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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Slide deck assesses a portfolio of EVs, EVSEs, and Fleets that are expected to utilize High Power Charging (>200kW) to understand charging rates, grid impacts, and asset utilization. Provide DOE, project partners, stakeholders, and the public with analysis on the capability of HPC performance of today's charging infrastructure.
The HPC Challenge (HPCC) benchmark suite and the Intel MPI Benchmark (IMB) are used to compare and evaluate the combined performance of processor, memory subsystem and interconnect fabric of five leading supercomputers - SGI Altix BX2, Cray XI, Cray Opteron Cluster, Dell Xeon cluster, and NEC SX-8. These five systems use five different networks (SGI NUMALINK4, Cray network, Myrinet, InfiniBand, and NEC IXS). The complete set of HPCC benchmarks are run on each of these systems. Additionally, we present Intel MPI Benchmarks (IMB) results to study the performance of 11 MPI communication functions on these systems.
As part of the NASA Integrated Systems Research Program (ISRP), Environmentally Responsible Aviation (ERA) Project, NASA GRC and GE Aviation have partnered to investigate the technology barriers associated with improved fuel economy of large gas turbine engines. Crucial to improving fuel economy is the increase in pressure ratio (PR) of the core high pressure compressor (HPC). A key enabler to increasing HPC pressure ratios are new technology front stage airfoil designs that have higher efficiency, higher pressure ratios and improvements in front stage part-power operability. The purpose of this work is to design and test two high pressure ratio, high efficiency front block designs. The baseline design, hereafter referred to as Build 1, is similar to what would be found in a high efficiency 30:1 PR class HPC. A redesigned front block with improved blading will also be tested and hereafter be referred to as Build 2. The goal of Build 2 is to increase stage aero loading (increase stage pressure ratio) beyond Build 1 while maintaining equivalent efficiency and stall margin. The detailed inter-stage and traverse data from the two builds will be used to improve understanding of the complex flow physics at high-speed and part-speed conditions that impact performance and operability. By addressing, understanding and solving the challenges associated with aerodynamic losses and stage matching better design strategies can be incorporated in future core compressors with higher efficiency, thereby enabling improvement in mission fuel burn while still meeting operability requirements.
The Exascale Computing Project (ECP) Software Technology (ST) focus area is responsible for (1) developing critical software capabilities that will enable the successful execution of ECP applications and (2) providing key components of a productive and sustainable exascale computing ecosystem that will position the US Department of Energy (DOE) and the broader high-performance computing (HPC) community with a firm foundation for future extreme-scale computing capabilities. This ECP ST Capability Assessment Report (CAR) provides an overview and assessment of current ECP ST capabilities and activities, giving stakeholders and the broader HPC community information that can be used to assess ECP ST progress and plan their own efforts accordingly. ECP ST leaders commit to updating this document on regular basis (every 6–12 months). Highlights from this version of the report are presented here. This version of the CAR contains the following updates relative to the previous revision: (1) This report highlights the progress with the Extreme-scale Scientific Software Stack (E4S) efforts. In particular, this report discusses how E4S continues to gain traction as a first-class entity in the HPC ecosystem, enabling new conversations with users, facilities, vendors, other US agencies, and international partners. (2) The several-page summaries of each ECP Level 4 project were updated to reflect recent progress and next steps (Section 4). Of particular note are the experiences of our teams on early-access systems for Frontier. (3) The E4S is described further. E4S is now updated via quarterly releases. E4S is the primary integration and delivery vehicle for ECP ST capabilities (Section 2.1.1). (4) The ECP ST software development kit (SDK) effort further refined its groupings (Section 2.1.2). The ECP ST focus area represents the key bridge between exascale systems and the scientists developing applications that will run on those platforms. ECP ST efforts contribute to approximately 70 software products (Section 2.1.3) in six technical areas (Table 1). Since publishing the previous revision of the CAR, the team has continued to evolve the product dictionary of official product names, which enables more rigorous mapping of ECP ST deliverables to stakeholders (Section 2.1.4).
Dilute combustion with exhaust gas recirculation (EGR) in spark-ignition engines presents a cost-effective method for achieving higher levels of engine efficiency. At high levels of EGR, however, cycle-to-cycle variability (CCV) of the combustion process is exacerbated by sporadic occurrences of misfires and partial burns. Previous studies have shown that temporal deterministic patterns emerge at such conditions and certain combustion cycles have a significant influence over future events. Due to the complexity of the combustion process and the nature of CCV, harnessing all the deterministic information for control purposes has remained challenging even with physics based 0-D, 1-D, and high-fidelity computational fluid dynamics (CFD) models. In this study, we present a data-driven approach to optimize the combustion process by controlling CCV adjusting the cycle-to-cycle fuel injection quantity. Readily available data from in-cylinder pressure was used to train a spiking neural network (SNN) which learns the optimal way to manage fuel injection in order to reduce CCV while maintaining acceptable levels of fuel consumption. SNNs are particularly well suited for powertrain control applications due to their ability to be deployed on FPGA-based neuromorphic hardware which are small, inexpensive, and have a low power demand. The high-performance computing (HPC) resources of Oak Ridge National Laboratory were used to run an evolutionary-based training approach for choosing the best SNN configuration that minimizes the size of the network while achieving the desired goal. The neuromorphic hardware with the optimized SNN deployed was connected to the rapid prototyping engine control system for real-time control implementation and tested on a single cylinder version of a GM LNF 4-cylinder engine. The results show a significant reduction of CCV with a small percentage of additional fuel used to stabilize the charge.
Summary: Job Profiles and Expectations provide important insights into workloads (Job Profile: window into how a job is running; Job Expectation: Is that job behaving as expected; Provides us with actionable information). Machine learning can be used to group job runs into workload types (Identified groups can then be used for generate expectations); Profiles and Expectations also enable the study of: System-wide events, tracking system changes; System resource utilization and scheduling; Marking log data for further investigation or failures/anomalies.
Long timescale Molecular Dynamics (MD) simulation of small molecules is crucial in drug design and basic science. To accelerate a small data set that is executed for a large number of iterations, high-efficiency is required. Recent work in this domain has demonstrated that among COTS devices only FPGA-centric clusters can scale beyond a few processors. The problem addressed here is that, as the number of on-chip processors has increased from fewer than 10 into the hundreds, previous intra-chip routing solutions are no longer viable. We find, however, that through various design innovations, high efficiency can be maintained. These include replacing the previous broadcast networks with ring-routing and then augmenting the rings with out-of-order and caching mechanisms. Others are adding a level of hierarchical filtering and memory recycling. Two novel optimized architectures emerge, together with a number of variations. These are validated, analyzed, and evaluated. We find that in the domain of interest speed-ups over GPUs are achieved. Finally, the potential impact is that this system promises to be the basis for scalable long timescale MD with commodity clusters.
The Hewlett Packard Enterprise–Cray EX Frontier is the world’s first and fastest exascale supercomputer, hosted at the Oak Ridge Leadership Computing Facility in Tennessee, United States. Frontier is a significant electricity consumer, drawing 8–30 MW; this massive energy demand produces significant waste heat, requiring extensive cooling measures. Although harnessing this waste heat for campus heating is a sustainability goal at Oak Ridge National Laboratory (ORNL), the 30 °C–38 °C waste heat temperature poses compatibility issues with standard HVAC systems. Heat pump systems, prevalent in residential settings and some industries, can efficiently upgrade low-quality heat to usable energy for buildings. Thus, heat pump technology powered by renewable electricity offers an efficient, cost-effective solution for substantial waste heat recovery. However, a major challenge is the absence of benchmark data on high-performance computing (HPC) heat generation and waste heat profiles. This paper reports power demand and waste heat measurements from an ORNL HPC data centre, aiming to guide future research on optimizing waste heat recovery in large-scale data centres, especially those of HPC calibre.
The prompt reconstruction of the data recorded from the Large Hadron Collider (LHC) detectors has always been addressed by dedicated resources at the CERN Tier-0. Such workloads come in spikes due to the nature of the operation of the accelerator and in special high load occasions experiments have commissioned methods to distribute (spill-over) a fraction of the load to sites outside CERN. The present work demonstrates a new way of supporting the Tier-0 environment by provisioning resources elastically for such spilled-over workflows onto the Piz Daint Supercomputer at CSCS. Furthermore, this is implemented using containers, tuning the existing batch scheduler and reinforcing the scratch file system, while still using standard Grid middleware. ATLAS, CMS and CSCS have jointly run selected prompt data reconstruction on up to several thousand cores on Piz Daint into a shared environment, thereby probing the viability of the CSCS high performance computer site as on demand extension of the CERN Tier-0, which could play a role in addressing the future LHC computing challenges for the high luminosity LHC.
This paper presents the development of a hardware testbed for DC-distributed high-power charging (HPC) stations. As DC distributed solutions emerge as a viable solution to optimize HPC site operations, challenges such as interoperability, protection, and seamless integration of distributed energy resources (DER) persist. These issues underscore the need for a robust testing facility to investigate compliance of available commercial off-the-shelf (COTS) market devices. The developed testbed features a DC-distributed charging hub including a charger, emulated energy storage system (ESS), and site level communication and controller implementation. It facilitates the testing of COTS hardware, charger prototypes, standards validation and site energy management system (SEMS) controllers at rated power. This paper details the development of the charging infrastructure platform, implementation of communication system, validation of different SEMS algorithms, and understanding improvements required for future expansion. Using the developed testbed, interoperability gaps for SEMS implementation with multi-vehicle concurrent charging via a multi-port charger are experimentally observed. Aimed at supporting the transition to large-scale EV charging infrastructure deployment and DER integration, this testbed plays a crucial role in conformity testing of COTS device interoperability.
Electron microscopy (EM) is a cornerstone technique in the materials and biological sciences capable of imaging structures at nano- to atomic-scale resolution. Advances in technologies mean that one acquires datasets at increasing data rates and sizes. These advancements present enormous opportunities for researchers to understand complex systems. However, processing the resulting large-scale, complex data in a reproducible and shareable way is a real challenge for researchers. The building, managing, and maintaining complex workflows in a reproducible manner requires extensive knowledge in several areas outside the researchers’ core skill sets, such as software engineering, data science, and high-performance computing (HPC). Our work demonstrates an innovative approach to solving these problems, enabling reproducible EM data analysis through container encapsulated pipelines. Using modern container technologies, we encapsulate processing elements and connect them using shared memory. We expose user-friendly, advanced algorithms and tools to allow end users to utilize without expert programming skills. The platform enables reproducible, scalable, shareable pipelines for the analysis and visualization of EM data. Focusing on interoperability, we leverage the DOE and other agencies’ existing investments to provide a powerful software platform for EM data analysis.
The past three decades have witnessed the widespread adoption of high-performance computing (HPC) as an essential tool in the advancement of science. From accelerating critical research in the wake of a global pandemic to climate modelling and national security, HPC has become integral to the most cutting-edge scientific research around the world and across application domains. The global competition to debut the next fastest supercomputer keeps pushing the field forward. Meanwhile, increasing capabilities are bringing hallmarks of science fiction, such as artificial intelligence (AI), into daily life. However, the tremendous power of new computing systems comes with an increased concern about equitable access to these resources and their impact on supporting a thriving workforce.
In this project, ORNL extensively reviewed the ORAP RAM data, and it guided us to develop machine learning models that can predict time to next failures and forecast failure trends, which will be useful for optimizing power plant operation strategies. More specifically, we trained multiple random forest models and evaluated the model accuracy to validate with 10+ years of historical data. In addition, we implemented a web-based graphical user interface system for the models to show how our models can be used in more intuitive ways. This proof of concept allowed exploration of model use with power plant operators in mind. Developed machine learning models will be helpful for managing risks, planning maintenance and operation, ultimately reducing the down time and increasing the service hours. For future work, there are several interesting research topics including but not limited to model enhancement, creating synergy with traditional failure modeling approaches, and data-driven actionable recommendation and suggestions.
Wind power has become a key player in satisfying the global energy needs. With increased market penetration, unanticipated unsteady loading induced failures, installation related reductions in power generation, and significant maintenance costs have underscored the need to predict the unsteady fluid-structure interactions related to turbine layout and off-design wind conditions. Contemporary turbine design tools are incapable of accounting for such loadings. As a result, researchers have started utilizing high-Performance-Computing (HPC) based Computational Fluid Dynamics (CFD) solvers, such as the U.S. Department of Energy sponsored ExaWind software package, to investigate these phenomena. Unfortunately, such HPC tools are computationally expensive for routine industrial use, often because of the sheer number of cells required to resolve the wake flowfield. This paper describes a preliminary effort to address this issue by developing a vorticity-velocity based CFD off-body solver, VorTran-M2-AMReX, that integrates directly with DOE's ExaWind wind turbine analysis system to perform accurate and reliable simulations of wind turbine/farm at a lower computational cost than ExaWind alone. This article summarizes work undertaken to date concerning the assembly of the proposed analysis tool, and provides preliminary validation and verification of the VorTran-M2-AMReX off-body solver.
This paper presents preliminary ice-crystal icing (ICI) altitude scaling evaluation results of a Honeywell Uncertified Research Engine (HURE) that was tested in the NASA Glenn Research Center Propulsion Systems Laboratory (PSL) during January of 2018. This engine geometry features a hidden core design to keep the core less exposed. The engine was fitted with internal video cameras to observe various ice buildup processes at multiple selected locations within the engine core flow path covering the fan stator, the splitter-lip/shroud/strut, and the high pressure compressor (HPC) variable inlet guide vane (IGV) regions. The potential ice accretion risk was pre-determined to occur by using NASA’s in-house 1D Engine Icing Risk assessment code, COMDES-MELT. The code was successful in predicting the risk of ice accretion in adiabatic regions like the fan-stator of the HURE at specific engine operating points. However at several operating points during the test, liquid water was observed running along the shroud toward the variable IGV of the HPC regions with an air temperature well below freezing, thus no particle melting could have occurred due to heating from the air alone. It was reasoned that other sources of heat were present in that region. To account for these heat sources the inlet total temperature was adjusted to give a wet bulb temperature of 24 F below the standard minimum wet bulb temperature of 492 R to allow ice to accrete in the splitter-lip/shroud/strut region, which was determined from a reference case where hard ice was observed in that region. With that adjustment the COMDES-MELT code was successful in providing operating points where there was a risk of ice accretion during the test campaign. In addition to calculating possible conditions at different selected lower altitudes, simulations were run to determine potential inlet conditions that could lead to ice-crystal accretion along the prescribed stations where the cameras were available. From there, scaled test conditions were determined by best matching the following three icing related parameters of the reference condition: (1) the local air total wet bulb temperature, (2) the local ice crystal cloud melt ratio and (3) the engine fan face ice/water to air mass flux ratio of the ice crystal cloud. Instantaneous images taken from the time-lapsed movies of ice buildup were used along with the relevant thermodynamic data of air, water vapor and local icing condition to help evaluate how closely the proposed altitude scaling method could be used in ground based test facility to duplicate selected reference ICI features observed at specific location inside this engine at different scale altitudes. Discussions on observed limitation for engine icing scaling application from this test campaign and needed improvement are provided. A scaling test procedure to help identify potential ICI risk conditions and possible ice accretion locations of a new turbofan engine is evaluated in PSL.
This submission contains the source code of the Hydrothermal Finite Element Simulator used for the Treasure Island and UC Berkeley campus geothermal simulation. It contains a report that summarizes the development and validation of this Hydrothermal Finite Element Simulator, with a case study on Treasure Island site. It also contains a report that investigates the feasibility of upgrading the existing campus energy delivery system at UC Berkeley to a fifth-generation district heating and cooling system that includes geothermal heat/cold storage.
Recent advances in cryo-electron microscopy (cryo-EM) have enabled modeling macromolecular complexes that are essential components of the cellular machinery. The density maps derived from cryo-EM experiments are often integrated with manual, knowledge or artificial intelligence driven, and physics-guided computational methods to build, fit, and refine molecular structures. Going beyond a single stationary- structure determination scheme, it is becoming more common to interpret the experimental data with an ensemble of models, which contributes to an average observation. Hence, there is a need to decide on the quality of an ensemble of protein structures on-the-fly, while refining them against the density maps. Here, we introduce such an adaptive decision making scheme during the molecular dynamics flexible fitting (MDFF) of biomolecules. Using RADICAL-Cybertools, and the new RADICAL augmented MDFF implementation (R-MDFF) is examined in high-performance computing environments for refinement of two protein systems, Adenylate Kinase and Carbon Monoxide Dehydrogenase. For the test cases, use of multiple replicas in flexible fitting with adaptive decision making in R-MDFF improves the overall correlation to the density by 40% relative to the refinements of the brute-force MDFF. The improvements are particularly significant at high, 2 - 3 Å, map resolutions. More importantly, the ensemble model captures key features of biologically relevant molecular dynamics that is inaccessible to a single-model interpretation. Finally, the pipeline is applicable to systems of growing sizes, which is demonstrated using ensemble refinement of capsid proteins from Chimpanzee adenovirus. The overhead for decision making remaining low and robust to computing environments. The software is publicly available on GitHub and includes a short user guide to install the R-MDFF on different computing environments, from local Linux based workstations to High Performance Computing (HPC) environments.
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