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NASA NTRS2018

Improving the Performance of the OMPS Limb Profiling Instrument in Monitoring Aerosols in the Post-Pinatubo Stratosphere

The OMPS Limb Profiling (LP) instrument was launched on NOAA's Suomi NPP (SNPP) weather satellite in October 2011. The instrument measures limb-scattered radiation in the ultraviolet, visible and NIR wavelengths with high vertical resolution (~2 km) and relatively dense spatial and temporal sampling (several thousand measurements/day covering the entire sunlit globe). These measurements have very high sensitivity to stratospheric aerosols due to long path of the incoming solar photons through the aerosol layer. However, unlike the recently launched ISS/SAGE III that directly measures extinction of solar/lunar radiation by gases and particles along the line of sight (LOS) of the instrument, information content of OMPS LP measurements is complex. It consists of solar radiation singly scattered and attenuated by aerosols, air, and trace gases along the LOS of the instrument, as well as diffuse upwelling radiation from the lower atmosphere that also gets scattered and attenuated into the LOS. To unscramble this complex signal one needs to have good knowledge of aerosol size distribution (ASD) and their complex refractive index. We will describe our recent efforts in constraining the ASD parameters by analyzing in-situ balloon data from Laramie, Wyoming; aerosol microphysical model data from CARMA; and spectral information provided by OMPS LP. We will also discuss our proposed methodology to reï¬ne this information by adjusting the microphysical properties of the aerosols to make data from various occultation and scattering instruments internally consistent. This is a generalized version of the technique employed by AERONET in which solar extinction data are combined with scattered radiation measured by the almucantar technique to determine aerosol particle shape, complex refractive index and size distribution. We suggest that such closure studies are essential to develop confidence in space-based data to validate aerosol microphysical models, such as CARMA, and aerosol chemistry- transport models, such as GOCART, and for estimating radiative forcing due to stratospheric aerosols in both volcanic and quiescent time periods.

Bhartia, P. K.↗

DOE OSTI2022

Kinetic Model for the Reduction of Cu II Sites by NO + NH 3 and Reoxidation of NH 3 -Solvated Cu I Sites by O 2 and NO in Cu-SSZ-13

In this work, a kinetic model is developed for the reduction of Cu II sites by NO + NH 3 and the reoxidation of NH 3 -solvated Cu I sites by O 2 and NO in Cu-SSZ-13. Fourier transform infrared (FTIR) spectroscopy and spatially resolved capillary inlet mass spectrometry (SpaciMS) measurements during transient reactor experiments are utilized to identify the rate parameters associated with NO + NH 3 RHC (reduction half-cycle), proposed to occur via two distinct pathways involving adsorbed NH 3 and gas-phase NH 3 . The resulting NO + NH 3 RHC model is validated using spatiotemporal N 2 measurements covering a wide range of temperatures (200–450 °C) and space velocities (53,000–640,000 h –1 ). N 2 O formation is observed and modeled during NO + NH 3 RHC, with quantitative validation under standard selective catalytic reduction (SCR) conditions. Experimentally measured enthalpic and entropic changes associated with O 2 adsorption on NH 3 -solvated Cu I (ZCu(NH 3 ) 2 ) complexes [ Kamasamudram, K. Catal. Today 2010 , 151 (3–4), 212-222], along with activation energies estimated computationally for the intercage diffusion of ZCu(NH 3 ) 2 complexes [ Paolucci, C. Science 2017 , 357 (6 354), 898-903], are incorporated into a mean field kinetic model for the low-temperature oxidation half-cycle (OHC). Significant NH 3 release is observed during the isothermal oxidation of Cu I sites, attributed to desorption of NH 3 ligands from NH 3 -solvated Cu II dimers (Z 2 Cu 2 (NH 3 ) 4 O 2 ). Reduction of these dimeric complexes leads to the consumption of one NO/Cu II , contradicting the expected reduction stoichiometry. Inclusion of a global Arrhenius rate for the NO titration of Z 2 Cu 2 (NH 3 ) 4 O 2 complexes provides accurate representations of standard SCR on reduced and oxidized catalysts, predicting transient NO and NH 3 consumption between 150 and 250 °C as a function of hydrothermal aging. Deactivation of low-temperature standard SCR by NH 3 is observed at high NH 3 pressures, modeled via the formation of superoxo amino (ZCu(NH 3 ) 3 OO*) complexes during NH 3 titration of Z 2 Cu 2 (NH 3 ) 4 O 2 complexes [ Negri, C. J. Am. Chem. Soc. 2020 , 142 (37), 15884-15896]. The redox kinetic model presented here provides a foundational description of active site redox during low-temperature standard SCR, combining the recent kinetic, spectroscopic, and computational findings on the mechanism of standard SCR over Cu-SSZ-13.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1984

Geomorphic clues to the Martian volatile inventory: Landslides

Eight landslide locales were selected in Valles Marineris for preliminary geomorphological mapping. Four main suites of morphological features were identified. In four order outward from the head scarp they are: (1) large ridges in head area, transverse to movement direction, probably slump blocks or pieces of wall that fell or toppled, possibly backward rotated; (2) smaller ridges, convex toward distal edge of slides, many with lobate pattern, some possibly step like scarps rather than ridges; (3) thin, sheet like debris cover, forms discrete fan shaped lobe with edge scarps unconfined; and (4) low transverse, continuous ridges (possibly folds) found at distal edge of slides, where debris appears to have encountered obstructions (e.g., opposing canyon walls), but not all confined slides exhibit this feature. Any one landslide can possess all or some of these features. Slides in the western Valles Marineris are more complex and show more variety than those in the eastern part.

Pieri, D.↗

NASA NTRS2000

Organic Matter in the Outer Solar System

Many solid bodies in the outer Solar System are covered with ices of various compositions, including water, carbon dioxide, methane, nitrogen, and other molecules that are solid at the low temperatures that prevail there. These ices have all been detected by remote sensing observations made with telescopes on Earth, or more recently, spacecraft in orbit (notably Galileo at Jupiter). The data also reveal other solid materials that could be minerals or complex carbon-bearing organic molecules. A study in progress using large ground-based telescopes to acquire infrared spectroscopic data, and laboratory results on the optical properties of complex organic matter, seeks to identify the non-icy materials on several satellites of Saturn, Uranus, and Neptune. The work on the satellites of Saturn is in part preparatory to the Cassini spacecraft investigation of the Saturn system, which will begin in 2004 and extend for four years.

Cruiskshank, Dale P.↗

NASA NTRS2004

Possible NASA Contributions to HEAT

A four-year experiment (HEAT) has been proposed (one summer in the field, 2005) to determine the sources and causes for the enhanced cloud-to-ground lightning over Houston, Texas, in association with simultaneous experiments by the Environmental Protection Agency (EPA) and the Texas Natural Resource Conservation Commission (TNRCC). Houston is the third most populous city in the United States and the region contains 50% of the petroleum refining capacity of the United States. Recent studies covering the period 1989-2000 document a 50% increase of cloud-to-ground lightning in the Houston area as compared to background values, which is second in flash density only to the Tampa Bay, Florida area. It is suggested that the elevated flash densities could result from several factors, including, 1) the convergence due to the urban heat island effect and complex sea breeze, and 2) the increasing levels of air pollution from anthropogenic sources producing numerous small droplets and thereby suppressing mean droplet size. The latter effect would enable more cloud water to reach the mixed phase region where it is involved in the formation of precipitation and the separation of electric charge, leading to an enhancement of lightning. The primary goals of HEAT are to examine the effects of (1) pollution, (2) the urban heat island, and (3) the complex coastline, on storms and lightning characteristics in the Houston area. The project is a multi- agency effort and will employ numerous observing capabilities and expertise. Dr. Shepherd has been asked to serve as a possible co- investigator to contribute expertise in areas related to urban impacts on precipitation variability. Dr. Shepherd is also a key NASA representative in the interagency effort. This presentation will provide an overview of recent NASA research focused on urban rainfall in Houston and offer potential NASA capabilities that could contribute to HEAT.

Shepherd, J. M.↗

NASA NTRS2007

Clay Bearing Units in the Region around Mawrth Vallis: Stratigraphy, Extent, and Possible Alteration Fronts

The largest exposure of phyllosilicates on Mars occurs on the highland plains around Mawrth Vallis. This exposure extends for about 300 km southward from the edge of the dichotomy boundary, covering an area greater than 200 x 300 kilometers over an elevation range of approximately 2000 meters. At least two different types of hydrated phyllosilicates (Fe/Mg-rich and Al-rich phyllosilicates) have been identified in OMEGA data based on absorption bands near 2.3 and 2.2 micrometers, respectively. These clay-bearing units are associated with layered, indurated light-toned units with complex spatial and stratigraphic relationships, and are unconfomably overlain by a darker, indurated, more heavily cratered unit. Ongoing analysis of OMEGA (approximately 1 kilometer/pixel) and CRISM multi-spectral (MSP, 200 meters/pixel) data reveal hydrated minerals with absorptions at approximately 2.2 or 2.3 micrometers in locations up to 300 kilometers away from the borders of the previously identified extent of clay-bearing units. We seek to: 1) further constrain the mineralogy of the hydrated species identified in [5], and 2) understand spatial and stratigraphic relationships between the different hydrated minerals and the cratered plains units in which they are found. In this work we perform mineralogical and stratigraphic comparisons between units to test whether these extended units may be related, in order to establish a broad zone of alteration.

Dobrea, E. Z. Noe↗

NASA NTRSDate not supplied

A HIRF-Map Certification Approach for UAM, AAM, and UAS Vehicles

Advanced Air Mobility (AAM), Urban Air Mobility (UAM), and Unmanned Aerial Systems (UAS) vehicles will fly in airspace similar to Transport Category Rotorcraft, requiring them to meet stringent requirements for High-Intensity Radiated Fields (HIRF) certification. The environment is notably severe, particularly compared to fixed-wing aircraft, due to operations at lower altitudes. This potentially exposes the vehicles to high-power transmitters on the ground, leading to significant challenges. High-level HIRF exposure can result in avionic system upsets, interference, and undesirable effects. Shielding and circuit protection against HIRF pose significant barriers concerning size, weight, and cost, especially for emerging electric vertical take-off and landing (eVTOL) and electric short take-off and landing (eSTOL) vehicles. This paper proposes a novel HIRF protection approach, aiming to reduce costs by certifying vehicles to a "vehicle tolerance level" lower than that required for Transport Category Rotorcraft. The remaining protection is achieved by maintaining a safe distance from known HIRF sources. This distance is calculated based on the vehicle's tolerance level and transmitter characteristics, such as transmit power, antenna beamwidth, and direction. Tailored flight maps are developed to identify transmitters and avoidance zones within an operating area or along a flight path, enabling restricted vehicle operations. Vehicles with higher tolerance levels could have smaller HIRF avoidance zones, allowing them to operate closer to transmitters. Transmitter data are sourced from government databases, such as those of the Federal Communications Commission (FCC) and the National Oceanic and Atmospheric Administration (NOAA). A map tool is developed using Matlab to calculate and visualize HIRF avoidance zones based on available databases. The tool determines stand-off distances based on input vehicle tolerance levels, displaying results on various base maps depicting HIRF-restricted areas. Illustrations cover various FCC transmitters, including AM/FM/TV transmitters, satellite earth stations, and NOAA weather radars. The HIRF zones of smaller transmitters, such as land-mobile radios, pagers, microwave links, and cellular towers, are also illustrated. An example of flight planning around transmitters is provided. For now, airports and government-owned lands are excluded due to limited access to sensitive transmitter data. Despite this approach, a minimum HIRF tolerance level for vehicles may still be necessary to cover mobile devices, cellular base stations, transmitters on other AAM vehicles, and other small power devices not included in the FCC databases. The paper discusses findings and areas for improving existing databases and suggests an approach for better access to sanitized data in more restricted government databases. This method significantly deviates from the standard approach and introduces slightly higher flight-planning complexity. However, the potential cost savings are considerable. Future AAM/UAM/UAS aeronautical charts could potentially incorporate these new HIRF avoidance zones. Keywords—HIRF; Map; AAM; UAM; UAS; Advanced Air Mobility; Urban Air Mobility; Unmanned Aerial Systems; Certification.

HIRF↗

NASA NTRS2013

Applications of Automation Methods for Nonlinear Fracture Test Analysis

Using automated and standardized computer tools to calculate the pertinent test result values has several advantages such as: 1. allowing high-fidelity solutions to complex nonlinear phenomena that would be impractical to express in written equation form, 2. eliminating errors associated with the interpretation and programing of analysis procedures from the text of test standards, 3. lessening the need for expertise in the areas of solid mechanics, fracture mechanics, numerical methods, and/or finite element modeling, to achieve sound results, 4. and providing one computer tool and/or one set of solutions for all users for a more "standardized" answer. In summary, this approach allows a non-expert with rudimentary training to get the best practical solution based on the latest understanding with minimum difficulty.Other existing ASTM standards that cover complicated phenomena use standard computer programs: 1. ASTM C1340/C1340M-10- Standard Practice for Estimation of Heat Gain or Loss Through Ceilings Under Attics Containing Radiant Barriers by Use of a Computer Program 2. ASTM F 2815 - Standard Practice for Chemical Permeation through Protective Clothing Materials: Testing Data Analysis by Use of a Computer Program 3. ASTM E2807 - Standard Specification for 3D Imaging Data Exchange, Version 1.0 The verification, validation, and round-robin processes required of a computer tool closely parallel the methods that are used to ensure the solution validity for equations included in test standard. The use of automated analysis tools allows the creation and practical implementation of advanced fracture mechanics test standards that capture the physics of a nonlinear fracture mechanics problem without adding undue burden or expense to the user. The presented approach forms a bridge between the equation-based fracture testing standards of today and the next generation of standards solving complex problems through analysis automation.

Allen, Phillip A.↗

DOE OSTI2020

New-to-nature chemistry from old protein machinery: carbene and nitrene transferases

Hemoprotein-catalyzed carbene and nitrene transformations have emerged as powerful tools for constructing complex molecules; they also nicely illustrate how new protein catalysts can emerge, evolve and diversify. These laboratory-invented enzymes exploit the ability of proteins to tame highly reactive carbene and nitrene species and direct their fates with high selectivity. New-to-nature carbene and nitrene transferases catalyze many useful reactions, including some that have no precedent using chemical methods. Here we cover recent advances in this field, including alkyne cyclopropenation, arene cyclopropanation, carbene C–H insertion, intramolecular nitrene C–H insertion, alkene aminohydroxylation, and primary amination. For such transformations, biocatalysts have exceeded the performance of reported small-molecule catalysts in terms of selectivity and catalyst turnovers. Lastly, we offer our thoughts on using these new enzymatic reactions in chemical synthesis, integrating them into biological pathways and chemo-enzymatic cascades, and on their current limitations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

From lignin to market: a technical and economic perspective of reductive depolymerization approaches

Lignin has grown into one of the main candidates to replace fossil-based resources as it is the largest renewable source of aromatic building blocks. The complex structure of polymeric lignin, however, requires depolymerization to simpler building blocks for the chemical industry. One of the most promising depolymerization approaches is reductive depolymerization of which two process configurations are currently studied in pilot scale installations for upscaling to industrial scale: (i) reductive catalytic fractionation (RCF), and (ii) reductive catalytic depolymerization (RCD). Both technical and techno-economic aspects will be covered within this review, discussing the advantages and challenges of both approaches regarding processing, production costs, product output, and applications. In this regard, RCF benefits from its decreased energy and solvent consumption linked with being a one-step process and delivers a product with a high monomer content (∼25–45 wt%). RCD, on the other hand, has the advantage of continuous processing and reduced catalyst fouling and delivers a product that mainly consists of oligomers (<10 wt% monomers). The complete overview of both processes presented here addresses their potential, and can guide future researchers, policy makers and companies to make thoughtful decisions on lignin valorization.

09 BIOMASS FUELS↗

NASA NTRS1979

Solar heating and hot water system installed at Municipal Building complex, Abbeville, South Carolina

Information on the solar energy system installed at the new municipal building for the City of Abbeville, SC is presented, including a description of solar energy system and buildings, lessons learned, and recommendations. The solar space heating system is a direct air heating system. The flat roof collector panel was sized to provide 75% of the heating requirement based on an average day in January. The collectors used are job-built with two layers of filon corrugated fiberglass FRP panels cross lapped make up the cover. The storage consists of a pit filled with washed 3/4 in - 1 1/2 in diameter crushed granite stone. The air handler includes the air handling mechanism, motorized dampers, air circulating blower, sensors, control relays and mode control unit. Solar heating of water is provided only those times when the hot air in the collector is exhausted to the outside.

Source record↗

NASA NTRS1986

Cold atomic hydrogen in the inner galaxy

The VLA is used to measure 21 cm absorption in directions with the absolute value of b less than 1 deg., the absolute value of 1 less than 25 deg. to probe the cool atomic gas in the inner galaxy. Abundant H I absorption is detected; typical lines are deep and narrow, sometimes blending in velocity with adjacent features. Unlike 21 cm emission not all allowed velocities are covered: large portions of the l-v diagram are optically thin. Although not similar to H I emission, the absorption shows a striking correspondence with CO emission in the inner galaxy: essentially every strong feature detected in one survey is seen in the other. The provisional conclusion is that in the inner galaxy most cool atomic gas is associated with molecular cloud complexes. There are few or no cold atomic clouds devoid of molecules in the inner galaxy, although these are common in the outer galaxy.

Dickey, J. M.↗

NASA NTRS1994

Rapid solution of large-scale systems of equations

The analysis and design of complex aerospace structures requires the rapid solution of large systems of linear and nonlinear equations, eigenvalue extraction for buckling, vibration and flutter modes, structural optimization and design sensitivity calculation. Computers with multiple processors and vector capabilities can offer substantial computational advantages over traditional scalar computer for these analyses. These computers fall into two categories: shared memory computers and distributed memory computers. This presentation covers general-purpose, highly efficient algorithms for generation/assembly or element matrices, solution of systems of linear and nonlinear equations, eigenvalue and design sensitivity analysis and optimization. All algorithms are coded in FORTRAN for shared memory computers and many are adapted to distributed memory computers. The capability and numerical performance of these algorithms will be addressed.

Storaasli, Olaf O.↗

NASA NTRS2003

Transient Modeling of Hybrid Rocket Low Frequency Instabilities

A comprehensive dynamic model of a hybrid rocket has been developed in order to understand and predict the transient behavior including instabilities. A linearized version of the transient model predicted the low-frequency chamber pressure oscillations that are commonly observed in hybrids. The source of the instabilities is based on a complex coupling of thermal transients in the solid fuel, wall heat transfer blocking due to fuel regression rate and the transients in the boundary layer that forms on the fuel surface. The oscillation frequencies predicted by the linearized theory are in very good agreement with 43 motor test results obtained from the hybrid propulsion literature. The motor test results used in the comparison cover a very wide spectrum of parameters including: 1) four separate research and development programs, 2) three different oxidizers (LOX, GOX, N2O), 3) a wide range of motor dimensions (i.e. from 5 inch diameter to 72 inch diameter) and operating conditions and 4) several fuel formulations. A simple universal scaling formula for the frequency of the primary oscillation mode is suggested.

Karabeyoglu, M. Arif↗

NASA NTRS2008

Geologic Mapping of the Meridiani Region, Mars

The light toned bedrock that has been observed at the Mars Exploration Rover Opportunity landing site is an upper layer in a sequence >600 m thick in places. These outcrops contain mineral and textural signatures that require interaction of, and possibly formation from, water. Many distinct layers are visible in the remote sensing data (e.g. Figure 1) and no work has ever characterized the full set of these materials that cover an area >3 105 km2 spanning 20 of longitude. Thus, whatever water-related process( es?) altered, and possibly formed, the rocks at the Opportunity landing site extended over a vast region of Mars. Yet many questions remain to be answered, such as: (1) in what capacity did water form and alter the deposits?, (2) what are the temporal and spatial relations with other major events known from ancient Mars?, and (3) would this type of environment have been conducive to the development of life? To address these questions we are completing a detailed geologic, stratigraphic, and thermophysical properties study of this widespread terrain. Specifically, we are drafting a 1:2M-scale geological map covering the full extent of these water-related deposits. In tandem with the mapping, Hynek and Phillips [1] have conducted a preliminary stratigraphic analysis of the stack of materials. After mapping is complete, we will study the thermophysical properties of the varied layers to derive possible compositional information of the materials. These tasks serve several purposes including gaining an understanding of the complex nature of these materials, their potential source region(s), and their timing of emplacement. All of these efforts are necessary to place the observations by the Opportunity Rover in a broader context and prepare for potential future landed missions to the region. Understanding the large-scale paleohydrology of Mars is central to NASA s goals and vital for determining if life ever arose on the planet.

Hynek, B. M.↗

NASA NTRSDate not supplied

Exploring the Integration of Earth Observations to Support Community Management of a Protected Area in Guatemala

Central America faces increasing challenges of deforestation and habitat fragmentation with complex drivers. Protected areas are one response to these challenges, forming a continuous forest stand subject to national conservation systems and laws. As part of a novel shared-management model, both the community of Santa María Tzejá and the Protected Areas Council of Guatemala (CONAP in Spanish) co-manage Cerro Cantil, a protected area in the Ixcán department of northwestern Guatemala covering approximately 314 ha. The SERVIR program, a joint initiative between NASA and USAID, in partnership with leaders from Santa María Tzejá, began a pilot project to explore how the integration of satellite remote sensing can support forest and biodiversity monitoring and contribute to the community’s reporting requirements. To assess Cerro Cantil’s potential role to protect endemic species between three larger protected areas, we model least cost corridors between Cerro Cantil and Laguna Lachuá, Visi Cabá, and Montes Azules for Alouatta pigra (Black Howler Monkey). Additionally, we evaluate the potential contribution of a forestry-conservation incentives program (PROBOSQUE) to stem fragmentation and support biodiversity by assessing the forest area overlapping both the modeled corridors and plots belonging to families enrolled in PROBOSQUE. Results contribute to community understanding of the value of Cerro Cantil to protect local biodiversity as well as the interaction of a forestry incentive program and protected area designation.

Biodiversity↗

DOE OSTI2024

Digital camera imagery for vegetation phenology, Seward Peninsula, Alaska, 2022-2023

Timelapse camera images from Council Mile Marker (MM) 71, Kougarok MM 64, Kougarok Fire Complex (KFC), and Teller MM 27 NGEE-Arctic field sites on the Seward Peninsula, Alaska, captured from July 2022 to July 2023. Eight Wingscape Timelapse Pro cameras, and thirty-one Power-interval Camera Automation Modules (PiCAMs) designed by Brookhaven National Laboratory?s Terrestrial Ecosystem Science and Technology (TEST) group were deployed targeting patches of low and tall shrubs (including Alnus sp. and Salix sp.) and general vegetation and landscape views. Images from Wingscape cameras were recorded at hourly intervals from 11 AM to 2 PM, and images from PiCAMs were recorded at 5 hourly intervals from 12 AM to 8 PM, continuously for 12 months and capture vegetation phenology, snow accumulation and snow melt events. This data package includes images (*.jpg), organized by site and camera ID, and metadata with details of the cameras used, number of images recorded, start and end dates, GPS locations and example fields of view. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Evaluating integration and performance of containerized climate applications on a Hewlett Packard Enterprise Cray system

Containers have taken over large swaths of cloud computing as the most convenient way of packaging and deploying applications. The features that containers offer for packaging and deploying applications translate to high performance computing (HPC) as well. At The National Oceanic and Atmospheric Administration, containers provide an easy way to build and distribute complex HPC applications, allowing faster collaboration, portability, and experiment computer environment reproducibility amongst the scientific community. The challenge arises when applications rely on message passing interface (MPI). This necessitates investigation into how to properly run these applications with their own unique requirements and produce performance on par with native runs. We investigate the MPI performance for benchmarks and containerized climate models for various containers covering selection of compiler and MPI library combinations from the Cray provided programming environments on the Cray XC supercomputer GAEA. Performance from the benchmarks and the climate models shows that for the most part containerized applications perform on par with the natively built applications when the system optimized Cray MPICH libraries are bound into the container, and the hybrid model containers have poor performance in comparison. We also describe several challenges and our solutions in running these containers, particularly challenges with heterogeneous jobs for the containerized model runs.

Abraham, Subil↗