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At least 595 records · Page 33

RAJA Performance Suite

The RAJA Performance Suite is designed to evaluate performance of the RAJA performance portability library on a wide variety of important high performance computing (HPC) algorithmic lulmels. These kernels assess compiler optimizations and various parallel programming model backends accessible through RAJA, such as OpenMP, CUDA, etc. The Initial version of the suite contains 25 computational kernels, each of which appears in 6 variants: Baseline SequcntiaJ, RAJA SequentiaJ, Baseline OpenMP, RAJA OpenMP, Baseline CUDA, RAJA CUDA. All variants of each kernel perform essentially the same mathematical operations and the loop body code for each kernel is identical across all variants. There are a few kernels, such as those that contain reduction operations, that require CUDA-specific coding for their CUDA variants. ActuaJ computer instructions executed and how they run in parallel differs depending on the parallel programming model backend used and which optimizations are perfonned by the compiler used to build the Perfonnance Suite executable. The Suite will be used primarily by RAJA developers to perform regular assessments of RAJA performance across a range of hardware platforms and compilers as RAJA features are being developed. It will also be used by LLNL hardware and software vendor panners for new defining requirements for future computing platform procurements and acceptance testing. In particular, the RAJA Performance Suite will be used for compiler acceptance testing of the upcoming CORAUSierra machine {initial LLNL delivery expected in late-2017/early 2018) and the CORAL-2 procurement. The Suite will aJso be used to generate concise source code reproducers of compiler and runtime issues we uncover so that we may provide them to relevant vendors to be fixed.

Hornung, RichardD.↗

Highly Extensible X-ray Diffraction Toolkit

This code has been previous released as open source under LLNL-CODE-529294. The HEXRD program comprises a library of X-ray diffraction analysis tools and a stand-alone GUI application. While there are many software packages that provide similar capabilities, HEXRD was designed to provide an extremely flexible and extensible basis for describing a broad array of X-ray diffraction instruments; this includes both mono- and poly-chromatic modalities as well as poly- and single-crystal samples. The high-level objects include Material: an abstraction for defining crystalline materials, including unit cell parameters and anisotropic elastic moduli Imageseries: an interface for series of diffraction images containing one or more frames, including provisions for metadata. Instrument: an abstraction of an X-ray diffraction instrument including support for the definition of multiple detector elements as well as powder, Laue, and mono-chromatic single/multi-grain diffraction analysis modalities (including attendant calibration routines). The hexrdgui package is a standalone PySide2/Qt5 GUI built on top of hexrd. The 0.8.1 release includes various bug fixes as well as some new functionality in the GUI, including: o Enhancements to the import tools for LLNL diffraction instruemtns (PXRDIP and TARDIS) o The ability to save 1-d LeBail fits of integrated diffraction spectra.

Barton, NathanR.↗

2023 Data Science Challenge Notebooks

THE DATA SCIENCE INSTITUTE WILL BE INVITING STUDENTS FROM UC MERCED AND UC RIVERSIDE TO PARTICIPATE IN A DATA SCIENCE CHALLENGE AT LLNL. IN THE CHALLENGE, THE STUDENTS WILL EXPLORE A DATA-DRIVEN APPROACH TO RECONSTRUCTING ELECTROANATOMICAL MAPS OF THE HEART AT CLINICALLY RELEVANT RESOLUTIONS, COMBINING INPUT FROM THE STANDARD 12-LEAD ECG WITH ADVANCED MACHINE LEARNING TECHNIQUES. THE DATA THE STUDENTS WILL HAVE ACCESS TO HAS BEEN IM REVIEWED FOR EXTERNAL RELEASE. (LLNL-MI-835833) THESE NOTEBOOKS WILL PROVIDE THE STUDENTS WITH INSTRUCTIONS OF HOW TO LOAD THE DATA AND WORK WITH THE DATA, ALONG WITH TUTORIALS TO DO BASIC MACHINE LEARNING TASKS LIKE LOGISTIC REGRESSION AND IMAGE CLASSIFICATION.

Landajuela Larma, Mikel↗

Interpretable, Extensible Linear Regression Model for Electron Density Prediction

This code allows us to generate a model to predict ground state electron densities directly from atomic structure thereby bypassing the need to perform direct DFT calculations. It is based on many body correlation descriptors defined in https://arxiv.org/abs/2004.14442 (IM release numbers: LLNL-JRNL- 808791 and LLNL-JRNL-840698). The code reads in electron densities, in CHGCAR format used by the DFT code VASP, calculates many-body correlation descriptors based on atoms surrounding a grid point and then uses linear regression to obtain the fitting parameters.

Kumar, Shashikant↗

LABLE: A Multi-Institutional, Student-Led, Atmospheric Boundary Layer Experiment

This paper presents an overview of the Lower Atmospheric Boundary Layer Experiment (LABLE), which included two measurement campaigns conducted at the Atmospheric Radiation Measurement (ARM) Southern Great Plains site in Oklahoma during 2012 and 2013. LABLE was conducted as a collaborative effort between the University of Oklahoma (OU), the National Severe Storms Laboratory, Lawrence Livermore National Laboratory (LLNL), and the ARM program. LABLE can be considered unique in that it was designed as a multi-phase, low-cost, multi-agency collaboration. Graduate students served as principal investigators and took the lead in designing and conducting experiments aimed at examining boundary-layer processes. The main objective of LABLE was to study turbulent phenomena in the lowest 2 km of the atmosphere over heterogeneous terrain using a variety of novel atmospheric profiling techniques. Several instruments from OU and LLNL were deployed to augment the suite of in-situ and remote sensing instruments at the ARM site. The complementary nature of the deployed instruments with respect to resolution and height coverage provides a near-complete picture of the dynamic and thermodynamic structure of the atmospheric boundary layer. Here, this paper provides an overview of the experiment including i) instruments deployed, ii) sampling strategies, iii) parameters observed, and iv) student involvement. To illustrate these components, the presented results focus on one particular aspect of LABLE, namely the study of the nocturnal boundary layer and the formation and structure of nocturnal low-level jets. During LABLE, low-level jets were frequently observed and they often interacted with mesoscale atmospheric disturbances such as frontal passages.

54 ENVIRONMENTAL SCIENCES↗

Kimberlina - Regional Static 3D Geologic Model of the Southern San Joaquin Basin

Regional static 3D geologic model of the southern San Joaquin Basin for the Westcarb Kimberlina demonstration project created in Earthvision (DGI, Inc.). Also contains a smaller-scale model from the larger basin domain for the geometry used in Birkholzer et al. (2011). Data sets derived from: Wagoner, J., 2009, 3D geologic modeling of the Southern San Joaquin Basin for the Westcarb Kimberlina demonstration project—A status report: Lawrence Livermore National Laboratory LLNL-TR-410813, 27 p. Birkholzer, J.T., Zhou, Q., Cortis, A. and Finsterle, S., 2011, A sensitivity study on regional pressure buildup from large-scale CO2 storage projects. Energy Procedia, 4, pp.4371-4378. LLNL contact and file inventory creator: Kayyum Mansoor (mansoor1@llnl.gov)

3D Geological Model↗

Contribution to the Development of DOE ARM Climate Best Estimate Data (ARMBE) Products: Land Surface Forcing and Evaluation Data Set (ARMBE-LAND) from the ARM SGP Site

To support the LLNL ARM Best Estimate Data Products (ARMBE) data development, the San Jose State University (SJSU)’s group will provide the LLNL team yearly data files (in a format consistent with ARMBE) that contain variables from the instruments defined in Table 1 for the ARM SGP site during the available period. The ARMBE-Land data product will blend multiple ARM observations including the Energy Balance Bowen Ratio Station (EBBR), Soil Water and Temperature System (SWATs) and CO2 Flux (CO2FLX) data sets. The SJSU group will process these datasets with stringent quality controls to remove suspicious data points and average quality-controlled data over a desired temporal resolution (one hour). A qc-flag will be assigned to each variable to indicate how many valid data points are used to get the hourly mean data, consistent with other ARMBE fileds.

54 ENVIRONMENTAL SCIENCES↗

Lawrence Livermore National Laboratory National Emission Standards for Hazardous Air Pollutants (NESHAPs) 2012 Annual Report

Lawrence Livermore National Security, LLC operates facilities at Lawrence Livermore National Laboratory (LLNL) where radionuclides are handled and stored. These facilities are subject to the U.S. Environmental Protection Agency (EPA) National Emission Standards for Hazardous Air Pollutants (NESHAPs) in Code of Federal Regulations (CFR) Title 40, Part 61, Subpart H, which regulates radionuclide emissions to air from Department of Energy (DOE) facilities. Specifically, NESHAPs limits the emission of radionuclides to the ambient air to levels resulting in an annual effective dose equivalent of 10 mrem (100 µSv) to any member of the public. Using measured and calculated emissions, and building-specific and common parameters, LLNL personnel applied the EPA-approved computer code, CAP88-PC, Version 1.0, to calculate the dose to the maximally exposed individual member of the public for the Livermore site and Site 300.

54 ENVIRONMENTAL SCIENCES↗

Simulated PVT Detector Response with Unshielded/Shielded SNM and Mixed Radionuclides

The U.S. Department of Homeland Security (DHS) sponsors a 10 week internship for students majoring in homeland security related science, technology, engineering, and mathematics (HS-STEM) disciplines. As an awardee of the DHS-STEM program, I was given the opportunity to work at Lawrence Livermore National Laboratory (LLNL) under my mentor, Harry Martz. My work at LLNL dealt with official use only or proprietary content. As consequence, I am unable to disclose many project details. Furthermore, the details that I can disclose about the work I performed are limited and I will be using arbitrary units for my results. Throughout the internship period, I met with my mentors and presented my results.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Crystal Williams Summer Internship at Lawrence Livermore National Laboratory: NNSA Essay

Lawrence Livermore National Laboratory (LLNL), established in 1952 by the University of California, is known as a premier research and development institution for science and technology applied to national security. This lab is responsible for ensuring the safety, security and reliability of the nation’s nuclear weapons through the application of advanced Science, Technology, Engineering and Mathematics (STEM). Along with this LLNL also supports various researches that develop new science and technologies to meet future national needs. With that being said I would like to thoroughly explain my amazing summer here at this prestigious lab.

97 MATHEMATICS AND COMPUTING↗

Analyses: Environmental Monitoring Well ER-20-5 #1 Pu data

This report updates the results of Pu measurements of groundwater samples from well ER-20- 5#1 collected on April 26, 2011. These analyses were not completed when the original well report was issued. Pu analytical results for this sample are compiled in Table 1. Laboratory analytical protocols are fully described in the LLNL Standard Operating Procedures written in support of the UGTA Project (LLNL, 2004).

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DHS-STEM Summer Internship Report

Over the course of the last twelve weeks, I have been contributing to efforts in high efficiency solid state thermal neutron detection at Lawrence Livermore National Laboratory (LLNL) as a DHS HS-STEM intern. Reliable, high efficiency solid state thermal neutron detectors are desired to replace conventional 3 He gas filled tube technologies which have fieldability issues due to size, high operating voltage requirements, sensitivity to microphonics, and the recently rapidly diminishing supply of 3 He gas. Under the supervision of Rebecca Nikolić and Qinghui Shao, I have been developing an experimental plan to modify the doping profile of LLNL’s silicon-based pillar structured thermal neutron detector. The overall goal of this work is to reduce the capacitance and leakage current of the Pillar detector to enable the device area to be increased while maintaining a high thermal neutron detection efficiency.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Applying QMU to Nuclear Weapon Stewardship

Quantification of Margins and Uncertainty (QMU) is a principle means and metric by which nuclear weapons performance is measured. At Lawrence Livermore National Laboratory (LLNL), Nuclear weapon QMU is predominately a Physics assessment of the performance margin and associated uncertainties of not achieving the designed nuclear performance. To more completely apply QMU to Nuclear Weapon Stewardship, a Systems Engineering or systematic approach is being employed to identify and define requirements, allowing assessment of performance with QMU. This paper describes the basics of QMU and how it is applied below the highest level nuclear performance function down and throughout the nuclear weapon design architecture. The intended audience for this paper is a novice QMU practitioner at LLNL. The application of QMU to the entire set of nuclear weapon functions demands a broad engagement of Science and Engineering disciplines. Using a hierarchical flow-down requirements structure, performance functions and failure modes are identified for all levels of system requirements. There can be multiple failure modes per functional requirement. For each function there is a spectrum of possible outputs that can vary from outright failure to excellent performance. The possible consequences and impacts on the next higher level functions will also vary. Since performance variations exist in a weapon functional hierarchy, the assessment process needs and benefits from a system perspective. Incorporating QMU into assessments using a Systems Engineering approach to stockpile management provides a means to quantify weapon performance risks against a multitude of possible failure modes and from the highest level functions down to the lowest level component functionality. Performance risk management is a core practice of nuclear weapon management. Assessing the likelihood and consequences of the many possible failure modes is done yearly as part of Annual Assessment Reviews (AAR). When annual surveillance discovers an anomaly defect as part of weapon surveillance, investigations are launched and QMU is a key tool for quantifying performance impacts. QMU assessments are separated into two pieces, failure mode assessments and QMU analysis.

42 ENGINEERING↗

LIFE Reactor Study: Fiscal Year 2013 Contract Report

Sensitivity study of LIFE Chamber dynamics with BUCKY radiation hydrodynamics simulation code: We will continue to model the interaction of ICF target ion and x-ray output with the LIFE reactor cavity and first wall using the BUCKY 1-D radiation hydrodynamics code. We specifically will address the approach to a cyclic steady state condition, blast conditions for the final optics, and the first wall temperature. We will interface BUCKY output with LLNL and UIUC codes for long time analysis of chamber conditions. We will perform sensitivity studies of the chamber as directed by LLNL through varying parameters such as the xenon opacities. Task 1 was accomplished. “Hand off” parameters produced by BUCKY were sent to UIUC for use as the source term in VTF 3-D simulations of the LIFE chamber. A number of parameter sweeps were done with the BUCKY code to see the influence on engineering quantities such as first surface maximum temperature and overpressure.

42 ENGINEERING↗

Summary Report of Ecological Risk Assessment for the Operation of the Explosives Waste Treatment Facility at Site 300 of the Lawrence Livermore National Laboratory.

An ecological risk assessment is required as part of the Resource Recovery and Conservation Act (RCRA) permit renewal process for Miscellaneous Units subject to 22 CCR 66270.23. This risk assessment is prepared in support of the RCRA permit renewal for the Explosives Waste Treatment Facility (EWTF) at Site 300 of the Lawrence Livermore National Laboratory (LLNL). LLNL collected soil samples and used the resulting data to produce a scoping-level ecological risk assessment pursuant to the Department of Toxic Substances Control, Guidance for Ecological Risk Assessment at Hazardous Waste Sites and Permitted Facilities, Part A: Overview, July 4, 1996. The scoping-level ecological risk assessment provides a framework to determine the potential interaction between ecological receptors and chemicals of concern from hazardous waste treatment operations in the area of EWTF. A scoping-level ecological risk assessment includes the step of conducting soil sampling in the area of the treatment units. The Sampling Plan in Support of the Human Health and Ecological Risk Assessment for the Operation of the Explosives Waste Treatment Facility at Site 300 of the Lawrence Livermore National Laboratory, (Terusaki, 2007), outlines the EWTF project-specific soil sampling requirements. Soil samples were obtained and analyzed for constituents from four chemical groups: furans, explosives, semi-volatiles and metals. Analytical results showed that furans, explosives and semi-volatiles were not detected; therefore, no further analysis was conducted. The soil samples did show the presence of metals. Soil samples analyzed for metals were compared to site-wide background levels, which had been developed for site -wide cleanup activities pursuant to the Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA). Total metal concentrations from 28 discrete soil samples obtained in the EWTF area were all below CERCLA-developed background levels. Therefore, following DTSC 1996 guidance, the EWTF hazardous waste treatment units exit the ecological risk evaluation process upon completion of the requirements of a scoping-level assessment report. This summary report documents that the requirements of a scoping-level assessment have been met.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Lawrence Livermore National Laboratory Experimental Test Site, Site 300, Biological Review, January 1, 2009 through December 31, 2012

The Lawrence Livermore National Laboratory’s (LLNL’s) Environmental Restoration Department (ERD) is required to conduct an ecological review at least every five years to ensure that biological and contaminant conditions in areas undergoing remediation have not changed such that existing conditions pose an ecological hazard (Dibley et al. 2009a). This biological review is being prepared by the Natural Resources Team within LLNL’s Environmental Functional Area (EFA) to support the 2013 five-year ecological review.

54 ENVIRONMENTAL SCIENCES↗

National Ignition Facility, High-Energy-Density and Inertial Confinement Fusion, Peer-Review Panel (PRP) Final Report

The National Ignition Facility (NIF) at Lawrence Livermore National Laboratory (LLNL) is operated as a National Nuclear Security Administration (NNSA) user facility in accordance with Department of Energy (DOE) best practices, including peer-reviewed experiments, regular external reviews of performance, and the use of a management structure that facilitates user and stakeholder feedback. NIF facility time is managed using processes similar to those in other DOE science facilities and is tailored to meet the mix of missions and customers that NIF supports. The NIF Governance Plan describes the process for allocating facility time on NIF and for creating the shot schedule. It also includes the flow of responsibility from entity to entity. The plan works to ensure that NIF meets its mission goals using the principles of scientific peer review, including transparency and cooperation among the sponsor, the NIF staff, and the various user communities. The NIF Governance Plan, dated September 28, 2012, was accepted and signed by LLNL Director Parney Albright, NIF Director Ed Moses, and Don Cook and Thomas D’Agostino of NNSA. Figure 1 shows the organizational structure for NIF Governance.

42 ENGINEERING↗