Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “performance contracting”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
NASA NTRS2002

Rapid Spacecraft Development: Results and Lessons Learned

The Rapid Spacecraft Development Office (RSDO) at NASA's Goddard Space Flight Center is responsible for the management and direction of a dynamic and versatile program for the definition, competition, and acquisition of multiple indefinite delivery and indefinite quantity contracts - resulting in a catalog of spacecraft buses. Five spacecraft delivery orders have been placed by the RSDO and one spacecraft has been launched. Numerous concept and design studies have been performed, most with the intent of leading to a future spacecraft acquisition. A collection of results and lessons learned is recorded to highlight management techniques, methods and processes employed in the conduct of spacecraft acquisition. Topics include working relationships under fixed price delivery orders, price and value, risk management, contingency reserves, and information restrictions.

Watson, William A.↗
NASA NTRS2007

An Operational Land Imager for the Landsat Data Continuity Mission

The National Aeronautics and Space Administration (NASA) released a request for proposals (RFP) on January 09, 2007 for an Operational Land Imager (OLI). The RFP specified the OLI as the principal sensor for the Landsat Data Continuity Mission (LDCM), the successor mission to Landsat 7. The RFP provides requirements for OLI performance, special calibration tests, and mission assurance without specifying a particular technical design. The performance specifications derive from the heritage and societal benefits of data from the previous Landsat satellites, the high standards set by the performance of the Landsat 7 Enhanced Thematic Mapper-Plus, direction from the Executive Office of the President, cognizance of current technology, and an eye to the future of land remote sensing beyond the LDCM. The specification includes nine spectral bands (four visible, one near infrared, three shortwave infrared, and one panchromatic band), spatial resolution of 30 m with the exception of a 15 m panchromatic resolution, stringent radiometric performance and absolute calibration, and accurate image geolocation with precise band-to-band and multitemporal image-to-image registration. Proposals were due on February 23, 2007 with selection and contract award anticipated by June 2007. The RFP requires delivery of a well-characterized instrument for spacecraft integration within 39 months of contract award. This schedule leads to a target LDCM launch date of July, 2011.

Irons, James R.↗
NASA NTRS2018

Dynamic Power Convertor Development for Radioisotope Power Systems at NASA GRC

The Thermal Energy Conversion Branch at NASA Glenn Research Center (GRC) is supporting the development of high-efficiency power convertors in support of Radioisotope Power System (RPS) development. Significant progress was made towards such a system that utilized Stirling conversion machines during the 2001 to 2015 timeframe. Flight development of the Advanced Stirling Radioisotope Generator (ASRG) was cancelled in 2013 by the Department of Energy (DOE) and NASA Headquarters primarily due to budget constraints, and the Advanced Stirling Convertor (ASC) technology contract was subsequently concluded in 2015. A new chapter of technology development has recently been initiated by the NASA RPS Program. This new effort is considering all dynamic power convertor options, such as Stirling and Brayton cycles. Four convertor development contracts supporting this effort were awarded in 2017. The awarded contracts include two free-piston Stirling, one thermoacoustic Stirling, and one turbo-Brayton designs. The technology development contracts each consist of up to three phases: Design, Fabricate, and Test. As of May 2018, all contracts have completed the Design Phase, and each underwent a design review with an independent review board. Two of the contracts have been awarded the Phase 2 option for fabrication. Convertors manifesting from these development efforts will then undergo independent validation and verification at NASA facilities, which will consist of convertor performance and RPS viability demonstrations. Example tests include launch vibration simulation, performance mapping over the environmental temperature range, and static acceleration exposure. In parallel with this renewed development effort, NASA GRC is still demonstrating free-piston Stirling convertor technology using assets from previous projects. The Stirling Research Laboratory (SRL) is still operating 10 convertors from previous development projects. Four of which are flexure-bearing based, and the other six are gas-bearing based. One of the flexure-bearing convertors has accumulated over 110,000 hours of operation, and holds the current maintenance-free heat-engine run-time record. Another flexure-bearing convertor was recently manually shutdown after 105,620 hours of operation, then disassembled and inspected. This inspection produced a wealth of information about the effects of this amount of runtime on the technology's components. One of the engineering unit flexure-bearing convertors recently underwent launch simulation vibration test, a static acceleration exposure up to 20 g, and was then placed on extended operation. Amongst the gas-bearing convertors, the longest running unit has accumulated over 70,000 hours of operation. Four high-fidelity gas-bearing convertors from the ASRG project are still operating continuously, for which the longest runtime has reached 26,000 hours.

Oriti, Salvatore↗
NASA NTRS2022

Un-Numbered Operational Areas PRL 229 Railroad Tie Disposal Area Pond Confirmation Sampling Report

This Confirmatory Sampling (CS) Report (CSR) was prepared for the National Aeronautics and Space Administration (NASA), Kennedy Space Center (KSC), Florida in accordance with the CS Work Plan (CSWP) (HGL, 2022a). The CSR summarizes investigation activities performed on the Railroad Tie Disposal Area (RTDA) of the Un-Numbered Operational Areas (UNOA), Potential Release Location (PRL) 229 located at KSC. HydroGeoLogic, Inc. (HGL) prepared this report under Contract Number 80KSC019D0012. The purpose of the CSR is to provide information to evaluate the level of potential contamination in surface water and sediment samples collected from the RTDA PRL 229 Pond and determine if contaminants pose unacceptable risks to ecological receptors. The CSR provides analytical data of 10 sets of surface water and sediment samples collected in 2021. Surface water samples were analyzed for volatile organic compounds (VOCs), semi-volatile organic compounds (SVOCs), polynuclear aromatic hydrocarbon (PAHs), metals, hardness, and salinity, while sediment samples were analyzed for metals, total organic carbon (TOC), SVOCs, PAHs, and total petroleum hydrocarbons (TPH). The CSR includes a Screening Level Ecological Risk Assessment (SLERA) conducted under KSC’s Resource Conservation and Recovery Act (RCRA) Corrective Action Program to determine if unacceptable risks to ecological receptors exist at PRL 229 Pond. Metals and PAHs were detected in surface water samples, including detections of antimony, arsenic, barium, calcium, copper, lead, magnesium, thallium, zinc, anthracene, benzo(a)anthracene, benzo(a)pyrene, benzo(b)fluoranthene, benzo(g,h,i)perylene, benzo(k)fluoranthene, chrysene, dibenzo(a,h)anthracene, fluoranthene, indeno(1,2,3-c,d)pyrene and pyrene. Based on measured salinity (1.03 to 1.21 parts per thousand), the pond was identified as freshwater. Sediment analytical results also contained detections of metals and PAHs, including antimony, arsenic, barium, beryllium, cadmium, chromium, copper, lead, mercury, nickel, selenium, thallium, zinc, anthracene benzo(a)anthracene, benzo(a)pyrene, benzo(b)fluoranthene, benzo(g,h,i)perylene, benzo(k)fluoranthene, chrysene, dibenzo(a,h)anthracene, fluoranthene, indeno(1,2,3-c,d)pyrene and pyrene. Potential risks to ecological receptors were evaluated in accordance with the SLERA Work Plan and the Decision Process Document for the Resource Conservation and Recovery Act (RCRA) Corrective Action Program at KSC (DPD) (Geosyntec, 2019), and using the 2021 sediment and surface water analytical results. Potential ecological receptors evaluated in the SLERA include the aquatic community, benthic invertebrates, aquatic birds, and aquatic mammals. The SLERA included Steps 2a through 2c of the Ecological Risk Assessment (ERA) process in accordance with the DPD. Using multiple lines of evidence, the SLERA concluded that many of the detected analytes are present at concentrations similar to those in background or reference locations at KSC, and/or at concentrations that would not pose a significant risk to ecological communities. There are no screening values available for the avian community, and PAHs are bioaccumulative compounds. For this reason, food web modeling was completed as a supplement to Step 2c to provide a quantitative evaluation of this exposure pathway. Food web modeling indicates that PAHs are unlikely to pose a risk to birds exposed to site sediment and surface water. Based on the results of the SLERA, the contaminants in sediment and surface water pose no to minimal risk to the ecological communities that could live or forage at the site. Based on the results of the SLERA, no further study is recommended for the RTDA Pond at PRL 229.

Confirmation Sampling↗
NASA NTRS2012

Hexavalent Chrome Free Coatings for Electronics Applications: Joint Test Report

Regardless of the corrosivity of the environment, all metals require periodic maintenance activity to guard against the insidious effects of corrosion and thus ensure that alloys meet or exceed design or performance life. The standard practice for protecting metallic substrates is the application of a coating system. Applied coating systems work via a variety of methods (barrier, galvanic, and/or inhibitor) and adhere to the substrate through a combination of chemical and physical bonds. For years hexavalent chromium has been a widely used element within applied coating systems because of its self healing and corrosion resistant properties. Occupational Safety and Health Administration (OSHA) studies have concluded that hexavalent chromium (hex chrome) is carcinogenic and poses significant risk to human health. On May 5, 2011 amendments to the Defense Federal Acquisition Regulation Supplement (DFARS) were issued in the Federal Register. Subpart 223.73 prohibits contracts from requiring hexavalent chromium in deliverables unless certain exceptions apply. These exceptions include authorization from a general or flag officer and members of the Senior Executive Service from a Program Executive Office, and unmodified legacy systems. Otherwise, Subpart 252.223-7008 provides the contract clause prohibiting contractors from using or delivering hexavalent chromium in a concentration greater than 0.1 percent by weight for all new contracts and to be included down to subcontractors for supplies, maintenance and repair services, and construction materials. National Aeronautics and Space Administration (NASA), Department of Defense (DoD), and industry stakeholders continue to search for alternatives to hex chrome in coatings applications that meet their performance requirements in corrosion protection, cost, operability, and health and safety, while typically specifying that performance must be equal to or greater than existing systems.

Kessel, Kurt↗
NASA NTRS1988

The bit-error rate performance of a satellite microwave matrix switch

The matrix switch is a critical element of communications satellites using multiple-beam antennas and on-board switching. Two proof-of-concept models of a microwave matrix switch have been developed under NASA-sponsored contracts. These switches have undergone extensive testing at NASA Lewis Research Center to determine their operating characteristics in a system environment. The results of these tests indicate the effect of the matrix switch on the overall system operation.

Kerczewski, Robert J.↗
DOE OSTI2022

Advanced Hydrogen Compressor for Hydrogen Storage Integrated with a Powerplant

This report summarizes work performed by Siemens Energy (SE) to design, build and test an advanced hydrogen compressor stage suitable for use in a hydrogen electrolysis system integrated with a powerplant to achieve energy storage in the form of compressed hydrogen. As hydrogen utilization increases to achieve energy storage and decarbonization of a variety of industries, the need is growing for improved and more cost-effective hydrogen compression technologies. The counter-rotating compression stage concept demonstrated under this contract and presented in this report offers a novel approach to achieve significantly more head rise per stage of compression, resulting in the potential for decreased capital cost and footprint compared to current state of the art centrifugal compression technologies. This report includes details of the design, testing, results, and subsequent validation of aerodynamic performance predictions.

08 HYDROGEN↗
DOE OSTI2024

Spike-and-Slab Shrinkage Priors for Structurally Sparse Bayesian Neural Networks

Network complexity and computational efficiency have become increasingly significant aspects of deep learning. Sparse deep learning addresses these challenges by recovering a sparse representation of the underlying target function by reducing heavily overparameterized deep neural networks. Specifically, deep neural architectures compressed via structured sparsity (e.g., node sparsity) provide low-latency inference, higher data throughput, and reduced energy consumption. In this article, we explore two well-established shrinkage techniques, Lasso and Horseshoe, for model compression in Bayesian neural networks (BNNs). To this end, we propose structurally sparse BNNs, which systematically prune excessive nodes with the following: 1) spike-and-slab group Lasso (SS-GL) and 2) SS group Horseshoe (SS-GHS) priors, and develop computationally tractable variational inference, including continuous relaxation of Bernoulli variables. We establish the contraction rates of the variational posterior of our proposed models as a function of the network topology, layerwise node cardinalities, and bounds on the network weights. Furthermore, we empirically demonstrate the competitive performance of our models compared with the baseline models in prediction accuracy, model compression, and inference latency.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1993

A European mobile satellite system concept exploiting CDMA and OBP

This paper describes a novel Land Mobile Satellite System (LMSS) concept applicable to networks allowing access to a large number of gateway stations ('Hubs'), utilizing low-cost Very Small Aperture Terminals (VSAT's). Efficient operation of the Forward-Link (FL) repeater can be achieved by adopting a synchronous Code Division Multiple Access (CDMA) technique, whereby inter-code interference (self-noise) is virtually eliminated by synchronizing orthogonal codes. However, with a transparent FL repeater, the requirements imposed by the highly decentralized ground segment can lead to significant efficiency losses. The adoption of a FL On-Board Processing (OBP) repeater is proposed as a means of largely recovering this efficiency impairment. The paper describes the network architecture, the system design and performance, the OBP functions and impact on implementation. The proposed concept, applicable to a future generation of the European LMSS, was developed in the context of a European Space Agency (ESA) study contract.

Vernucci, A.↗
NASA NTRS1992

HSCT inlet development issues

The purpose of this presentation is to highlight the issues affecting the development of engine air inlets for the HSCT. The Propulsion Airframe Integration Technology (PAIT) contract sponsored by NASA LeRC is an important element in the evolution of the propulsion system that will eventually power the HSCT. Most of the material presented here is based on work performed by The Boeing Company under Task 1 and 2 of PAIT. From the propulsion perspective, the premier technology issues associated with the HSCT are airport noise and high altitude emissions. The sources are the nozzle and combustor, respectively. For the inlet the most challenging issues are associated with integration. Among the issues are the following: integration with the main landing gear--protection from FOD and water and slush ingestion from the runway; integration with the engine--ensuring engine/inlet airflow matching, normal shock stability during engine airflow transients, and keeping total pressure distortion within acceptable limits; integration with the wing--minimizing nacelle/wing interference drag and inlet flowfield velocity distortion.

Koncsek, Joseph L.↗
NASA NTRS2010

Lateral Load Testing of the Advanced Stirling Convertor (ASC-E2) Heater Head

Free-piston Stirling convertors are fundamental to the development of NASA s next generation of radioisotope power system, the Advanced Stirling Radioisotope Generator (ASRG). The ASRG will use General Purpose Heat Source (GPHS) modules as the energy source and Advanced Stirling Convertors (ASCs) to convert heat into electrical energy, and is being developed by Lockheed Martin under contract to the Department of Energy. Achieving flight status mandates that the ASCs satisfy design as well as flight requirements to ensure reliable operation during launch. To meet these launch requirements, GRC performed a series of quasi-static mechanical tests simulating the pressure, thermal, and external loading conditions that will be experienced by an ASC E2 heater head assembly. These mechanical tests were collectively referred to as lateral load tests since a primary external load lateral to the heater head longitudinal axis was applied in combination with the other loading conditions. The heater head was subjected to the operational pressure, axial mounting force, thermal conditions, and axial and lateral launch vehicle acceleration loadings. To permit reliable prediction of the heater head s structural performance, GRC completed Finite Element Analysis (FEA) computer modeling for the stress, strain, and deformation that will result during launch. The heater head lateral load test directly supported evaluation of the analysis and validation of the design to meet launch requirements. This paper provides an overview of each element within the test and presents assessment of the modeling as well as experimental results of this task.

Cornell, Peggy A.↗
NASA NTRS2010

Lateral Load Testing of the Advanced Stirling Convertor (ASC-E2) Heater Head

Free-piston Stirling convertors are fundamental to the development of NASA s next generation of radioisotope power system, the Advanced Stirling Radioisotope Generator (ASRG). The ASRG will use General Purpose Heat Source (GPHS) modules as the energy source and Advanced Stirling Convertors (ASCs) to convert heat into electrical energy, and is being developed by Lockheed Martin under contract to the Department of Energy. Achieving flight status mandates that the ASCs satisfy design as well as flight requirements to ensure reliable operation during launch. To meet these launch requirements, GRC performed a series of quasi-static mechanical tests simulating the pressure, thermal, and external loading conditions that will be experienced by an ASC-E2 heater head assembly. These mechanical tests were collectively referred to as "lateral load tests" since a primary external load lateral to the heater head longitudinal axis was applied in combination with the other loading conditions. The heater head was subjected to the operational pressure, axial mounting force, thermal conditions, and axial and lateral launch vehicle acceleration loadings. To permit reliable prediction of the heater head s structural performance, GRC completed Finite Element Analysis (FEA) computer modeling for the stress, strain, and deformation that will result during launch. The heater head lateral load test directly supported evaluation of the analysis and validation of the design to meet launch requirements. This paper provides an overview of each element within the test and presents assessment of the modeling as well as experimental results of this task.

Cornell, Peggy A.↗
NASA NTRS2011

Lateral Load Testing of the Advanced Stirling Convertor (ASC-E2) Heater Head

Free-piston Stirling convertors are fundamental to the development of NASA s next generation of radioisotope power system, the Advanced Stirling Radioisotope Generator (ASRG). The ASRG will use General Purpose Heat Source (GPHS) modules as the energy source and Advanced Stirling Convertors (ASCs) to convert heat into electrical energy, and is being developed by Lockheed Martin under contract to the Department of Energy. Achieving flight status mandates that the ASCs satisfy design as well as flight requirements to ensure reliable operation during launch. To meet these launch requirements, GRC performed a series of quasi-static mechanical tests simulating the pressure, thermal, and external loading conditions that will be experienced by an ASC-E2 heater head assembly. These mechanical tests were collectively referred to as "lateral load tests" since a primary external load lateral to the heater head longitudinal axis was applied in combination with the other loading conditions. The heater head was subjected to the operational pressure, axial mounting force, thermal conditions, and axial and lateral launch vehicle acceleration loadings. To permit reliable prediction of the heater head s structural performance, GRC completed Finite Element Analysis (FEA) computer modeling for the stress, strain, and deformation that will result during launch. The heater head lateral load test directly supported evaluation of the analysis and validation of the design to meet launch requirements. This paper provides an overview of each element within the test and presents assessment of the modeling as well as experimental results of this task.

Cornell, Peggy A.↗
NASA NTRS2012

Noise Measurements of the VAIIPR Fan

This final report has been prepared by Honeywell Aerospace, Phoenix, Arizona, a unit of Honeywell International, Inc., documenting work performed during the period September 2004 through November 2005 for the National Aeronautics and Space Administration (NASA) Glenn Research Center, Cleveland, Ohio, under the Revolutionary Aero-Space Engine Research (RASER) Program, Contract No. NAS3- 01136, Task Order 6, Noise Measurements of the VAIIPR Fan. The NASA Task Manager was Dr. Joe Grady, NASA Glenn Research Center, Mail Code 60-6, Cleveland, Ohio 44135. The NASA Contract Officer was Mr. Albert Spence, NASA Glenn Research Center, Mail Code 60-6, Cleveland, Ohio 44135. This report focuses on the evaluation of internal fan noise as generated from various inflow disturbances based on measurements made from a circumferential array of sensors located near the fan and sensors upstream of a serpentine inlet.

Mendoza, Jeff↗
NASA NTRS2019

The Application of Advanced Electric Propulsion on the NASA Power and Propulsion Element (PPE)

NASA is charged with landing the first American woman and next American man on the South Pole of the Moon by 2024. To meet this challenge, NASA's Gateway will develop and deploy critical infrastructure required for operations on the lunar surface and that enables a sustained presence on and around the moon. NASA's Power and Propulsion Element (PPE), the first planned element of NASA's cis-lunar Gateway, leverages prior and ongoing NASA and U.S. industry investments in high-power, long-life solar electric propulsion technology investments. NASA awarded a PPE contract to Maxar Technologies to demonstrate a 2,500 kg xenon capacity, 50 kW-class SEP spacecraft that meets Gateway's needs, aligns with industry's heritage spacecraft buses, and allows extensibility for NASA's Mars exploration goals. Maxar's PPE concept design, is based directly on their high heritage, modular, highly reliable 1300-series bus architecture. The electric propulsion system features two 13 kW Advanced Electric Propulsion (AEPS) strings from Aerojet Rocketdyne and a Maxar-developed system comprised of four Busek 6 kW Hall-effect thrusters mounted in pairs on large range of motion pointing arms with four 6 kW-class, SPT-140-based PPUs. NASA is continuing to develop the 13 kW AEPS system through a contract with Aerojet Rocketdyne. In addition to the flight demonstration of an advanced electric propulsion system on PPE, a government-furnished plasma diagnostics package is planned to assess on-orbit performance characteristics and vehicle interactions. The paper will present overviews of NASA's Gateway and the PPE Project, the Maxar ion propulsion subsystem, the status of the two electric propulsion system developments, and the implementation of the plasma diagnostics package on the Maxar PPE spacecraft. The project is currently heading into SRR, with the propulsion build scheduled for 2021, and launch in 2022.

Herman, Daniel A.↗
DOE OSTI2020

WIPP Safety Significant Confinement Ventilation System (SSCVS) Quality Assurance Program - 20237

Construction and major equipment fabrication are underway for a new ventilation exhaust system at the Waste Isolation Pilot Plant (WIPP). The new system will provide continuous HEPA filtration of the exhaust from the WIPP underground while meeting the ventilation demands for expanded waste emplacement and mining operations over the next 40 years. The SSCVS project has proceeded with the awarding of CD-3A for Long Lead Procurements followed by CD-2/3 approval for the construction of the facilities. The SSCVS project team made the decision to increase the quality oversight throughout the complete project per the Project Quality Assurance Plan (PQAP) such that it can ensure the final products meet applicable NQA-1 requirements and general quality requirements, and that the project will proceed to operations without significant delays due to post installation quality concerns. The PQAP was established prior to approval of the project at the CD-2/3 milestone. The SSCVS project has 2 major long lead procurements which commenced with the awarding of CD-3A. These procurements include the HEPA filter housing assemblies and the Exhaust Fans. There are 22 HEPA filter assemblies for the SSCVS, which are designated Safety Significant for pressure boundary confinement, per the approved PDSA. The exhaust fans also have Safety Significant components to maintain the pressure confinement boundary. NWP made the decision to install resident Quality Inspectors at the fabrication facilities to ensure the documentation for each fabricated unit meets all the QA requirements as defined in the respective contract documents. For the construction of the SSCVS Salt Reduction Building (SRB) and New Filter Building (NFB), dedicated, on-site quality inspectors have been utilized to ensure that all work being performed will comply with quality requirements and the Special Inspections as defined in IBC-2015. At each stage of inspection, hold points are placed into the work packages to ensure NWP QA personnel are present to inspect and verify the installations are in accordance with the design specifications, codes and standards. With this level of oversight, NWP anticipates that the level of quality related issues, as seen on multiple other DOE complex site projects, will be avoided and that the commissioning, start-up and hot operations will progress in a timely fashion, as all documentation will be in place and approved prior to initiation of these activities. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1994

New Developments and Research Findings: NASA Hydrazine Arcjets

In 1984, the market for commercial geosynchronous communications satellites (comsats) was expanding and there was strong competition between spacecraft builders for market share. The propellant required for the north-south stationkeeping (NSSK) function was a major mission limiter, and the small chemical and resistojet systems then in use were at or near their physical limits. Thus, conditions were right for the development of a high performance NSSK system, and after an extensive survey of both propulsion technologies and the aerospace community, the NASA program chose hydrazine arcjets for development. A joint government/industry development program ensued which culminated in the acceptance of arcjet technology. NASA efforts included fundamental feasibility assessments, hardware development and verification, and multiple efforts aimed at the demonstration of critical operational characteristics of arcjet systems. Throughout the program, constant contact with the user community was maintained to determine system requirements. Both contracted and cooperative programs with industry were supported. First generation, kW-class arcjets are now operational for NSSK on the Telstar 401 satellite launched in December of 1993 and are baselined for use on multiple future satellite series (Intelsat 8, AsiaSat, Echostar). Arcjet development efforts are now focusing on the development of both high performance (600 s), 2 kW thrusters for application on next generation comsats and low power (Pe approximately 0.5 kW) for a variety of applications on power limited satellites. This paper presents a review of the NASA's role in the development of hydrazine arcjets with a focus on approaches, lessons learned, and the future.

Curren, Francis M.↗
DOE OSTI2024

LibERI—A portable and performant multi-GPU accelerated library for electron repulsion integrals via OpenMP offloading and standard language parallelism

A portable and performant graphics processing unit (GPU)-accelerated library for electron repulsion integral (ERI) evaluation, named LibERI, has been developed and implemented via directive-based (e.g., OpenMP and OpenACC) and standard language parallelism (e.g., Fortran DO CONCURRENT). Offloaded ERIs consist of integrals over low and high contraction s, p, and d functions using the rotated-axis and Rys quadrature methods. GPU codes are factorized based on previous developments with two layers of integral screening and quartet presorting. In this work, the density screening is moved to the GPU to enhance the computational efficacy for large molecular systems. Here, the L-shells in the Pople basis set are also separated into pure S and P shells to increase the ERI homogeneity and reduce atomic operations and the memory footprint. LibERI is compatible with any quantum chemistry drivers supporting the MolSSI Driver Interface. Benchmark calculations of LibERI interfaced with the GAMESS software package were carried out on various GPU architectures and molecular systems. The results show that the LibERI performance is comparable to other state-of-the-art GPU-accelerated codes (e.g., TeraChem and GMSHPC) and, in some cases, outperforms conventionally developed ERI CUDA kernels (e.g., QUICK) while fully maintaining portability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗