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At least 703 records · Page 39

Spack-Based Packaging and Development for HEP

The art event-based analysis framework is used by multiple Intensity Frontier and other experiments and projects in High Energy Physics (HEP). A system of tools and scripts based around a Fermilab-originated package management system called UNIX Product Support (UPS) has evolved to provide development, packaging, release management, and distribution of the art suite, related experimental software and external dependencies in relocatable binary form. The existing system has limitations in environments such as macOS with System Integrity Protection (SIP) enabled and the various High Performance Computing (HPC) systems that the field of HEP is increasingly looking to leverage. This has led to a search for other ways of providing experiments with a packaging and build system that meets their needs. We describe our efforts to develop a packaging and release management system based on the Spack HPC package management tool to replace the existing UPS-based system. We additionally describe a companion system: SpackDev and cetmodules, allowing simultaneous development of multiple HEP software packages in a consistent environment. A successful implementation of the intended system would have applicability across HEP rather than merely to the users of the art framework.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

2014 Earth System Grid Federation and Ultrascale Visualization Climate Data Analysis Tools Conference Report

The climate and weather data science community met December 9–11, 2014, in Livermore, California, for the fourth annual Earth System Grid Federation (ESGF) and Ultrascale Visualization Climate Data Analysis Tools (UV-CDAT) Face-to-Face (F2F) Conference, hosted by the Department of Energy, National Aeronautics and Space Administration, National Oceanic and Atmospheric Administration, the European Infrastructure for the European Network of Earth System Modelling, and the Australian Department of Education. Both ESGF and UVCDATremain global collaborations committed to developing a new generation of open-source software infrastructure that provides distributed access and analysis to simulated and observed data from the climate and weather communities. The tools and infrastructure created under these international multi-agency collaborations are critical to understanding extreme weather conditions and long-term climate change. In addition, the F2F conference fosters a stronger climate and weather data science community and facilitates a stronger federated software infrastructure. The 2014 F2F conference detailed the progress of ESGF, UV-CDAT, and other community efforts over the year and sets new priorities and requirements for existing and impending national and international community projects, such as the Coupled Model Intercomparison Project Phase Six. Specifically discussed at the conference were project capabilities and enhancements needs for data distribution, analysis, visualization, hardware and network infrastructure, standards, and resources.

54 ENVIRONMENTAL SCIENCES↗

CRADA: Data Acquisition and Tomographic Software Development

Dr. Raymond R. Raylman, Professor and Vice Chair for Research, Radiology Department at WVU was the Principal Investigator for the project. The Jefferson Lab partner on this project was the Radiation Detector and Imaging Group in the Physics Division, led by Dr. Drew Weisenberger who was the coordinator of the project execution and the chief contact with WVU. The responsibility of Jefferson Lab was to facilitate optimization of data acquisition software, conversion of JLab Fortran iterative positron emission mammography computer code to C++ and to act as a computer code repository. During the two year project interactions and exchange of information was directed by Dr. Raylman and Dr. Wesienberger. WVU provided the expertise that allowed JLab to continue development of the current JLab data acquisition software referred to as JDAQ. JDAQ is a highly flexible Java language based data acquisition tool that helps to minimize software induced dead-time while maintaining the highest possible data rates from a JLab built FPGA based analog-to-digital convertor (ADC). JDAQ interfaces directly with the FPGA based multi-channel ADCs. Using JDAQ it is possible process data from a number of different detector types such as the PET systems at WVU. Because of the inherent flexibility of our processing software, we are also able adjust detector readout parameters during operation to provide the best possible data presentation and calibration parameters. To accommodate the high rate nature of PET detector systems JDAQ was designed to be scalable across an Ethernet network as well as for multi-cpu computer systems, and it also has the capability to synchronize many ADCs connected to multiple computers. During the project WVU will provided iterative reconstruction algorithm expertise and Fortran programming assistance to facilitate the conversion to C++ of a JLab developed Fortran positron emission mammography (PEM) reconstruction code. Also WVU provided acceptance testing of the new C++ based PEM reconstruction code. The PEM code is a maximization (MLEM) image reconstruction program that created images from the list-mode data acquired from the PET system.

97 MATHEMATICS AND COMPUTING↗

An Open-Source Python Package for CFD Solution Verification

Informed decision-making using computational fluid dynamics (CFD) results requires quantifying the errors and uncertainties of a simulation. Verification, validation, and uncertainty quantification (VVUQ) methods were developed to address this need and have matured. However, these VVUQ analyses are often non-trivial and require CFD analysts and practitioners to have specific skill sets. This has led to the uneven adoption of VVUQ analyses, in part, based on the availability of software tools to aid CFD analysts and practitioners. Solution verification, a procedure to evaluate the accuracy of a simulation by estimating potential errors arising from the computational model and computing the uncertainties without comparing to results from a physical system, is one of the lagging VVUQ analyses as the absence of software has forced CFD analysts and practitioners to develop their own codes or piece together incomplete software from across the internet. This work presents an opensource Python package, CFDverify, to lower the barrier of entry and fill in the technological gap in solution verification. CFDverify also provides a streamlined framework to remove some potential errors in post-processing CFD results. The hope is that CFDverify can improve the quality and quantity of CFD solution verification in scientific and research studies and attract interest in developing a communal tool. This paper describes the design, features, and an example use of CFDverify.

Weinmeister, Justin [ORNL] (ORCID:0000000160090237↗

Final Report for ARPA-E LOCOMOTIVES Advanced Locomotive Technology and Rail Infrastructure Optimization System (ALTRIOS) Project

The Advanced Locomotive Technology and Rail Infrastructure Optimization System (ALTRIOS) is a unique, fully integrated, open-source software tool used to evaluate strategies for cost-effectively deploying advanced locomotive technologies and associated infrastructure. ALTRIOS simulates freight-demand-driven train scheduling, mainline meet-pass planning, locomotive dynamics, train dynamics, energy conversion efficiencies, and energy storage dynamics of line-haul train operations. Because new locomotives represent a significant long-term capital investment and new technologies must be thoroughly demonstrated before deployment, this tool provides guidance on the risk/reward trade-offs and operation integration of different technology rollout strategies. An open, integrated simulation tool is valuable for identifying future research needs and making decisions on technology development, routes, and train selection. This final report details the ALTRIOS software architecture, major modules and components, and data validation process. It demonstrates the software's utility through a 30-year rollout case study targeting high penetration of advanced powertrain technologies by 2050 for two BNSF Railway routes: loaded taconite ore trains from Hibbing, Minnesota, to Superior, Wisconsin, and mixed-freight trains from Superior to Minneapolis, Minnesota.

33 ADVANCED PROPULSION SYSTEMS↗

Modern Computational Techniques for the HMMER Sequence Analysis

This paper focuses on the latest research and critical reviews on modern computing architectures, software and hardware accelerated algorithms for bioinformatics data analysis with an emphasis on one of the most important sequence analysis applications—hidden Markov models (HMM). We show the detailed performance comparison of sequence analysis tools on various computing platforms recently developed in the bioinformatics society. The characteristics of the sequence analysis, such as data and compute-intensive natures, make it very attractive to optimize and parallelize by using both traditional software approach and innovated hardware acceleration technologies.

59 BASIC BIOLOGICAL SCIENCES↗

Joint Development of SAS4A Code in Application to Oxide-fueled LFR Severe Accident Analysis

The scope of this project was to pursue specific SAS4A liquid-metal cooled reactor (LMR) safety analysis software extensions to simulate postulated accidents with fuel failures for oxide-fueled Lead-cooled Fast Reactors (LFRs). Since most U.S. LMR experience is on sodium-cooled fast reactor options based on past testing and operation experience with EBR-II and FFTF, the DOE’s legacy fast reactor safety analysis capabilities were focused on metal-fueled pool-type concepts with sodium coolant. In recent years, Westinghouse Electric Company (WEC) has decided to pursue an LFR design as one of their next generation nuclear technology options because of its favorable safety and economics attributes. Oxide fuel is considered among other fuel options due to previous WEC experience with this fuel form. Development of this new technology requires the availability of adequately accurate computational tools, some of which can be adapted from versions of similar software used for analysis of other LMRs. Although Argonne National Laboratory’s (ANL) SAS4A/SASSYS-1 safety analysis software suite (shortened as SAS4A code hereafter for brevity) has the basic capabilities to model LFR system designs, the SAS4A code modules used in the analysis of accidents with fuel/cladding failures lack appropriate models for the unique phenomena that govern as-irradiated oxide-fuel damage mechanisms in lead coolant. Therefore, the objective of this project was to extend the capabilities of SAS4A with mechanistic oxide-fuel failure models in lead coolant for margin to failure assessments, analysis of failure modes, location and timing of failures under different accident scenarios consistent with the whole-plant dynamic response including the reactivity feedback, and assessment of the potential for fuel damage propagation due to potential fission gas jet and fuel-fragment/molten fuel impingement to neighboring fuel pins in an assembly. This report provides mainly a summary of Argonne’s technical contributions in the joint project, but the reports and publications by the Participant team are included as references at the end of the report.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

GNET2: an R package for constructing gene regulatory networks from transcriptomic data

Abstract Motivation The Gene Network Estimation Tool (GNET) is designed to build gene regulatory networks (GRNs) from transcriptomic gene expression data with a probabilistic graphical model. The data preprocessing, model construction and visualization modules of the original GNET software were developed on different programming platforms, which were inconvenient for users to deploy and use. Results Here, we present GNET2, an improved implementation of GNET as an integrated R package. GNET2 provides more flexibility for parameter initialization and regulatory module construction based on the core iterative modeling process of the original algorithm. The data exchange interface of GNET2 is handled within an R session automatically. Given the growing demand for regulatory network reconstruction from transcriptomic data, GNET2 offers a convenient option for GRN inference on large datasets. Availability and implementation The source code of GNET2 is available at https://github.com/jianlin-cheng/GNET2. Supplementary information Supplementary data are available at Bioinformatics online.

59 BASIC BIOLOGICAL SCIENCES↗

Online Monitoring of Plant Assets in the Nuclear Industry

Today’s online monitoring technologies provide opportunities to perform predictive and proactive health management of assets within many different industries, in particular the defense and aerospace industries. The nuclear industry can leverage these technologies to enhance safety, productivity, and reliability of the aging fleet of existing nuclear power plants. The U.S. Department of Energy’s Light Water Reactor Sustainability Program is collaborating with the Electric Power Research Institute’s (EPRI’s) Long-Term Operations program to implement online monitoring in existing nuclear power plants. Proactive online monitoring in the nuclear industry is being explored using EPRI’s Fleet-Wide Prognostic and Health Management (FW-PHM) Suite software, a set of web-based diagnostic and prognostic tools and databases that serves as an integrated health monitoring architecture. This paper focuses on development of asset fault signatures used to assess the health status of generator step-up transformers and emergency diesel generators in nuclear power plants. Asset fault signatures describe the distinctive features based on technical examinations that can be used to detect a specific fault type. Fault signatures are developed based on the results of detailed technical research and on the knowledge and experience of technical experts. The Diagnostic Advisor of the FW-PHM Suite software matches developed fault signatures with operational data to provide early identification of critical faults and troubleshooting advice that could be used to distinguish between faults with similar symptoms. This research is important as it will support the automation of predictive online monitoring techniques in nuclear power plants to diagnose incipient faults, perform proactive maintenance, and estimate the remaining useful life of assets.

20 FOSSIL-FUELED POWER PLANTS↗

Jay : A software framework for prototyping and evaluating offloading applications in hybrid edge clouds

Abstract We present Jay , a software framework for offloading applications in hybrid edge clouds. Jay provides an API, services, and tools that enable mobile application developers to implement, instrument, and evaluate offloading applications using configurable cloud topologies, offloading strategies, and job types. We start by presenting Jay 's job model and the concrete architecture of the framework. We then present the programming API with several examples of customization. Then, we turn to the description of the internal implementation of Jay instances and their components. Finally, we describe the Jay Workbench, a tool that allows the setup, execution, and reproduction of experiments with networks of hosts with different resource capabilities organized with specific topologies. The complete source code for the framework and workbench is provided in a GitHub repository.

Silva, Joaquim↗

Efficient monitoring of CRAB jobs at CMS

CRAB is a tool used for distributed analysis of CMS data. Users can submit sets of jobs with similar requirements (tasks) with a single request. CRAB uses a client-server architecture, where a lightweight client, a server, and ancillary services work together and are maintained by CMS operators at CERN. As with most complex software, good monitoring tools are crucial for efficient use and longterm maintainability. This work gives an overview of the monitoring tools developed to ensure the CRAB server and infrastructure are functional, help operators debug user problems, and minimize overhead and operating cost. This work also illustrates the design choices and gives a report on our experience with the tools we developed and the external ones we used.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

BubbleCluster v4

The BubbleCluster algorithm was developed to help address the limitations of traditional genetic mapping tools when presented with large amounts of data. The BubbleCluster software is a tool for the initial stage in the genetic mapping pipeline -- clustering genetic markers into linkage groups. BubbleCluster was designed to tackle large genetic marker data sets, and has been tested on input of up to 1.6M markers. Input format is identical to that of the popular MSTMap package, aiding useability.

Buluc, Aydin↗

Automated genomic context analysis and experimental validation platform for discovery of prokaryote transcriptional regulator functions

The clustering of genes in a pathway and the co-location of functionally related genes is widely recognized in prokaryotes. We used these characteristics to predict the metabolic involvement for a Transcriptional Regulator (TR) of unknown function, identified and confirmed its biological activity. A software tool that identifies the genes encoded within a defined genomic neighborhood for the subject TR and its homologs was developed. The output lists of genes in the genetic neighborhoods, their annotated functions, the reactants/products, and identifies the metabolic pathway in which the encoded-proteins function. When a set of TRs of known function was analyzed, we observed that their homologs frequently had conserved genomic neighborhoods that co-located the metabolically related genes regulated by the subject TR. We postulate that TR effectors are metabolites in the identified pathways; indeed the known effectors were present. We analyzed Bxe_B3018 from Burkholderia xenovorans , a TR of unknown function and predicted that this TR was related to the glycine, threonine and serine degradation. We tested the binding of metabolites in these pathways and for those that bound, their ability to modulate TR binding to its specific DNA operator sequence. Using rtPCR, we confirmed that methylglyoxal was an effector of Bxe_3018.

59 BASIC BIOLOGICAL SCIENCES↗

Bend Magnet Heat Loads and Out of Orbit Scenarios

This paper presents an analytical calculation of the spatial power spectrum emitted from relativistic electrons passing through a series of bend magnets. Using lattice files from the software Elegant, both the ideal and missteered trajectories taken by the beam are considered in determination of the power profile. Calculations were performed for the Advanced Photon Source Upgrade multi-bend-achromat storage-ring. The power distribution and integrated total power values are in agreement with Synrad, a monte-carlo based program developed at CERN, within one percent error. The analytic solution used in this software gives a both quick and accurate tool for calculating the heat load on a photon absorber. The location and orientation can be optimized in order to reduce the peak intensity and thus the maximum thermal stress. The program can be used with any optimization or FEA software and gives rise to a versatile set of uses. [1]

MAGNET HEAT LOADS↗

NARAC Dispersion Model Product Integration With RadResponder

Work on enhanced cooperation and interoperability of Nuclear Incident Response Teams (NIRT) is a joint effort between DHS/FEMA, DOE/NNSA and EPA. One such effort was the integration between the RadResponder Network, a resource sponsored by FEMA for the management of radiological data during an emergency, and the National Atmospheric Advisory Center (NARAC), a DOE/NNSA modeling resource whose predictions are used to aid radiological emergency preparedness and response. Working together under a FEMA-sponsored project these two radiological response assets developed a capability to read and display plume model prediction results from the NARAC computer system in the RadResponder software tool. As a result of this effort, RadResponder users have been provided with NARAC modeling predictions of contamination areas, radiological dose levels, and protective action areas (e.g., areas warranting worker protection or sheltering/evacuation) to help guide protective action decisions and field monitoring surveys, and gain key situation awareness following a radiological/nuclear accident or incident (e.g., nuclear power plant accident, radiological dispersal device incident, or improvised nuclear detonation incident). This document describes the details of this integration effort.

54 ENVIRONMENTAL SCIENCES↗

FY2017 Updates to the SAS4A/SASSYS-1 Safety Analysis Code

The SAS4A/SASSYS-1 safety analysis software is used to perform deterministic analysis of anticipated events as well as design-basis and beyond-design-basis accidents for advanced fast reactors. It plays a central role in the analysis of U.S. DOE conceptual designs, proposed test and demonstration reactors, and in domestic and international collaborations. This report summarizes the code development activities that have taken place during FY2017. Extensions to the void and cladding reactivity feedback models have been implemented, and Control System capabilities have been improved through a new virtual data acquisition system for plant state variables and an additional Block Signal for a variable lag compensator to represent reactivity feedback for novel shutdown devices. Current code development and maintenance needs are also summarized in three key areas: software quality assurance, modeling improvements, and maintenance of related tools. With ongoing support, SAS4A/SASSYS-1 can continue to fulfill its growing role in fast reactor safety analysis and help solidify DOE’s leadership role in fast reactor safety both domestically and in international collaborations.

97 MATHEMATICS AND COMPUTING↗

Methodology for the Incorporation of Passive Component Aging Modeling into the RAVEN/ RELAP-7 Environment

Passive system, structure and components (SSCs) will degrade over their operation life and this degradation may cause to reduction in the safety margins of a nuclear power plant. In traditional probabilistic risk assessment (PRA) using the event-tree/fault-tree methodology, passive SSC failure rates are generally based on generic plant failure data and the true state of a specific plant is not reflected realistically. To address aging effects of passive SSCs in the traditional PRA methodology [1] does consider physics based models that account for the operating conditions in the plant, however, [1] does not include effects of surveillance/inspection. This paper represents an overall methodology for the incorporation of aging modeling of passive components into the RAVEN/RELAP-7 environment which provides a framework for performing dynamic PRA. Dynamic PRA allows consideration of both epistemic and aleatory uncertainties (including those associated with maintenance activities) in a consistent phenomenological and probabilistic framework and is often needed when there is complex process/hardware/software/firmware/ human interaction [2]. Dynamic PRA has gained attention recently due to difficulties in the traditional PRA modeling of aging effects of passive components using physics based models and also in the modeling of digital instrumentation and control systems. RAVEN (Reactor Analysis and Virtual control Environment) [3] is a software package under development at the Idaho National Laboratory (INL) as an online control logic driver and post-processing tool. It is coupled to the plant transient code RELAP-7 (Reactor Excursion and Leak Analysis Program) also currently under development at INL [3], as well as RELAP 5 [4]. The overall methodology aims to: • Address multiple aging mechanisms involving large number of components in a computational feasible manner where sequencing of events is conditioned on the physical conditions predicted in a simulation environment such as RELAP-7. • Identify the risk-significant passive components, their failure modes and anticipated rates of degradation • Incorporate surveillance and maintenance activities and their effects into the plant state and into component aging progress. • Asses aging affects in a dynamic simulation environment 1. C. L. SMITH, V. N. SHAH, T. KAO, G. APOSTOLAKIS, “Incorporating Ageing Effects into Probabilistic Risk Assessment –A Feasibility Study Utilizing Reliability Physics Models,” NUREG/CR-5632, USNRC, (2001). 2. T. ALDEMIR, “A Survey of Dynamic Methodologies for Probabilistic Safety Assessment of Nuclear Power Plants, Annals of Nuclear Energy, 52, 113-124, (2013). 3. C. RABITI, A. ALFONSI, J. COGLIATI, D. MANDELLI and R. KINOSHITA “Reactor Analysis and Virtual Control Environment (RAVEN) FY12 Report,” INL/EXT-12-27351, (2012). 4. D. ANDERS et.al, "RELAP-7 Level 2 Milestone Report: Demonstration of a Steady State Single Phase PWR Simulation with RELAP-7," INL/EXT-12-25924, (2012).

97 MATHEMATICS AND COMPUTING↗

Integral Full Core Multi-Physics PWR Benchmark with Measured Data

In recent years, the importance of modeling and simulation has been highlighted extensively in the DOE research portfolio with concrete examples in nuclear engineering with the CASL and NEAMS programs. These research efforts and similar efforts worldwide aim at the development of high-fidelity multi-physics analysis tools for the simulation of current and next-generation nuclear power reactors. Like all analysis tools, verification and validation is essential to guarantee proper functioning of the software and methods employed. The current approach relies mainly on the validation of single physic phenomena (e.g. critical experiment, flow loops, etc.) and there is a lack of relevant multiphysics benchmark measurements that are necessary to validate high-fidelity methods being developed today. This work introduces a new multi-cycle full-core Pressurized Water Reactor (PWR) depletion benchmark based on two operational cycles of a commercial nuclear power plant that provides a detailed description of fuel assemblies, burnable absorbers, in-core fission detectors, core loading and re-loading patterns. This benchmark enables analysts to develop extremely detailed reactor core models that can be used for testing and validation of coupled neutron transport, thermal-hydraulics, and fuel isotopic depletion. The benchmark also provides measured reactor data for Hot Zero Power (HZP) physics tests, boron letdown curves, and three-dimensional in-core flux maps from 58 instrumented assemblies. The benchmark description is now available online and has been used by many groups. However, much work remains to be done on the quantification of uncertainties and modeling sensitivities. This work aims to address these deficiencies and make this benchmark a true non-proprietary international benchmark for the validation of high-fidelity tools. This report details the BEAVRS uncertainty quantification for the first two cycle of operations and serves as the final report of the project.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗