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DOE OSTI2024

Assessing the sensitivity of aerosol mass budget and effective radiative forcing to horizontal grid spacing in E3SMv1 using a regional refinement approach

Abstract. Atmospheric aerosols have important impacts on air quality and the Earth–atmospheric energy balance. However, as computing power is limited, Earth system models generally use coarse spatial grids and parameterize finer-scale atmospheric processes. These parameterizations and the simulation of atmospheric aerosols are often sensitive to model horizontal resolutions. Understanding the sensitivities is necessary for the development of Earth system models at higher resolutions with the deployment of more powerful supercomputers. Using the Energy Exascale Earth System Model (E3SM) version 1, this study investigates the impact of horizontal grid spacing on the simulated aerosol mass budget, aerosol–cloud interactions, and the effective radiative forcing of anthropogenic aerosols (ERFaer) over the contiguous United States. We examine the resolution sensitivity by comparing the nudged simulation results for 2016 from the low-resolution model (LR) and the regional refinement model (RRM). As expected, the simulated emissions of natural dust, sea salt, and marine organic matter are substantially higher in the RRM than in the LR. In addition, RRM simulates stronger aqueous-phase production of sulfate through the enhanced oxidation of sulfur dioxide by hydrogen peroxide due to increased cloud liquid water content. In contrast, the gas-phase chemical production of sulfate is slightly suppressed. The RRM resolves more large-scale precipitation and produces less convective precipitation than the LR, leading to increased (decreased) aerosol wet scavenging by large-scale (convective) precipitation. Regarding aerosol effects on clouds, RRM produces larger temporal variabilities in the large-scale liquid cloud fractions than LR, resulting in increased microphysical cloud processing of aerosols (more interstitial aerosols are converted to cloud-borne aerosols via aerosol activation) in RRM. Water vapor condensation is also enhanced in RRM compared to LR. Consequently, the RRM simulation produces more cloud droplets, a larger cloud droplet radius, a higher liquid water path, and a larger cloud optical depth than the LR simulation. A comparison of the present-day and pre-industrial simulations indicates that, for this contiguous United States domain, the higher-resolution increases ERFaer at the top of the model by about 12 %, which is mainly attributed to the strengthened indirect effect associated with aerosol–cloud interactions.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Applying corrective machine learning in the E3SM atmosphere model in C++ (EAMxx)

The Simple Cloud-Resolving E3SM Atmosphere Model (SCREAM) is the newest addition to the family of earth system models capable of explicitly resolving convective systems. SCREAM is a kilometer-scale configuration of the advanced E3SM Atmosphere Model (EAMxx), designed for heterogeneous computing architectures. While the enhanced accuracy of kilometer-scale modeling offers significant benefits, it comes with a substantial computational cost, limiting feasible simulation durations to only a few years to a few decades, even on the fastest supercomputers. Machine learning presents an opportunity for scientists to achieve the high accuracy of storm-resolving models at a significantly reduced cost. Building on the previous success of applying corrective machine learning (ML) to the FV3GFS earth system model, this study explores the effects of implementing corrective-ML in EAMxx-SCREAM. We also address the computational challenges of integrating our implementation of corrective-ML, which is written in Python, with the C++/Kokkos EAMxx driver, as well as potential reasons why this approach has not proved as effective for EAMxx-SCREAM as for FV3GFS.

Environmental sciences↗

DOE OSTI2021

ParFlow

ParFlow is an open-source, modular, parallel watershed flow model. It includes fully-integrated overland flow, the ability to simulate complex topography, geology and heterogeneity and coupled land-surface processes including the land-energy budget, biogeochemistry and snow (via CLM). It is multi-platform and runs with a common I/O structure from laptop to supercomputer. ParFlow is the result of a long, multi-institutional development history and is now a collaborative effort between CSM, LLNL, UniBonn and UCB. ParFlow has been coupled to the mesoscale, meteorological code ARPS and the NCAR code WRF.

Smith, Steven↗

DOE OSTI2021

ParFlow

Smith, Steven↗

DOE OSTI2022

VisMetHack2022: Visualizing winds and surface variables from the ECMWF IFS 1-km nature run

This data collection was contributed to the Visualisation Hackathon 2022 (#VisMetHack2022), in conjunction with the Using ECMWF's Forecasts (UEF2022) workshop. The European Center for Medium-Range Weather Forecasts (ECMWF) and the Oak Ridge National Laboratory (ORNL) are pleased to announce access to the data collection from global 1-km nature run (NR) simulations using the Integrated Forecast System (IFS) with explicit convection. We invite you to join us in exploring this precursor to a digital twin of the earth! The NR simulations reveal unprecedented detail of the earth’s atmosphere, and the then outgoing Editor-in-Chief of AGU JAMES commended the project as one of “stunning ambitions,” enabled by computational capacity at scale. The project also won the 2020 HPCwire Readers Choice Award for Best Use of HPC in Physical Sciences. A set of two NR seasonal simulations have been completed, one corresponding to the northern hemispheric winter months (NDJF) and the other for the North Atlantic tropical cyclone season (ASO). The project used the Summit supercomputer at the Oak Ridge Leadership Computing Facility (OLCF). The simulations were facilitated with an INCITE award from the US Department of Energy Office of Science. For the first seasonal run of four months (NDJF), the hydrostatic IFS model was initialized at 00Z on 1 November 2018. The NR for the TC season (AS) was initialized at 00Z on 1 August 2019. The NR simulations were constrained only by sea surface temperatures (SST) at the lower boundary. The IFS output was saved every 3 hours. After feedback and interest from the scientific community, the simulations were rerun for four specific extreme events, with output every 15 minutes. The special cases include a tropical cycle and three severe storm events over the continental USA.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Global Corn Heat Stress: Mean and SD of Degree Days Above 29°C based on NEX-GDDP-CMIP6 Climate Projections

Description This global dataset provides the estimated mean and standard deviation (SD) of corn heat stress (degree days above 29°C) for a set of climate models in NEX-GDDP-CMIP6 at 0.25-degree resolution. The NEX-GDDP-CMIP6 dataset is comprised of global downscaled climate scenarios derived from the General Circulation Model (GCM) runs conducted under the Coupled Model Intercomparison Project Phase 6 (CMIP6). The current dataset includes: Long-Term Average Degree Days Above 29°C- Historical Long-Term Average Degree Days Above 29°C- SSP245 Long-Term Standard Deviation of Degree Days Above 29°C- Historical Long-Term Standard Deviation of Degree Days Above 29°C- SSP245 The mean and SD are calculated over 1985-2014 for the historical period and over 2035-2064 for future projections. A full description of methods, including growing season, daily temperature distribution, and statistical coefficients, can be found in Haqiqi (2024). The source climate data are obtained from https://ds.nccs.nasa.gov/thredds2/catalog/catalog.html and are described in Thrasher et al (2022). The codes used to create this dataset are available at https://github.com/ihaqiqi/dd29c_nex_cmip6. Acknowledgments This work was supported by the US Department of Energy, Office of Science, Biological and Environmental Research Program, Earth and Environmental Systems Modeling, MultiSector Dynamics under Cooperative Agreement DE-SC0022141. The data processing, computation, and storage were completed on Purdue Anvil supercomputer and cyberinfrastructure supported by the National Science Foundation HDR award # 2118329: "NSF Institute for Geospatial Understanding through an Integrative Discovery Environment (I-GUIDE)". References Haqiqi. I. (2024). Trade can buffer climate-induced risks and volatilities in crop supply. Environmental Research: Food Systems. https://doi.org/10.1088/2976-601X/ad7d12 Thrasher, B., Wang, W., Michaelis, A., Melton, F., Lee, T., & Nemani, R. (2022). NASA global daily downscaled projections, CMIP6. Scientific Data, 9(1), 262. https://doi.org/10.1038/s41597-022-01393-4

Climate Change↗

DOE OSTI2024

Innovating the next generation of commercial smart building software

Nearly 30% of commercial building energy use is wasted due to equipment faults and HVAC controls problems. The result is increased emissions, compromised comfort and productivity, and less reliable coordination of building power needs with a clean grid. The energy impact alone represents $17 billion in potential savings. Today’s smart building software provides a robust solution to address these operational deficiencies. Energy management and information systems (EMIS) are saving up to 9% on average, with two-year paybacks. They are being incorporated into energy management processes, commissioning services, and utility programs. As effective as they are, two barriers prevent even deeper benefits; limited personnel to fix problems once they are identified, and the expense and time to manually implement changes in control systems. In partnership with the research community, the EMIS industry is developing new capabilities to overcome these barriers. Moving beyond siloed products for either fault detection and diagnostics, or optimal control, these new capabilities empower users to not only automatically identify faults, but also to push corrective action, and control improvements to their buildings. In this paper, several areas for enhancements are documented: ‘one-time’ correction of faults such as setpoints, schedules, and economizer lockouts; short-term active testing for automated proportional integral derivative (PID) loop tuning and functional testing; and continuous supervisory control for demand flexibility and year-round efficiency. Results are presented from a pair of partner implementations out of a dozen providers integrating these enhancements into their products, including field tests from across the country, and insights into operator acceptance and integration into operations and maintenance practices.

Casillas, Armando↗

NASA NTRS1978

Computational aerodynamics and the numerical aerodynamic simulation facility

Technical and economic reasons for accelerating the maturation of the discipline of computational aerodynamics include the cost of conducting the experiments required to provide the empirical data base for new aeronautical vehicles and the limitations in test facilities (Reynolds number, wall and support interferences, aeroelastic distortions, real-gas effects, etc.) for simulating the full-scale vehicle environment. General purpose computers do not have the necessary capability for the next stage of development. Solution of the three dimensional Reynolds averaged Naiver-Stokes equations in a short time to be practical for design purposes will require 40 times the power of current supercomputers. However, it is feasible to construct a special purpose processor that will meet these requirements to enhance the nation's aerodynamic design capability in the 1980's.

Peterson, V. L.↗

NASA NTRS1978

Trends in computerized structural analysis and synthesis; Proceedings of the Symposium, Washington, D.C., October 30-November 1, 1978

The subjects considered are related to future directions of structural applications and potential of new computing systems, advances and trends in data management and engineering software development, advances in applied mathematics and symbolic computing, computer-aided instruction and interactive computer graphics, nonlinear analysis, dynamic analysis and transient response, structural synthesis, structural analysis and design systems, advanced structural applications, supercomputers, numerical analysis, and trends in software systems. Attention is given to the reliability and optimality of the finite element method, computerized symbolic manipulation in structural mechanics, a standard computer graphics subroutine package, and a drag method as a finite element mesh generation scheme.

Noor, A. K.↗

NASA NTRS1982

Computational aerodynamics and design

The availability of supercomputers and the ingenuity of computational aerodynamics in design, and prospects for continued advancement are assessed.

Ballhaus, W. F., Jr.↗

NASA NTRS1982

Numerical methods and computers used in elastohydrodynamic lubrication

Some of the methods of obtaining approximate numerical solutions to boundary value problems that arise in elastohydrodynamic lubrication are reviewed. The highlights of four general approaches (direct, inverse, quasi-inverse, and Newton-Raphson) are sketched. Advantages and disadvantages of these approaches are presented along with a flow chart showing some of the details of each. The basic question of numerical stability of the elastohydrodynamic lubrication solutions, especially in the pressure spike region, is considered. Computers used to solve this important class of lubrication problems are briefly described, with emphasis on supercomputers.

Hamrock, B. J.↗

NASA NTRS1984

Adapting iterative algorithms for solving large sparse linear systems for efficient use on the CDC CYBER 205

Adapting and designing mathematical software to achieve optimum performance on the CYBER 205 is discussed. Comments and observations are made in light of recent work done on modifying the ITPACK software package and on writing new software for vector supercomputers. The goal was to develop very efficient vector algorithms and software for solving large sparse linear systems using iterative methods.

Kincaid, D. R.↗

NASA NTRS1984

Steady viscous flow past a circular cylinder

Viscous flow past a circular cylinder becomes unstable around Reynolds number Re = 40. With a numerical technique based on Newton's method and made possible by the use of a supercomputer, steady (but unstable) solutions have been calculated up to Re = 400. It is found that the wake continues to grow in length approximately linearly with Re. However, in conflict with available asymptotic predictions, the width starts to increase very rapidly around Re = 300. All numerical calculations have been performed on the CDC CYBER 205 at the CDC Service Center in Arden Hills, Minnesota.

Fornberg, B.↗

NASA NTRS1984

Requirements for migration of NSSD code systems from LTSS to NLTSS

The purpose of this document is to address the requirements necessary for a successful conversion of the Nuclear Design (ND) application code systems to the NLTSS environment. The ND application code system community can be characterized as large-scale scientific computation carried out on supercomputers. NLTSS is a distributed operating system being developed at LLNL to replace the LTSS system currently in use. The implications of change are examined including a description of the computational environment and users in ND. The discussion then turns to requirements, first in a general way, followed by specific requirements, including a proposal for managing the transition.

Pratt, M.↗

NASA NTRS1984

Review of NASA's (National Aeronautics and Space Administration) Numerical Aerodynamic Simulation Program

NASA has planned a supercomputer for computational fluid dynamics research since the mid-1970's. With the approval of the Numerical Aerodynamic Simulation Program as a FY 1984 new start, Congress requested an assessment of the program's objectives, projected short- and long-term uses, program design, computer architecture, user needs, and handling of proprietary and classified information. Specifically requested was an examination of the merits of proceeding with multiple high speed processor (HSP) systems contrasted with a single high speed processor system. The panel found NASA's objectives and projected uses sound and the projected distribution of users as realistic as possible at this stage. The multiple-HSP, whereby new, more powerful state-of-the-art HSP's would be integrated into a flexible network, was judged to present major advantages over any single HSP system.

Source record↗

NASA NTRS1983

Parallelism and pipelining in high-speed digital simulators

The attainment of high computing speed as measured by the computational throughput is seen as one of the most challenging requirements. It is noted that high speed is cardinal in several distinct classes of applications. These classes are then discussed; they comprise (1) the real-time simulation of dynamic systems , (2) distributed parameter systems, and (3) mixed lumped and distributed systems. From the 1950s on, the quest for high speed in digital simulators concentrated on overcoming the limitations imposed by the so-called von Neumann bottleneck. Two major architectural approaches have made ig possible to circumvent this bottleneck and attain high speeds. These are pipelining and parallelism. Supercomputers, peripheral array processors, and microcomputer networks are then discussed.

Karplus, W. J.↗

NASA NTRS1984

Initial experience with distributing structural calculations among computers operating in parallel

An existing program is currently being adapted to perform finite element analysis by distributing substructures over a network of four Apple IIe microcomputers connected to a shared disk. In this network, one microcomputer controls the entire process while the others perform the analysis on each substructure in parallel. This substructure analysis is used in an iterative, fully stressed, structural resizing procedure. This procedure allows experimentatation with resizing in which all analyses are not completed during a single iteration. This research gives some insight on how to configure multidiscriplinary analysis and optimization procedures for decomposable engineering systems using either high performance engineering workstations or a parallel processor supercomputer. In addition, the operational experience gained facilitates the implementation of analysis programs on these new computers when they become available in an engineering environment.

Rogers, J. L., Jr.↗

NASA NTRS1985

The NAS kernel benchmark program

A collection of benchmark test kernels that measure supercomputer performance has been developed for the use of the NAS (Numerical Aerodynamic Simulation) program at the NASA Ames Research Center. This benchmark program is described in detail and the specific ground rules are given for running the program as a performance test.

Bailey, D. H.↗