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At least 1,801 records · Page 100

HIPLZ: Enabling performance portability for exascale systems

While heterogeneous computing has emerged as a dominant trend in current and future High-Performance Computing (HPC) systems, it is also widely recognized that this shift has led to increased software complexity due to a proliferation of programming systems for different heterogeneous processors. One such example is the Heterogeneous-Compute Interface for Portability from AMD (HIP ), which is composed of a C Runtime API and C++ Kernel Language. Many HPC applications will likely use HIP on future exascale systems (e.g., Frontier and El Capitan), but HIP currently only targets AMD and NVIDIA processors. This limitation creates challenges for users who would also like to run their applications on exascale systems based on other architectures (e.g., Aurora, which is based on Intel hardware) that are currently not targeted by HIP . In this paper, we introduce the design and implementation of HIPLZ , a compiler and runtime system that uses the Intel Level Zero API to support HIP on Intel GPU architectures. We discuss the design of HIPLZ , derived from HIPCL (an implementation of HIP on top of OpenCL ), and portability issues that occur from using the Level Zero runtime as a backend. We evaluate our implementation by running several performance benchmarks and mini-apps written in HIP on Intel architectures using HIPLZ . Our results show that this approach provides competitive performance relative to Intel's OpenCL implementations on Intel Gen9 and UHD Graphics 770 GPUs, while providing good coverage of features needed by HPC applications. Overall, this approach is a promising demonstration of enabling performance portability for exascale systems.

97 MATHEMATICS AND COMPUTING↗

A knowledge brokerage approach for assessing the impacts of the setting up young farmers policy measure in Greece

This study explores Knowledge Brokerage (KB) aspects of an ex-post Impact Assessment (IA) for the Rural Development Programme (RDP) measure of setting up young farmers, under the Common Agricultural Policy (CAP), at the regional level in Northern Greece. The measure supports the entry of young farmers in agriculture by moving land from older to younger farmers. The aim of the study was to test a set of KB tools for improving the interaction between researchers and policy makers. Our analysis mainly focused on a suite of IA Support Modules to guide practitioners, and on a technical tool kit, a web-based contextualisation platform, to support the IA of the specific test case. Offering a structured approach towards IA, both the Support Modules and LIAISE-KIT allow framing the context, organisation, scheduling and method selection in the light of KB objectives. The evaluation of how IA Support Modules influence the Science Policy Interface (SPI), in the case of the ex-post assessment, demonstrated the high relevance of KB activities for facilitating the interaction between researchers and regional policy makers. The assessment bridges the gap between knowledge producers developing scientific output to be applied in a specific context, and knowledge users, who want clear messages regarding the policy challenges they face. Other conclusions include the need for specific guidelines and training for knowledge users, especially with regard to the use of tools. According to our findings, a consequent application of KB activities is a crucial pre-condition for successfully implementing IAs in future RDP measures.

54 ENVIRONMENTAL SCIENCES↗

BiGG Models: A platform for integrating, standardizing and sharing genome-scale models

In this study, genome-scale metabolic models are mathematically structured knowledge bases that can be used to predict metabolic pathway usage and growth phenotypes. Furthermore, they can generate and test hypotheses when integrated with experimental data. To maximize the value of these models, centralized repositories of high-quality models must be established, models must adhere to established standards and model components must be linked to relevant databases. Tools for model visualization further enhance their utility. To meet these needs, we present BiGG Models (http://bigg.ucsd.edu), a completely redesigned Biochemical, Genetic and Genomic knowledge base. BiGG Models contains more than 75 high-quality, manually-curated genome-scale metabolic models. On the website, users can browse, search and visualize models. BiGG Models connects genome-scale models to genome annotations and external databases. Reaction and metabolite identifiers have been standardized across models to conform to community standards and enable rapid comparison across models. Furthermore, BiGG Models provides a comprehensive application programming interface for accessing BiGG Models with modeling and analysis tools. As a resource for highly curated, standardized and accessible models of metabolism, BiGG Models will facilitate diverse systems biology studies and support knowledge-based analysis of diverse experimental data.

59 BASIC BIOLOGICAL SCIENCES↗

Exploratory Nuclear Reactor Safety Analysis and Visualization via Integrated Topological and Geometric Techniques

A recent trend in the nuclear power engineering field is the implementation of heavily computational and time consuming algorithms and codes for both design and safety analysis. In particular, the new generation of system analysis codes aim to embrace several phenomena such as thermo-hydraulic, structural behavior, and system dynamics, as well as uncertainty quantification and sensitivity analyses. The use of dynamic probabilistic risk assessment (PRA) methodologies allows a systematic approach to uncertainty quantification. Dynamic methodologies in PRA account for possible coupling between triggered or stochastic events through explicit consideration of the time element in system evolution, often through the use of dynamic system models (simulators). They are usually needed when the system has more than one failure mode, control loops, and/or hardware/process/software/human interaction. Dynamic methodologies are also capable of modeling the consequences of epistemic and aleatory uncertainties. The Monte-Carlo (MC) and the Dynamic Event Tree (DET) approaches belong to this new class of dynamic PRA methodologies. The major challenges in using MC and DET methodologies (as well as other dynamic methodologies) are the heavier computational and memory requirements compared to the classical ET analysis. This is due to the fact that each branch generated can contain time evolutions of a large number of variables (about 50,000 data channels are typically present in RELAP) and a large number of scenarios can be generated from a single initiating event (possibly on the order of hundreds or even thousands). Such large amounts of information are usually very difficult to organize in order to identify the main trends in scenario evolutions and the main risk contributors for each initiating event. This report aims to improve Dynamic PRA methodologies by tackling the two challenges mentioned above using: 1) adaptive sampling techniques to reduce computational cost of the analysis and 2) topology-based methodologies to interactively visualize multidimensional data and extract risk-informed insights. Regarding item 1) we employ learning algorithms that aim to infer/predict simulation outcome and decide the coordinate in the input space of the next sample that maximize the amount of information that can be gained from it. Such methodologies can be used to both explore and exploit the input space. The later one is especially used for safety analysis scopes to focus samples along the limit surface, i.e. the boundaries in the input space between system failure and system success. Regarding item 2) we present a software tool that is designed to analyze multi-dimensional data. We model a large-scale nuclear simulation dataset as a high-dimensional scalar function defined over a discrete sample of the domain. First, we provide structural analysis of such a function at multiple scales and provide insight into the relationship between the input parameters and the output. Second, we enable exploratory analysis for users, where we help the users to differentiate features from noise through multi-scale analysis on an interactive platform, based on domain knowledge and data characterization. Our analysis is performed by exploiting the topological and geometric properties of the domain, building statistical models based on its topological segmentations and providing interactive visual interfaces to facilitate such explorations.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

ARM Aerosol Measurement Science Group 2019 Strategic Planning Workshop Report

This report summarizes the results of a U.S. Department of Energy Atmospheric Radiation Measurement (ARM) user facility workshop held in November 2019 to advance a science-based strategy for ARM’s aerosol measurement program. This was the second such workshop since the Aerosol Measurement Science Group (AMSG) was chartered in 2015 to enhance coordination of ARM observations of aerosols and atmospheric trace gases with the needs of ARM users. The results presented here reflect the AMSG’s focus in recent years on science-based strategies that will contribute to the increased use of ARM data to fulfill its mission of improving process representations and predictability in climate models. Sessions held during the workshop range from interfacing with models through aerosol sampling strategies to calibration protocols and data products. The strategies set forth here were also developed to be directly relevant to ARM’s updated Decadal Vision. The AMSG workshops have been designed to recommend actions that will enable ARM to evolve and continue to meet its mission. To that end, the AMSG will develop an actionable plan from the recommendations outlined here. Some are well defined and can reasonably be accomplished in the short term. Others are less definite or of a larger scope that calls for a longer-term implementation. Further discussion will be required to develop and prioritize actionable items related to such areas. Task teams comprising the appropriate expertise and perspective from the AMSG and other members of the community will be formed to achieve this outcome. Some particular topics are recognized as high priority, so plans are underway to develop task teams and to hold follow-on discussions to address them. Four areas currently being considered for short, focused discussion are 1) aerosol measurements on the North Slope of Alaska, 2) improving data usability for modeling, 3) strategies for advancing remote sensing, vertical profiling, and distributed measurements of aerosols, and 4) aerosol sampling strategies at existing ARM sites to provide intensive modes of operation to promote data usage for process and modeling studies.

54 ENVIRONMENTAL SCIENCES↗

ARM Aerosol Measurement Science Group 2019 Strategic Planning Workshop Report

This report summarizes the results of a U.S. Department of Energy Atmospheric Radiation Measurement (ARM) user facility workshop held in November 2019 to advance a science-based strategy for ARM’s aerosol measurement program. This was the second such workshop since the Aerosol Measurement Science Group (AMSG) was chartered in 2015 to enhance coordination of ARM observations of aerosols and atmospheric trace gases with the needs of ARM users. The results presented here reflect the AMSG’s focus in recent years on science-based strategies that will contribute to the increased use of ARM data to fulfill its mission of improving process representations and predictability in climate models. Sessions held during the workshop range from interfacing with models through aerosol sampling strategies to calibration protocols and data products. The AMSG workshops have been designed to recommend actions that will enable ARM to evolve and continue to meet its mission. To that end, the AMSG will develop an actionable plan from the recommendations outlined here. Some are well defined and can reasonably be accomplished in the short term. Others are less definite or of a larger scope that calls for a longer-term implementation. Further discussion will be required to develop and prioritize actionable items related to such areas. Task teams comprising the appropriate expertise and perspective from the AMSG and other members of the community will be formed to achieve this outcome. Some particular topics are recognized as high priority, so plans are underway to develop task teams and to hold follow-on discussions to address them. Four areas currently being considered for short, focused discussion are 1) aerosol measurements on the North Slope of Alaska, 2) improving data usability for modeling, 3) strategies for advancing remote sensing, vertical profiling, and distributed measurements of aerosols, and 4) aerosol sampling strategies at existing ARM sites to provide intensive modes of operation to promote data usage for process and modeling studies.

54 ENVIRONMENTAL SCIENCES↗

Archival, anonymization and presentation of HTCondor logs with GlideinMonitor

GlideinWMS is a pilot framework to provide uniform and reliable HTCondor clusters using heterogeneous and unreliable resources. The Glideins are pilot jobs that are sent to the selected nodes, test them, set them up as desired by the user jobs, and ultimately start an HTCondor schedd to join an elastic pool. These Glideins collect information that is very useful to evaluate the health and efficiency of the worker nodes and invaluable to troubleshoot when something goes wrong. This data, including local stats, the results of all the tests, and the HTCondor log files, is packed and sent to the GlideinWMS Factory. To access this information, developers and troubleshooters must exchange emails with Factory operators and dig manually into files. Furthermore, these files contain also information like email and IP addresses, and user IDs, that we want to protect and limit access to. GlideinMonitor is a Web application to make these logs more accessible and useful: it organizes the logs in an efficient compressed archive; it allows to search, unpack, and inspect them, all in a convenient and secure Web interface; via plugins like the log anonymizer, it can redact protected information preserving the parts useful for troubleshooting.

Mambelli, Marco↗

Microbial sensor system for monitoring the environment and surfaces

A microbial sensor, system and method that can be used to determine the biochemical conditions of waters, saturated sediments, unsaturated soils, rhizosphere and other environments is disclosed. The flexibility of the microbial sensor design allows for the monitoring of surfaces (skin, ventilation conduits, etc.). An electrochemical microbial sensor system is composed of an indicator electrode(s) and a reference electrode. The reference electrode employs a hydrogen permeable membrane. The electrochemical system is interfaced into a signal/communication module allowing the manual or automated collection of data from field deployments and laboratory investigations. The data is transmitted using various communication technologies including Bluetooth™, cellular, satellite and radio telemetry to cloud-based data management systems. The stored data may be downloaded by users using open-source dashboard and visualization software to image the various environments and/or surfaces investigated.

Burge, Scott R.↗

A Numerical Simulation of Transport Phenomena During the Horizontal Single Belt Casting Process Using an Inclined Feeding System

Horizontal single belt casting (HSBC) has great potential to replace current conventional continuous casting (CCC) processes for sheet metal production, by directly casting 3 to 1 mm sheet for the automobile industry. In the present paper, two-dimensional mathematical models were developed to study transport phenomena, for the case of an inclined wall feeding system for a liquid aluminum wrought alloy (AA6111). Based on the commercial software ANSYS FLUENT 14.5 and user-defined functions, a two-layer turbulence model was used to examine the fluid flow emanating from a slot nozzle set above a water-cooled, high-speed, steel belt. The Volume of Fluid (VOF) method was used to predict the shape of the melt-air interface. A transformed coordinate system (x′, y′) was established in order to analyze the fluid flow on the inclined wall of the feeding system. The total pressure gauge gradient (∂p{sub total}/∂x) was used to describe the behavior of the melt film inside the slot nozzle of the head box. The modeling results show that during the melt film falling process, the total gauge pressure varies within the slot nozzle, which can decrease the stability of the falling film. The first impingement between the falling film and the inclined refractory wall of the feeding system gives rise to a local oscillation, and this influences the stability of the melt film moving downwards. At the rear meniscus position between the inclined wall and the moving belt, there is a clear vibration of the air-melt interface, together with a recirculation zone. The weak vibration of the air-melt interface could be induced by the periodic variation of the melt-air interface. Moreover, the formation of tiny air pockets is predicted. Finally, on the inclined wall of the feeding system, a suitable length of the transition area is needed to avoid over-acceleration of the melt film due to the force of gravity.

36 MATERIALS SCIENCE↗

Experimental validation of advanced regulations for superconducting magnet cooling undergoing periodic heat loads

Superconducting magnets used in tokamaks undergo periodic heat load caused by cycling plasma operations inducing AC losses, neutrons fluxes and eddy currents in magnet structures. In the cryogenic system of JT60-SA tokamak, the Auxiliary Cold Box (ACB) distributes helium from the refrigerator to the cryogenic users and in particular to the superconducting magnets. ACB comprises a saturated helium bath with immersed heat exchangers, extracting heat from independent cooling loops. The supercritical helium flow in each cooling loop is driven by a cold circulator. In order to safely operate the refrigerator during plasma pulses, the interface between the ACB and the refrigerator shall be as stable as possible, with well-balanced bath inlet and outlet mass flows during cycling operation. The solution presented in this paper relies on a combination of regulations to smooth pulsed heat loads and to keep a constant refrigeration power during all the cycle. Two smoothing strategies are presented, both regulating the outlet mass flow of the bath: the first one using the bath as a thermal buffer and the second one storing energy in the loop by varying the cold circulator speed. The bath outlet mass flow is also controlled by an immersed resistive heater which enables a constant evaporation rate in the bath when power coming from the loops is decreasing. The refrigeration power is controlled so that the compensating power remains within an acceptable margin. Experimental validation is achieved using the HELIOS facility. This facility running at CEA Grenoble since 2010 is a scaled down model of the ACB bath and Central Solenoid magnet cooling loop of the JT60-SA tokamak. Test results show performances and robustness of the regulations.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

SonicPy: a suite of programs for ultrasound pulse-echo data acquisition and analysis

Sound speed and elastic constants measurements in solids and liquids are commonly performed using the ultrasound pulse-echo technique. Recent advances have expanded the use of this technique at numerous high pressure synchrotron beamlines and offline laboratories. However, the increased experimental throughput has revealed many limitations in existing software for handling the rapid measurement and the subsequent data-reduction. Here, we report the development of a collection of computer programs for sound speed measurements using the ultrasound pulse-echo technique, compatible with stepped multi-frequency, as well as broadband-pulse, couplant-corrected methods. The programs provide a highly interactive graphical interface, enable efficient measurement, exploration and near real-time analysis of the ultrasound data, and contain features useful for working with samples under high pressure and/or high temperature. The included analysis programs can alleviate the time required for data reduction from hours to less than a minute, allowing users to make timely and informed decisions regarding the appropriate experimental parameters.

97 MATHEMATICS AND COMPUTING↗

Scalable Reasoning System (SRS)

SRS is a web-based and mobile toolkit for information visualization and collaboration. It includes server-side components in the form of web services that provide analytical functions such as data clustering and temporal analysis. The SRS client is accessed via a web browser and uses asynchronous javascript and XML (AJAX) to interact with and visualize the results of these web services. Users of SRS can query data sources that are connected to the SRS backend, and query results are presented in the form of coordinated visual displays in a web browser that depict temporal, topical, and spatial relationships in the results. SRS also includes an early stage graphical reasoning diagram interface that helps analysts express and test hypotheses. This software was developed with funding from the Science and Technology Directorate of the U.S. Department of Homeland Security.

Pike, William↗

Charon User Manual (V.2.1) (Rev.01)

This manual gives usage information for the Charon semiconductor device simulator. Charon was developed to meet the modeling needs of Sandia National Laboratories and to improve on the capabilities of the commercial TCAD simulators; in particular, the additional capabilities are running very large simulations on parallel computers and modeling displacement damage and other radiation effects in significant detail. The parallel capabilities are based around the MPI interface which allows the code to be ported to a large number of parallel systems, including linux clusters and proprietary "big iron" systems found at the national laboratories and in large industrial settings.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Seascape Interface Control Document

This all-inclusive document describes the components, installation, and usage of the Seascape system. Additionally, this manual outlines the step-by-step processes for setting up your own local instance of Seascape, incorporating new datasets and algorithms into Seascape, and how to use the system itself. A brief overview of Seascape is provided in Section 1.2. System components and the various roles of the intended users of the system are described in Section 1.3. Next, steps on how each role uses Seascape are explained in Section 2.1. Finally, the steps to incorporate data into Seascape-DB and an algorithm into Seascape-VV are outlined in Sections 2.2 and 2.3, respectively. Steps to set up an instance of Seascape can be found in Appendix A.1. Finally, Seascape usage can be found in Section 2.1. The appendix includes code examples, frequently asked questions, terminology, and a list of acronyms.

97 MATHEMATICS AND COMPUTING↗

Modeling Non-UO2 Fuel With UNF-ST&DARDS

The U.S. Department of Energy’s Used Nuclear Fuel-Storage, Transportation & Disposal Analysis Resource and Data System (UNF-ST&DARDS) provides an easy-to-use interface to analyze irradiated UO2 fuel by allowing all analysis to be performed within the software and being able to store and use dozens of fuel assembly, canister, and cask designs [1]. However, performing these same analyses with non-UO2 fuel, such as UN or U3Si2, requires more user intervention in the process. This work uses UN, UN-ZrO2, and U3Si2 fuel to demonstrate how to perform criticality analyses in the current versions of UNF-ST&DARDS and how a non-UO2 fuel will compare to UO2. This work is part of a larger effort that also includes shielding and thermal analyses, but they will not be discussed.

Ivanusa, Pavlo↗

Snow ALbedo eVOlution (SALVO) Campaign Snow Depth and Related Surface Properties from April - June, 2024 in Utqiagivk, AK

Detailed transects of snow depths and related measurements were made with a magnaprobe along fixed lines in Utqiagvik, AK. The operator measures snow depth by plunging a rod with a sliding basket into the snow and pressing a trigger. At this point, the data logger records the distance between the tip of the rod and the height of the basket, the measurement number, the time, and the geographic location of the measurement. To measure snow depth, the rod tip must be placed at the snow-ground or snow-sea ice interface. The interface can be hard or soft; in the latter case, it is possible to “over-probe”, producing a snow depth that is too high. At times, the probe was also used to measure the depths of other interfaces within the snowpack (for example, the depth to persistent ice lenses) or the water depths of ponds atop the tundra or sea ice. When these alternative depth measurements were made, the operator recorded the location, measurement number, and composition of the alternative depth measurement in a field notebook. The data logger on the probe stores several thousand points. Data is downloaded to a computer at the end of a day or several days. Probes: We used 2 magnaprobes identified as GEO1 and GEODEL with the following serial numbers: S/N 20240416 (GEO1) and S/N P48066 (GEODEL). Note : There are three data levels available with this dataset: b3, b4, and a6. New users of these data are strongly encouraged to use the level a6 or b4 data.

54 ENVIRONMENTAL SCIENCES↗

Charon User Manual: v. 2.2 (revision1)

This manual gives usage information for the Charon semiconductor device simulator. Charon was developed to meet the modeling needs of Sandia National Laboratories and to improve on the capabilities of the commercial TCAD simulators; in particular, the additional capabilities are running very large simulations on parallel computers and modeling displacement damage and other radiation effects in significant detail. The parallel capabilities are based around the MPI interface which allows the code to be ported to a large number of parallel systems, including linux clusters and proprietary “big iron” systems found at the national laboratories and in large industrial settings.

42 ENGINEERING↗

Extending C++ for Heterogeneous Quantum-Classical Computing

In this report we present qcor - a language extension to C++ and compiler implementation that enables heterogeneous quantum-classical programming, compilation, and execution in a single-source context. Our work provides a first-of-its-kind C++ compiler enabling high-level quantum kernel (function) expression in a quantum-language agnostic manner, as well as a hardware-agnostic, retargetable compiler workflow targeting a number of physical and virtual quantum computing backends. qcor leverages novel Clang plugin interfaces and builds upon the XACC system-level quantum programming framework to provide a state-of-the-art integration mechanism for quantum-classical compilation that leverages the best from the community at-large. qcor translates quantum kernels ultimately to the XACC intermediate representation, and provides user-extensible hooks for quantum compilation routines like circuit optimization, analysis, and placement. This work details the overall architecture and compiler workflow for qcor, and provides a number of illuminating programming examples demonstrating its utility for near-term variational tasks, quantum algorithm expression, and feed-forward error correction schemes.

97 MATHEMATICS AND COMPUTING↗

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