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This slide presentation reviews the effort of code EA at Johnson Space Center (JSC) to identify and acquire databases and documents from the space shuttle program that are adjudged important for retention after the retirement of the space shuttle.
The CMS experiment has been utilizing vectorization, or SIMD, in parts of its data processing applications for over a decade. On x86 platforms the vectorization level is still SSE3. In the past attempts to use wider vector instruction sets such as AVX or AVX-512 have, in practice, not resulted in improvements in the overall event processing throughput, because the CPUs scale down their frequency when processing AVX instructions. In addition, a notable part of the global pool of CMS’ resources has been old systems either not supporting AVX, or where the CPU frequency downscaling impacts all cores of the CPU. CMS has nevertheless continued to vectorize more of its application code, and in this work we review profiling methods we have found effective to find out pieces of code that would benefit from vectorization, and techniques to transform those codes such that the GCC compiler is able to auto-vectorize those codes. The build system used for CMSSW, Scram, has also been enha nced to be able to build code for multiple CPU microarchitectures such that the shared libraries of desired microarchitecture level can be loaded based on the CPU of the system. This multi-microarchitecture setup is invisible to the workflow management system, which makes its deployment straightforward. We describe in detail how this multi-microarchitecture build is set up, and measure the impact of using wider vector units than SSE3 on the event processing throughput of CMS applications such as simulation and reconstruction on recent x86 CPUs.
A program underway at Oak Ridge National Laboratory (ORNL) to support private industry design of a system for production of 99Mo includes review of Zircaloy-4 (Zry-4) properties as a potential material for a primary vessel in the system. Because Zry-4 is not a material specified in the ASME Boiler and Pressure Vessel Code, a review has been performed to obtain the necessary data in the non-irradiated condition from the literature and from additional testing of Zry-4 to enable creation of tables of material properties required for ASME Code Section III Article ND-3000 design. A strategy for an in-vessel surveillance program is also recommended for early detection of potential corrosion and irradiation degradation issues during operational life of the vessel. Additionally, the ASME Code Section II, Part D was reviewed to ascertain the requirements for proposing a new material for Code approval. A plate of Zry-4 procured by ORNL was used to obtain tensile properties that were used as the basis for determining the maximum allowable stresses applicable to the vessel design. The materials properties of primary interest for ASME Code application are tensile properties, fracture toughness, fatigue, and five specific physical properties required by the Code for approval of a new material. The literature review revealed that all reported experimental data showed tensile strengths to substantially exceed the minimum specifications in ASTM B352. Sufficient fracture toughness and fatigue data are available to conclude that Zry-4 has sufficient fracture and fatigue resistance in the unirradiated condition for vessel design and operation. Of the physical properties reviewed, only thermal conductivity revealed a discrepancy that is recommended for further review. A surveillance program plan has been developed that is probably the maximum that would need to be implemented for the specific vessel design considered. Once adequate non-irradiated and irradiated data are available from preproduction testing of the Zry-4 and weld metal and HAZ materials, the program could be reduced to reflect that either initial properties are very good and/or the effects of embrittlement appear to be minimal. However, the overall design of a surveillance program is, of course, also dependent on the ASME Code design class for the pressure vessel.
Modeling and simulation of microstructures are essential to understand the complex responses and behaviors of nuclear materials in extreme environments. The needs to assess the extended life operation as well as the growing interest in accelerating nuclear materials development and qualification have stimulated the use of high-fidelity multiscale models aided by empirical and ab initio data. This paper reviews the role of various models across different length and time scales in investigating irradiation effects on microstructure evolution and degradation, in particular the embrittlement caused by radiation induced or enhanced formation of nanoscale chemical heterogeneities. The strength and limitations of these models, including classical rate theories, cluster dynamics, phase-field methods, and atomistic models informed by ab initio energies, are discussed with seminal examples. Challenges regarding the lack of thermo-kinetic data and theoretical treatments considering chemical complexities and magnetic excitations, as well as the stabilizing effect by excess point defects in nuclear structural materials are presented, along with potential solutions based on ab initio informed surrogate energy models and statistical sampling by Monte Carlo simulations. Further, the review then highlights the opportunities to leverage the advantages of different methods by establishing hybrid models by shared variables or coupled codes and applications. Finally, the review concludes with forward-looking remarks on how the use of physics-based models can aid the improvement of machine-learning models of property degradation and vice versa.
As the model energy codes are improved to reach efficiency levels 50 percent greater than current codes, use of on-site renewable energy generation is likely to become a code requirement. This requirement will be needed because traditional mechanisms for code improvement, including envelope, mechanical and lighting, have been pressed to the end of reasonable limits. Research has been conducted to determine the mechanism for implementing this requirement (Kaufman 2011). Kaufmann et al. determined that the most appropriate way to structure an on-site renewable requirement for commercial buildings is to define the requirement in terms of an installed power density per unit of roof area. This provides a mechanism that is suitable for the installation of photovoltaic (PV) systems on future buildings to offset electricity and reduce the total building energy load. Kaufmann et al. suggested that an appropriate maximum for the requirement in the commercial sector would be 4 W/ft 2 of roof area or 0.5 W/ft 2 of conditioned floor area. As with all code requirements, there must be an alternative compliance path for buildings that may not reasonably meet the renewables requirement. This might include conditions like shading (which makes rooftop PV arrays less effective), unusual architecture, undesirable roof pitch, unsuitable building orientation, or other issues. In the short term, alternative compliance paths including high performance mechanical equipment, dramatic envelope changes, or controls changes may be feasible. These options may be less expensive than many renewable systems, which will require careful balance of energy measures when setting the code requirement levels. As the stringency of the code continues to increase however, efficiency trade-offs will be maximized, requiring alternative compliance options to be focused solely on renewable electricity trade-offs or equivalent programs. One alternate compliance path includes purchase of Renewable Energy Credits (RECs). Each REC represents a specified amount of renewable electricity production and provides an offset of environmental externalities associated with non-renewable electricity production. The purpose of this paper is to explore the possible issues with RECs and comparable alternative compliance options. Existing codes have been examined to determine energy equivalence between the energy generation requirement and the RECs alternative over the life of the building. The price equivalence of the requirement and the alternative are determined to consider the economic drivers for a market decision. This research includes case studies that review how the few existing codes have incorporated RECs and some of the issues inherent with REC markets. Section 1 of the report reviews compliance options including RECs, green energy purchase programs, shared solar agreements and leases, and other options. Section 2 provides detailed case studies on codes that include RECs and community based alternative compliance methods. The methods the existing code requirements structure alternative compliance options like RECs are the focus of the case studies. Section 3 explores the possible structure of the renewable energy generation requirement in the context of energy and price equivalence. The price of RECs have shown high variation by market and over time which makes it critical to for code language to be updated frequently for a renewable energy generation requirement or the requirement will not remain price-equivalent over time. Section 4 of the report provides a maximum case estimate for impact to the PV market and the REC market based on the Kaufmann et al. proposed requirement levels. If all new buildings in the commercial sector complied with the requirement to install rooftop PV arrays, nearly 4,700 MW of solar would be installed in 2012, a major increase from EIA estimates of 640 MW of solar generation capacity installed in 2009. The residential sector could contribute roughly an additional 2,300 MW based on the same code requirement levels of 4 W/ft 2 of roof area. Section 5 of the report provides a basic framework for draft code language recommendations based on the analysis of the alternative compliance levels.
Building codes represent standard design practice in the construction industry and must continually evolve to account for advancing technologies and innovative practices. Energy codes have historically focused on energy efficiency within buildings and across their systems. However, many of tomorrow's technologies go beyond efficiency and target increased flexibility. These demand flexibility (DF) measures can postpone or reduce building electric load based on price or other grid signals, and include smart appliances, connected lighting, and connected mechanical systems. Expanding codes to enable such grid-interactive efficient building (GEB) has the potential to influence their realization at scale, which will support renewable-energy grid-integration and building-sector decarbonization. However, considering DF measures in code development creates a new set of challenges for codes and the practices contained therein. This paper considers the role of building energy codes in enabling GEB. Specifically, it reviews the status of demand flexibility (DF) measures in current commercial building energy code. It examines the national model code development process and identifies components barring the consideration and inclusion of DF measures - including code scope, characterization and analysis of proposed new prescriptive measures, and accounting for time-of-day and geographic differences in their benefits. The paper presents findings from code development analyses that indicate the cost benefit of DF measures and the limitations associated with current code development conventions. To encourage building flexibility and improved energy resilience moving forward, recommendations are made for removing code development barriers and sanctioning DF measure consideration in future model codes.
Specialized computational chemistry packages have permanently reshaped the landscape of chemical sciences by providing tools to support and guide the experimental effort and for prediction of chemical and materials properties. In this regard, a special role has been played by electronic structure packages where complex chemical and materials processes can be modeled using first-principle-driven methodologies. Over the last few decades, the rapid development of computing technologies and a tremendous increase in computational power has offered a unique chance to study complex chemical transformations using sophisticated and predictive many-body techniques to describe correlated behavior of electrons in molecular and condensed phase systems at different levels of theory. In enabling these simulations, a critical role has been played by novel parallel algorithms capable of taking advantage of computational resources to address polynomial scaling of electronic structure methods. NWChem was among the first electronic structure codes that focused on delivering scalable performance for electronic structure simulations. Herein, we briefly review the NWChem suite of computational codes including its history, design principles, parallel tools, current capabilities, outreach and outlook.
This report presents different methods, codes, and theories used in calculating complex atoms.
This is the code used for the Bell-Dereske et al.
This report presents the results of a study to implement convergence acceleration techniques based on the multigrid concept in the two-dimensional and three-dimensional versions of the Proteus computer code. The first section presents a review of the relevant literature on the implementation of the multigrid methods in computer codes for compressible flow analysis. The next two sections present detailed stability analysis of numerical schemes for solving the Euler and Navier-Stokes equations, based on conventional von Neumann analysis and the bi-grid analysis, respectively. The next section presents details of the computational method used in the Proteus computer code. Finally, the multigrid implementation and applications to several two-dimensional and three-dimensional test problems are presented. The results of the present study show that the multigrid method always leads to a reduction in the number of iterations (or time steps) required for convergence. However, there is an overhead associated with the use of multigrid acceleration. The overhead is higher in 2-D problems than in 3-D problems, thus overall multigrid savings in CPU time are in general better in the latter. Savings of about 40-50 percent are typical in 3-D problems, but they are about 20-30 percent in large 2-D problems. The present multigrid method is applicable to steady-state problems and is therefore ineffective in problems with inherently unstable solutions.
The U.S. Department of Energy (DOE) supports the development of commercial building energy codes and standards by participating in industry review, update processes, and providing technical analyses to support both published model codes and potential changes. DOE publishes its findings to ensure transparency in its support, and to make its analysis available for both public review and use. In conjunction with this effort, DOE’s flagship building energy model (BEM) tools consist of the open-source EnergyPlus simulation engine and OpenStudio. These tools allow a user to modify a building, estimate energy use, and new releases are typically downloaded by over 20,000 users.
This is a small kernel that was used to collect data for an upcoming paper. We would like to have the code be open source so that the reviewers (and then readers) of the paper can see the whole code, and can reproduce/verify our results. This is not a fully featured application, it cannot produce any useful simulation results, it just executes a small abstracted kernel using synthetic data. The purpose of the kernel is to understand the basic performance characteristics of an HPC kernel on novel AI accelerator architectures. The main kernel is written in the CSL coding language for use with the Cerebras WSE-2 AI accelerator. The kernel represented is the Monte Carlo cross section lookup kernel, which is a small kernel used by the Monte Carlo neutral particle transport algorithm. There is also a baseline kernel written in CUDA that we will include in the repository to form a basis for comparing the WSE-2 to GPU.
This L2 milestone is a multifaceted review of DevOps practices across Weapon Simulation and Computing/Computational Physics (WSC/CP) Program, which includes Weapons, ICF, and Engineering simulation codes and supporting libraries. It complements the FY22 Spack/MARBL L2: Advanced Simulation and Computing (ASC) L2 Milestone 7904, “Workflow Portability Across Cloud Services”. The overall goal is to develop a path forward for improving DevOps practices in WSC/CP which will increase developer productivity, improve software quality, and speed up our ability to deliver capabilities to end users.
In many residential building retrofit programs, air tightening to increase energy efficiency is constrained by concerns about related impacts on the safety of naturally vented combustion appliances. Tighter housing units more readily depressurize when exhaust equipment is operated, making combustion appliances more prone to backdraft or spillage. Several test methods purportedly assess the potential for depressurization-induced backdrafting and spillage, but these tests are not robustly reliable and repeatable predictors of venting performance, in part because they do not fully capture weather effects on venting performance. The purpose of this literature review is to investigate combustion safety diagnostics in existing codes, standards, and guidelines related to combustion appliances. This review summarizes existing combustion safety test methods, evaluations of these test methods, and also discusses research related to wind effects and the simulation of vent system performance. Current codes and standards related to combustion appliance installation provide little information on assessing backdrafting or spillage potential. A substantial amount of research has been conducted to assess combustion appliance backdrafting and spillage test methods, but primarily focuses on comparing short-term (stress) induced tests and monitoring results. Monitoring, typically performed over one week, indicated that combinations of environmental and house operation characteristics most conducive to combustion spillage were rare. Research, to an extent, has assessed existing combustion safety diagnostics for house depressurization, but the objectives of the diagnostics, both stress and monitoring, are not clearly defined. More research is also needed to quantify the frequency of test “failure” occurrence throughout the building stock and assess the statistical effects of weather (especially wind) on house depressurization and in turn on combustion appliance venting. Incorporating weather variations and house ventilation system characteristics in existing simulation software may assist such analyses and with developing a more reliable diagnostic for use on-site.
Rotary-wing computational fluid dynamics is reaching a point where many three-dimensional, unsteady, finite-difference codes are becoming available. This paper gives a brief review of five such codes, which treat the small disturbance, conservative and nonconservative full-potential, and Euler flow models. A discussion of the methods of applying these codes to the rotor environment (including wake and trim considerations) is followed by a comparison with various available data. These data include tests of advancing lifting and nonlifting, and hovering model rotors with significant supercritical flow regions. The codes are also compared for computational efficiency.
The U.S. Department of Energy supports the development of commercial building energy codes and standards by participating in industry reviews, update processes, and providing technical analyses to support both published model codes and potential changes. In support of ANSI/ASHRAE/IES Standard 90.1 and the International Energy Conservation Code, 16 commercial prototype building models were developed that cover 80% of the commercial building floor area in the United States for new construction, including both commercial buildings and mid- to high-rise residential buildings, across all U.S. climate zones. However, the current set of commercial prototype building models does not include a supermarket building type, which is one of major building types defined in the Energy Information Administration’s Commercial Building Energy Consumption Survey. As part of an ongoing effort to expand the current Commercial Building Prototype Model suite, this paper presents the procedure used to develop the prototype supermarket building model based on multiple studies as well as a previously developed reference building model. The final set of prototype models includes 68 models for different vintages of ASHRAE Standard 90.1 (i.e., 2004, 2007, 2010, and 2013) and for 17 ASHRAE climate zones.
The U.S. Department of Energy supports the development of commercial building energy codes and standards by participating in industry reviews, update processes, and providing technical analyses to support both published model codes and potential changes. In support of ANSI/ASHRAE/IES Standard 90.1 and the International Energy Conservation Code, 16 commercial prototype building models were developed that cover 80% of the commercial building floor area in the United States for new construction, including both commercial buildings and mid- to high-rise residential buildings, across all U.S. climate zones. However, the current set of commercial prototype building models does not include a supermarket building type, which is one of major building types defined in the Energy Information Administration’s Commercial Building Energy Consumption Survey. As part of an ongoing effort to expand the current Commercial Building Prototype Model suite, this report presents the procedure used to develop the prototype supermarket building model based on multiple studies as well as a previously developed reference building model. The final set of prototype models includes 60 models for different vintages of ASHRAE Standard 90.1 (i.e., 2004, 2007, 2010, and 2013) and for 15 ASHRAE climate zones.
The U.S. Department of Energy supports the development of commercial building energy codes and standards by participating in industry review, update processes, and providing technical analyses to support both published model codes and potential changes. In support of ANSI/ASHRAE/IES Standard 90.1 and International Energy Conservation Code, 16 commercial prototype building models were developed that cover 80% of the commercial building floor area in the United States for new construction, including both commercial buildings and mid- to high-rise residential buildings, across all U.S. climate zones. Of these, the small, medium, and large office buildings take about 12% of total commercial building floor area.Currently, small, medium, and large office prototype building models have simplified, single space type, while other building types includes more detailed space types. As such, the office prototype could not be easily used to properly assess changes (i.e. measures applied) to difference spaces commonly found in an office. This work has added new space types to the small and medium office, with properties based on several vintages of ASHRAE Standard 90.1 in different climate zones, and compared energy use of these newly-improved models with that of the original models.