AMReX is a software framework for the development of block-structured mesh applications with adaptive mesh refinement (AMR). AMReX was initially developed and supported by the AMReX Co-Design Center as part of the U.S. DOE Exascale Computing Project (ECP), and is continuing to grow post-ECP. In addition to adding new functionality and performance improvements to the core AMReX framework, we have also developed a Python binding, pyAMReX, that provides a bridge between AMReX-based application codes and the data science ecosystem. pyAMReX provides zero-copy application GPU data access for AI/ML, in situ analysis and application coupling, and enables rapid, massively parallel prototyping. In this paper we review the overall functionality of AMReX and pyAMReX, focusing on new developments, new functionality, and optimizations of key operations. We also summarize capabilities of ECP projects that used AMReX and provide an overview of new, non-ECP applications.

Myers, Andrew↗

Benchmarking treewidth as a practical component of tensor network simulations

Tensor networks are powerful factorization techniques which reduce resource requirements for numerically simulating principal quantum many-body systems and algorithms. The computational complexity of a tensor network simulation depends on the tensor ranks and the order in which they are contracted. Unfortunately, computing optimal contraction sequences (orderings) in general is known to be a computationally difficult (NP-complete) task. In 2005, Markov and Shi showed that optimal contraction sequences correspond to optimal (minimum width) tree decompositions of a tensor network’s line graph, relating the contraction sequence problem to a rich literature in structural graph theory. While treewidth-based methods have largely been ignored in favor of dataset-specific algorithms in the prior tensor networks literature, we demonstrate their practical relevance for problems arising from two distinct methods used in quantum simulation: multi-scale entanglement renormalization ansatz (MERA) datasets and quantum circuits generated by the quantum approximate optimization algorithm (QAOA). We exhibit multiple regimes where treewidth-based algorithms outperform domain-specific algorithms, while demonstrating that the optimal choice of algorithm has a complex dependence on the network density, expected contraction complexity, and user run time requirements. We further provide an open source software framework designed with an emphasis on accessibility and extendability, enabling replicable experimental evaluations and future exploration of competing methods by practitioners.

97 MATHEMATICS AND COMPUTING↗

EPICS Deployment at Fermilab

Fermilab has traditionally not been an EPICS house, as such expertise in EPICS is limited and scattered. However, PIP-II will be using EPICS for its control system. Furthermore, when PIP-II is operating, it must to interface with the existing, though modernized (see ACORN) legacy control system. We have developed and deployed a software pipeline that addresses these needs and presents to developers a tested and robust software framework, including template IOCs from which new developers can quickly gain experience. In this presentation, we will discuss the motivation for this work, the implementation of a continuous integration/continuous deployment pipeline, testing, template IOCs, and the deployment of user applications. We will also discuss how this is used with the current PIP-II teststand and lessons learned.

43 PARTICLE ACCELERATORS↗

Multiphysics Simulations: Challenges and Opportunities

We consider multiphysics applications from algorithmic and architectural perspectives, where “algorithmic” includes both mathematical analysis and computational complexity and “architectural” includes both software and hardware environments. Many diverse multiphysics applications can be reduced, en route to their computational simulation, to a common algebraic coupling paradigm. Mathematical analysis of multiphysics coupling in this form is not always practical for realistic applications, but model problems representative of applications discussed herein can provide insight. A variety of software frameworks for multiphysics applications have been constructed and refined within disciplinary communities and executed on leading-edge computer systems. We examine several of these, expose some commonalities among them, and attempt to extrapolate best practices to future systems. From our study, we summarize challenges and forecast opportunities.

99 GENERAL AND MISCELLANEOUS↗

Shock-driven fluid-structure interaction for civil design

The multiphysics fluid-structure interaction simulation of shock-loaded structures requires the dynamic coupling of a shock-capturing flow solver to a solid mechanics solver for large deformations. The Virtual Test Facility combines a Cartesian embedded boundary approach with dynamic mesh adaptation in a generic software framework of flow solvers using hydrodynamic finite volume upwind schemes that are coupled to various explicit finite element solid dynamics solvers (Deiterding et al., 2006). This paper gives a brief overview of the computational approach and presents first simulations that utilize the general purpose solid dynamics code DYNA3D for complex 3D structures of interest in civil engineering. Results from simulations of a reinforced column, highway bridge, multistory building, and nuclear reactor building are presented.

42 ENGINEERING↗

Verification and Large Deformation Analysis Using the Reproducing Kernel Particle Method

The reproducing kernel particle method (RKPM) is a meshless method used to solve general boundary value problems using the principle of virtual work. RKPM corrects the kernel approximation by introducing reproducing conditions which force the method to be complete to arbritrary order polynomials selected by the user. Effort in recent years has led to the implementation of RKPM within the Sierra/SM physics software framework. The purpose of this report is to investigate convergence of RKPM for verification and validation purposes as well as to demonstrate the large deformation capability of RKPM in problems where the finite element method is known to experience difficulty. Results from analyses using RKPM are compared against finite element analysis. A host of issues associated with RKPM are identified and a number of potential improvements are discussed for future work.

97 MATHEMATICS AND COMPUTING↗

RAVEN Beta Release

This documents the release of the Risk Analysis Virtual Environment (RAVEN) code. A description of the RAVEN code is provided, and discussion of the release process for the M2LW-16IN0704045 milestone. The RAVEN code is a generic software framework to perform parametric and probabilistic analysis based on the response of complex system codes. RAVEN is capable of investigating the system response as well as the input space using Monte Carlo, Grid, or Latin Hyper Cube sampling schemes, but its strength is focused toward system feature discovery, such as limit surfaces, separating regions of the input space leading to system failure, using dynamic supervised learning techniques. RAVEN has now increased in maturity enough for the Beta 1.0 release.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Neutron and X-ray Detectors

The Basic Energy Sciences (BES) X-ray and neutron user facilities attract more than 12,000 researchers each year to perform cutting-edge science at these state-of-the-art sources. While impressive breakthroughs in X-ray and neutron sources give us the powerful illumination needed to peer into the nano- to mesoscale world, a stumbling block continues to be the distinct lag in detector development, which is slowing progress toward data collection and analysis. Urgently needed detector improvements would reveal chemical composition and bonding in 3-D and in real time, allow researchers to watch “movies” of essential life processes as they happen, and make much more efficient use of every X-ray and neutron produced by the source The immense scientific potential that will come from better detectors has triggered worldwide activity in this area. Europe in particular has made impressive strides, outpacing the United States on several fronts. Maintaining a vital U.S. leadership in this key research endeavor will require targeted investments in detector R&D and infrastructure. To clarify the gap between detector development and source advances, and to identify opportunities to maximize the scientific impact of BES user facilities, a workshop on Neutron and X-ray Detectors was held August 1-3, 2012, in Gaithersburg, Maryland. Participants from universities, national laboratories, and commercial organizations from the United States and around the globe participated in plenary sessions, breakout groups, and joint open-discussion summary sessions. Sources have become immensely more powerful and are now brighter (more particles focused onto the sample per second) and more precise (higher spatial, spectral, and temporal resolution). To fully utilize these source advances, detectors must become faster, more efficient, and more discriminating. In supporting the mission of today’s cutting-edge neutron and X-ray sources, the workshop identified six detector research challenges (and two computing hurdles that result from the corresponding increase in data volume) for the detector community to overcome in order to realize the full potential of BES neutron and X-ray facilities. Resolving these detector impediments will improve scientific productivity both by enabling new types of experiments, which will expand the scientific breadth at the X-ray and neutron facilities, and by potentially reducing the beam time required for a given experiment. These research priorities are summarized in the table below. Note that multiple, simultaneous detector improvements are often required to take full advantage of brighter sources. High-efficiency hard X-ray sensors: The fraction of incident particles that are actually detected defines detector efficiency. Silicon, the most common direct-detection X-ray sensor material, is (for typical sensor thicknesses) 100% efficient at 8 keV, 25%efficient at 20 keV, and only 3% efficient at 50 keV. Other materials are needed for hard X-rays. Replacement for 3He for neutron detectors: 3He has long been the neutron detection medium of choice because of its high cross section over a wide neutron energy range for the reaction 3He + n —> 3H + 1H + 0.764 MeV. 3He stockpiles are rapidly dwindling, and what is available can be had only at prohibitively high prices. Doped scintillators hold promise as ways to capture neutrons and convert them into light, although work is needed on brighter, more efficient scintillator solutions. Neutron detectors also require advances in speed and resolution. Fast-framing X-ray detectors: Today’s brighter X-ray sources make time-resolved studies possible. For example, hybrid X-ray pixel detectors, initially developed for particle physics, are becoming fairly mature X-ray detectors, with considerable development in Europe. To truly enable time-resolved studies, higher frame rates and dynamic range are required, and smaller pixel sizes are desirable. High-speed spectroscopic X-ray detectors: Improvements in the readout speed and energy resolution of X-ray detectors are essential to enable chemically sensitive microscopies. Advances would make it possible to take images with simultaneous spatial and chemical information. Very high-energy-resolution X-ray detectors: The energy resolution of semiconductor detectors, while suitable for a wide range of applications, is far less than what can be achieved with X-ray optics. A direct detector that could rival the energy resolution of optics could dramatically improve the efficiency of a multitude of experiments, as experiments are often repeated at a number of different energies. Very high-energy-resolution detectors could make these experiments parallel, rather than serial. Low-background, high-spatial-resolution neutron detectors: Low-background detectors would significantly improve experiments that probe excitations (phonons, spin excitations, rotation, and diffusion in polymers and molecular substances, etc.) in condensed matter. Improved spatial resolution would greatly benefit radiography, tomography, phase-contrast imaging, and holography. Improved acquisition and visualization tools: In the past, with the limited variety of slow detectors, it was straightforward to visualize data as it was being acquired (and adjust experimental conditions accordingly) to create a compact data set that the user could easily transport. As detector complexity and data rates explode, this becomes much more challenging. Three goals were identified as important for coping with the growing data volume from high-speed detectors: Facilitate better algorithm development. In particular, algorithms that can minimize the quantity of data stored. Improve community-driven mechanisms to reduce data protocols and enhance quantitative, interactive visualization tools. Develop and distribute community-developed, detector-specific simulation tools. Aim for parallelization to take advantage of high-performance analysis platforms. Improved analysis work flows: Standardize the format of metadata that accompanies detector data and describes the experimental setup and conditions. Develop a standardized user interface and software framework for analysis and data management. The diversity of detector improvements required is necessarily as broad as the range of scientific experimentation at BES facilities. This workshop identified a variety of avenues by which detector R&D can enable enhanced science at BES facilities. The Research Directions listed above will be addressed by focused R&D and detector engineering, both of which require specialized infrastructure and skills. While U.S. leadership in neutron and X-ray detectors lags behind other countries in several areas, significant talent exists across the complex. A forum of technical experts, facilities management, and BES could be a venue to provide further definition.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Time Dependent Data Mining in RAVEN

RAVEN is a generic software framework to perform parametric and probabilistic analysis based on the response of complex system codes. The goal of this type of analyses is to understand the response of such systems in particular with respect their probabilistic behavior, to understand their predictability and drivers or lack of thereof. Data mining capabilities are the cornerstones to perform such deep learning of system responses. For this reason static data mining capabilities were added last fiscal year (FY 15). In real applications, when dealing with complex multi-scale, multi-physics systems it seems natural that, during transients, the relevance of the different scales, and physics, would evolve over time. For these reasons the data mining capabilities have been extended allowing their application over time. In this writing it is reported a description of the new RAVEN capabilities implemented with several simple analytical tests to explain their application and highlight the proper implementation. The report concludes with the application of those newly implemented capabilities to the analysis of a simulation performed with the Bison code.

97 MATHEMATICS AND COMPUTING↗

Integration of Dakota into the NEAMS Workbench

This report summarizes a NEAMS (Nuclear Energy Advanced Modeling and Simulation) project focused on integrating Dakota into the NEAMS Workbench. The NEAMS Workbench, developed at Oak Ridge National Laboratory, is a new software framework that provides a graphical user interface, input file creation, parsing, validation, job execution, workflow management, and output processing for a variety of nuclear codes. Dakota is a tool developed at Sandia National Laboratories that provides a suite of uncertainty quantification and optimization algorithms. Providing Dakota within the NEAMS Workbench allows users of nuclear simulation codes to perform uncertainty and optimization studies on their nuclear codes from within a common, integrated environment. Details of the integration and parsing are provided, along with an example of Dakota running a sampling study on the fuels performance code, BISON, from within the NEAMS Workbench.

97 MATHEMATICS AND COMPUTING↗

NDFOM Description for DNDO Summer Internship Program

Nuclear Detection Figure of Merit (NDFOM) is a DNDO-funded project at LANL to develop a software framework that allows a user to evaluate a radiation detection scenario of interest, quickly obtaining results on detector performance. It is intended as a “first step” in detector performance assessment, and meant to be easily employed by subject matter experts (SMEs) and non-SMEs alike. The generic scenario consists of a potential source moving past a detector at a relative velocity and with a distance of closest approach. Such a scenario is capable of describing, e.g., vehicles driving through portal monitors, border patrol scanning suspected illicit materials with a handheld instrument, and first responders with backpackor pager-based detectors (see Fig. 1). The backend library is prepopulated by the NDFOM developers to include sources and detectors of interest to DNDO and its community.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Simulations and Data analysis for the 35 ton Liquid Argon detector as a prototype for the DUNE experiment

The Deep Underground Neutrino Experiment (DUNE) is a next-generation neutrino experiment which will be built at the Sanford Underground Research Facility (SURF), and will receive a wide-band neutrino beam from Fermilab, 1300~km away. At this baseline DUNE will be able to study many of the properties of neutrino mixing, including the neutrino mass hierarchy and the value of the CP-violating complex phase ($\delta_{CP}$). DUNE will utilise Liquid Argon (LAr) Time Projection Chamber (TPC) (LArTPC) technology, and the Far Detector (FD) will consist of four modules, each containing 17.1~kt of LAr with a fiducial mass of around 10~kt. Each of these FD modules represents around an order of magnitude increase in size, when compared to existing LArTPC experiments. \\ The 35 ton detector is the first DUNE prototype for the single (LAr) phase design of the FD. There were two running periods, one from November 2013 to February 2014, and a second from November 2015 to March 2016. During t he second running period, a system of TPCs was installed, and cosmic-ray data were collected. A method of particle identification was developed using simulations, though this was not applied to the data due to the higher than expected noise level. A new method of determining the interaction time of a track, using the effects of longitudinal diffusion, was developed using the cosmic-ray data. A camera system was also installed in the detector for monitoring purposes, and to look for high voltage breakdowns. \\ Simulations concerning the muon-induced background rate to nucleon decay are performed, following the incorporation of the MUon Simulations UNderground (MUSUN) generator into the DUNE software framework. A series of cuts which are based on Monte Carlo truth information is developed, designed to reject simulated background events, whilst preserving simulated signal events in the $n \rightarrow K^{+} + e^{-}$ decay channel. No background events are seen to survive the app lication of these cuts in a sample of 2~$\times$~10$^9$ muon! s, representing 401.6~years of detector live time. This corresponds to an annual background rate of <~0.44~events$\cdot$Mt$^{-1}\cdot$year$^{-1}$ at 90\% confidence, using a fiducial mass of 13.8~kt.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Integrated IO Services for Trilinos Data Structures

The Trilinos Project is an effort to develop algorithms and enabling technologies within an object- oriented software framework for the solution of large-scale, complex multi-physics engineering and scientific problems. A unique design feature of Trilinos is its focus on packages. While the abstractions make it easy to incorporate advanced processing and data manipulation tools, it is not always obvious how to take advantage of these features. The trios package incorporated two years ago offers general data management services, but has yet to offer integrated support for core Trilinos data structures, such as those offered in the Tpetra package. An initial attempt to incorporate native Trilinos data structure support into trios services revealed the complexity, from a non-mathematician's perspective, of using Trilinos. This project sought to understand the complexities and potential barriers not just for non-mathematicians that want to contribute to or use Trilinos, but potentially for new mathematically-inclined users as well that may want to offer services to support users. This report documents the challenges for trios to offer some simple data manipulation required as a precursor to any direct data services integration and makes recommendations for clarifying the performance implications and general approach to use.

97 MATHEMATICS AND COMPUTING↗

CMS Patatrack Project [PowerPoint]

This talk presents the technical performance and lessons learned of the Patatrack demonstator, where the CMS pixel local reconstruction and pixel-only track reconstruction have been ported to NVIDIA GPUs. The demonstrator is run within the CMS software framework (CMSSW), and the model of integrating CUDA algorithms to CMSSW is discussed as well.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

FPGAs as a Service to Accelerate Machine Learning Inference [PowerPoint]

Large-scale particle physics experiments face challenging demands for high-throughput computing resources both now and in the future. New heterogeneous computing paradigms on dedicated hardware with increased parallelization, such as Field Programmable Gate Arrays (FPGAs), offer exciting solutions with large potential gains. The growing applications of machine learning algorithms in particle physics for simulation, reconstruction, and analysis are naturally deployed on such platforms. We demonstrate that the acceleration of machine learning inference as a web service represents a heterogeneous computing solution for particle physics experiments that requires minimal modification to the current computing model. As examples, we retrain the ResNet-50 convolutional neural network to demonstrate state-of-the-art performance for top quark jet tagging at the LHC, and apply a ResNet-50 model with transfer learning for neutrino event classification. Using Project Brainwave b y Microsoft to accelerate the ResNet-50 image classification model, we achieve average inference times of 60 (10) milliseconds with our experimental physics software framework using Brainwave as a cloud (edge or on-premises) service, representing an improvement by a factor of approximately 30 (175) in model inference latency over traditional CPU inference in current experimental hardware. A single FPGA service accessed by many CPUs achieves a throughput of 600--700 inferences per second using an image batch of one, comparable to large batch-size GPU throughput and significantly better than small batch-size GPU throughput. Deployed as an edge or cloud service for the particle physics computing model, coprocessor accelerators can have a higher duty cycle and are potentially much more cost-effective.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Data Locality Enhancement of Dynamic Simulations for Exascale Computing (Final Report)

The development of modern processors exhibits two trends that complicate the optimizations of modern software. The first is the increasing sensitivity of processors' throughput to irregularities in computation. With more processors produced through a massive integration of simple cores, future systems will increasingly favor regular data-level parallel computations, but deviate from the needs of applications with complex patterns. Some evidences are already shown on Graphic Processing Units (GPU): Irregular data accesses (e.g., indirect references A[D[i]]) and conditional branches are limiting many GPU applications' performance at a level an order of magnitude lower than the peak of GPU. The second hardware trend is the growing gap between memory bandwidth and the aggregate speed—that is, the sum of all cores' computing power—of a Chip Multiprocessor (CMP). Despite the capped growth of the peak CPU speed, the aggregate speed of a CMP keeps increasing as more cores get into a single chip. It is expected that by 2018, node concurrency in an exascale system will increase by hundreds of times, whereas, memory bandwidth will expand by only 10 to 20 times. Consequently, data movement and storage is expected to consume more than 70% of the total system power. Bridging this gap is difficult; the complexities of modern CMP memory hierarchy make it even harder: Data cache becomes shared among computing units, and the sharing is often non-uniform—whether two computing units share a cache depends on their proximity and the level of the cache. On the recent IBM Power7 architecture, for instance, four hardware contexts (or SMT threads) in a core share the entire memory hierarchy, all cores in one chip share an on-chip L3 cache, and cores across chips share L3 and main memory through off-chip connections. These two trends complicate the translation of computing power into performance, especially for a program with either intensive data accesses or complex patterns in data accesses or control flow paths. Unfortunately, both attributes present and will persist in a class of important applications. For instance, many scientific simulations deal with a large volume of data. And meanwhile, as most real-world processes are non-uniform and evolving (e.g., the evolution of a galaxy or the process of a drug injection), both the computations and data accesses of these programs tend to be irregular and dynamically changing. Currently, the lack of support to these applications on modern CMP severely limits their performance. On GPU, as our recent study shows and other studies echo, performance enhancement of a factor of integers is possible when memory accesses or control flows are streamlined for a set of GPU applications. On multicore CPU, our studies show that traditional locality enhancement, for being oblivious to the new features of multicore memory hierarchy, may even cause large slowdown to data-intensive dynamic applications. The severity of the issues is expected to worsen as the two hardware trends continue. Some recent studies try to match software with the trends, but in a limited scope or manner. For irregularities on GPU, most studies focus on irregularities analyzable through static analysis (e.g., data accesses in regular loops). Dynamic irregularities are harder to address because the needed analysis and transformations typically have to happen at run time. Some other research resorts to hardware extensions, an actual adoption of which is unclear for the entailed space cost and complexity. For data locality, recent years have seen some exploitations of the new memory hierarchy on multicore for performance, but most of them are on process or thread scheduling, rather than program transformations. Our recent study reveals that program-level transformations may magnify the scheduling benefits by a factor of seven, concluding that program-level transformation should play a central role for data locality enhancement on modern CMP. But research in this direction has been sparse, and most have focused on data layout or cache performance modeling, rather than program transformations to match with the new memory hierarchy features. Overall, it is still an open question how to bridge the gap between dynamic computations and the two prominent properties of modern processors. The goal of this project is to develop a set of techniques and software tools to enhance the matching between memory accesses in dynamic simulations and the prominent features of modern and future CMP, alleviating the memory performance issues for petascale and exascale computing. This report summarizes the discoveries and products produced throughout this project. It includes free launch, a new software approach to overcoming the shortcomings of both methods; coherence-free multiview, an approach that allows multiple views of a single data object to co-exist on GPU memory during a GPU kernel execution; algorithmic optimizations to data analytics problems, especially those that involve lots of distance calculations. Supporting dynamic parallelism is important for GPU to benefit a broad range of applications. There are currently two fundamental ways for programs to exploit dynamic parallelism on GPU: a software-based approach with software-managed worklists, and a hardware-based approach through dynamic subkernel launches. Neither is satisfactory. The former is complicated to program and is often subject to some load imbalance; the latter suffers large runtime overhead. In this work, we propose free launch, a new software approach to overcoming the shortcomings of both methods. It allows programmers to use subkernel launches to express dynamic parallelism. It employs a novel compiler-based code transformation named subkernel launch removal to replace the subkernel launches with the reuse of parent threads. Coupled with an adaptive task assignment mechanism, the transformation reassigns the tasks in the subkernels to the parent threads with a good load balance. The technique requires no hardware extensions, immediately deployable on existing GPUs. It keeps the programming convenience of the subkernel launch-based approach while avoiding its large runtime overhead. Meanwhile, its superior load balancing makes it outperform manual worklist-based techniques by 3X on average. The work was published at the 48th Annual IEEE/ACM International Symposium on Microarchitecture (Micro'2015). A Graphic Processing Unit (GPU) system is typically equipped with many types of memory (e.g., global, constant, texture, shared, cache). Data placement determines what data are placed on which type of memory, essential for GPU memory performance. Prior optimizations of data placement always require a single view of a data object on memory, which limits the optimization effectiveness. In this work, we propose coherence-free multiview, an approach that allows multiple views of a single data object to co-exist on GPU memory during a GPU kernel execution. We demonstrate that under certain conditions, the multiple views can remain incoherent while facilitating enhanced data placement. We present a theorem and some compiler support to ensure the soundness of the usage of coherence-free multiview. We further develop reference-discerning data placement, a new way to enhance data placements on GPU. It enables more flexible data placements by using coherence-free multiview to leverage the slack in coherence requirement of some GPU programs. Experiments on three types of GPU systems show that, with less than 200KB space cost, the new data placement technique can provide a 1.6X average (up to 4.27X) speedup. In addition, we have examined algorithmic optimizations to data analytics problems, especially those that involve lots of distance calculations. Computing distances among data points is an essential part of many important algorithms in data analytics, graph analysis, and other domains. In each of these domains, developers have spent significant manual effort optimizing algorithms, often through novel applications of the triangle equality, in order to minimize the number of distance computations in the algorithms. In this work, we observe that many algorithms across these domains can be generalized as an instance of a generic distance-related abstraction. Based on this abstraction, we derive seven principles for correctly applying the triangular inequality to optimize distance-related algorithms. Guided by the findings, we develop Triangular OPtimizer (TOP), the first software framework that is able to automatically produce optimized algorithms that either matches or outperforms manually designed algorithms for solving distance-related problems. TOP achieves up to 237x speedups and 2.5X on average. The work has been published at the 32nd International Conference on Machine Learning (ICML'15) and the 41st International Conference on Very Large Data Bases (VLDB'15).

42 ENGINEERING↗

Development and Validation of Predictive Models for In-Cylinder Radiation and Wall Heat Transfer

The lack of accurate submodels for in-cylinder radiation and heat transfer has been identified as a key shortcoming in developing truly predictive, physics-based computational fluid dynamics (CFD) models that can be used to develop and design combustion systems for advanced high-efficiency, low-emissions engines. Measurements of wall boundary layers in engines show discrepancies of up to 100% with respect to standard CFD boundary layer models. And analysis of in-cylinder radiation based on the most recent spectral property databases and high-fidelity radiative transfer equation solvers has shown that at operating pressures and exhaust-gas recirculation levels typical of modern compression-ignition truck engines, molecular gas radiation (mainly carbon dioxide and water vapor) can be more important than soot particle radiation, and that a significant fraction of the emitted radiation (50% or more) can be reabsorbed before reaching the walls, thereby acting to redistribute energy in the combustion chamber. In this project, an integrated experimental and simulation approach has been used to generate new physical insight into in-cylinder heat-transfer processes in engines, and to develop computationally practicable CFD-based models that accurately represent the physics. New experimental data have been taken in an optically accessible single-cylinder research engine, and in a multi-cylinder production engine. Those data have provided new insight into the radiative environment in engines. New CFD models have been developed and validated for in-cylinder heat transfer, focusing mainly on radiative heat transfer and coupling between turbulent boundary layer wall heat transfer and radiative heat transfer. The CFD models have been developed and implemented in an open-source software framework that can be shared with other researchers. The models are compatible both with unsteady Reynolds-averaged Navier Stokes (URANS) formulations and with large-eddy simulations (LES) of in-cylinder processes in engines.

02 PETROLEUM↗

Dakota-NAERM Integration

This report presents the results of a collaborative effort under the Verification, Validation, and Uncertainty Quantification (VVUQ) thrust area of the North American Energy Resilience Model (NAERM) program. The goal of the effort described in this report was to integrate the Dakota software with the NAERM software framework to demonstrate sensitivity analysis of a co-simulation for NAERM.

97 MATHEMATICS AND COMPUTING↗