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xSDK-batched Subcontract - Ginkgo Batched Iterative Solver Development (Final Report)

Iterative solvers are fundamentally different from direct solvers in terms of execution as they generally do not execute a pre-defined sequence of operations or steps, but adapt the number of iterations to the specific problem and the preset solution quality. Generally, the adaptation of the iteration count to the problem is realized by monitoring the solver convergence and stopping the iteration process once the monitored metric, e.g., the residual norm, hits a pre-defined threshold. When addressing a set of problems with different properties, it is necessary to monitor the threshold for each problem individually and break up the SIMD execution style to avoid excess iterations for “easier” problems. Ginkgo integrates a simple but customizable stopping criterion for the residual norm and generally uses a pre-defined (relative or absolute) residual norm as the stopping criterion. In order to avoid the overhead of launching a kernel at every iteration, the iteration convergence and iteration control is part of the solver kernel. Each thread maintains its own copy of the iteration count.

97 MATHEMATICS AND COMPUTING↗

Batched Sparse Linear Algebra (Final Report for Subcontract B648960)

This report finalizes design specifications for developing batched kernels for small tensor operations for unassembled matrix-free iterative solvers, batched solvers for partially assembled operators, and batched solvers with support for various sparse formats. The outcome of the project milestones is a set of interfaces to Batched Sparse LA solvers running on hardware accelerators for use in ECP Libraries and Applications. It is part of the development of sparse batched kernels, solvers/preconditioners as well as creating interoperability in xSDK libraries with sparse and dense batched functions to benefit ECP applications. The participants included representatives from ECP libraries (not limited to the xSDK project), applications, and vendors (AMD, Intel, and NVIDIA). Batched sparse linear algebra solvers form the new frontier for algorithmic development and performance engineering. Many applications (ECP and non-ECP alike) require simultaneous solutions of small linear systems of equations that are structurally sparse. To move towards high hardware utilization, it is important to provide these applications with appropriate interfaces to efficient batched sparse solvers running on modern hardware accelerators. We present interface designs in use by HPC software libraries supporting batched sparse linear algebra and the development of sparse batched kernel codes for solvers and preconditioners. We also address the potential interoperability opportunities to keep the software portable between the major hardware accelerators from AMD, Intel, and NVIDIA. The presented interface specifications includes batched band, sparse iterative, and sparse direct solvers. This report summarizes progress in Kokkos Kernels and the xSDK libraries MAGMA, Ginkgo, hypre, SUNDIALS, and SuperLU_dist.

97 MATHEMATICS AND COMPUTING↗

Continuum Model Development for Electrochemical Systems (Statement of Work: Ilenia Battiato Subcontract)

The subcontractor shall provide the services of qualified multiscale modelers to perform tasks that contribute to reaching the objectives of the LDRD project entitled Automated and Accelerated Continuum Model Development for Electrochemical Systems (Tracking number 24-ERD-051). These tasks relate to the development, deployment, and validation of multiscale models relevant to electrochemical systems.

36 MATERIALS SCIENCE↗

[Equipment Inventory Report of Inventions and Subcontracts]

This was a joint award to the PI, then of Texas A&M University, and Gerald Heymsfield of NASA GSFC, with co-I's Robbie Hood and Richard Blakeslee of NASA Marshall Space Flight Center (MSFC). Although the PI moved to the University of Utah during year-2 of this grant, it continued to be administered through Texas A&M for the convenience of the Ph.D. student Daniel Cecil until after he defended his dissertation in late 2000. Cecil has assembled a subset of this database for 261 Tropical Rainfall Measuring Mission (TRMM) passes over 45 hurricanes or tropical cyclones. It consists of TRMM Microwave Imager (TMI) ice scattering signatures and TRMM Precipitation Radar (PR) reflectivity profiles and Lightning Imaging Sensor (LIS) flash locations for the rain features associated with all tropical cyclones observed by TRMM from Dec. 1997 through Dec. 1998. Each rain feature has been subjectively cataloged as belonging to a hurricane eyewall, inner rainband, outer rainband, or the inner or outer regions of a developing or non-developing tropical cyclone. This database quantifies the relative abundance of lightning in outer rainbands compared to eyewalls and inner rainbands. The TRMM data set permits studies that can seek more specific physical relationships than Cecil and Zipser were able to find when they related some SSM/I measures of ice scattering to hurricane intensity change.

Zipser, Edward J.↗

Hardware Development Process for Human Research Facility Applications

The simple goal of the Human Research Facility (HRF) is to conduct human research experiments on the International Space Station (ISS) astronauts during long-duration missions. This is accomplished by providing integration and operation of the necessary hardware and software capabilities. A typical hardware development flow consists of five stages: functional inputs and requirements definition, market research, design life cycle through hardware delivery, crew training, and mission support. The purpose of this presentation is to guide the audience through the early hardware development process: requirement definition through selecting a development path. Specific HRF equipment is used to illustrate the hardware development paths. The source of hardware requirements is the science community and HRF program. The HRF Science Working Group, consisting of SCientists from various medical disciplines, defined a basic set of equipment with functional requirements. This established the performance requirements of the hardware. HRF program requirements focus on making the hardware safe and operational in a space environment. This includes structural, thermal, human factors, and material requirements. Science and HRF program requirements are defined in a hardware requirements document which includes verification methods. Once the hardware is fabricated, requirements are verified by inspection, test, analysis, or demonstration. All data is compiled and reviewed to certify the hardware for flight. Obviously, the basis for all hardware development activities is requirement definition. Full and complete requirement definition is ideal prior to initiating the hardware development. However, this is generally not the case, but the hardware team typically has functional inputs as a guide. The first step is for engineers to conduct market research based on the functional inputs provided by scientists. CommerCially available products are evaluated against the science requirements as well as modifications needed to meet program requirements. Options are consolidated and the hardware development team reaches a hardware development decision point. Within budget and schedule constraints, the team must decide whether or not to complete the hardware as an in-house, subcontract with vendor, or commercial-off-the-shelf (COTS) development. An in-house development indicates NASA personnel or a contractor builds the hardware at a NASA site. A subcontract development is completed off-site by a commercial company. A COTS item is a vendor product available by ordering a specific part number. The team evaluates the pros and cons of each development path. For example, in-bouse developments utilize existing corporate knowledge regarding bow to build equipment for use in space. However, technical expertise would be required to fully understand the medical equipment capabilities, such as for an ultrasound system. It may require additional time and funding to gain the expertise that commercially exists. The major benefit of subcontracting a hardware development is the product is delivered as an end-item and commercial expertise is utilized. On the other hand, NASA has limited control over schedule delays. The final option of COTS or modified COTS equipment is a compromise between in-house and subcontracts. A vendor product may exist that meets all functional requirements but req uires in-house modifications for successful operation in a space environment. The HRF utilizes equipment developed using all of the paths described: inhouse, subcontract, and modified COTS.

Bauer, Liz↗

Parallel-in-Time Methods for Method-of-Lines Discretizations of Nonlinear Hyperbolic PDEs and Systems (Final Report)

The work for the subcontract is situated in the area of parallel-in-time integration for hyperbolic partial differential equations (PDEs). Parallel-in-time integration is an active area of research due to its ability to enable faster numerical simulations for applications throughout many areas of science. The work in this subcontract builds on a variety of results that were obtained, as part of the work performed for Subcontract No. B648355, for the Multigrid Reduction-in-Time (MGRIT) method from [1] applied to hyperbolic PDEs. This subcontract extends these results further to more efficient methods and to the case of method-of-lines discretizations for nonlinear hyperbolic PDES and systems of PDEs. The following is a summary of the research performed and results achieved during milestone periods 1, 2 and 3 by the PI (Hans De Sterck) and Postdoctoral Research Associate (Oliver Krzysik), for required tasks 1-4 (as listed in the Statement of Work): Research over the previous year has been split into three main projects: (i) solution of acoustic equation system; (ii) solution of nonlinear scalar hyperbolic PDEs; (iii) solution of nonlinear hyperbolic systems of PDEs.

97 MATHEMATICS AND COMPUTING↗

Wood-to-Fuel for California's Transportation Sector using Autothermal Pyrolysis (Progress Report for FRD-17-002)

In the month of April, we planned to have the Site License Agreement with SPI signed and fully executed, make further progress on the market assessment for the Wood-to-Bio-oil Market Report, and hoped to have the subcontracts in place with Iowa State University and Frontline BioEnergy, LLC once we have approval from the CAM. We also plan to have the updated budget from Iowa State in order to send both updated sub-recipient budget sheets to the CAM for approval.We continue to make more progress towards getting our subcontracts in place and received the requested adjustments to ISU’s budget sheets. These were sent to the CAM on 4/30/2020. As the COVID-19 situation is country-wide, we anticipate slower responses from our partners due to similar delays in their organizations to what we are experiencing internally. Although their response times will be slower, both ISU and Frontline are continuing to make good progress on their work for the demonstration in Iowa for this summer, which is assisting with keeping us on schedule for the overall effort. We are continuing to work on the required documents for our subcontracts – though neither will be placed before we receive official approval from our CAM – so that once we have approval, we can place them very quickly.

09 BIOMASS FUELS↗

Wood-to-Fuel for California's Transportation Sector using Autothermal Pyrolysis (FRD-17-002 Progress Report)

Both our subcontract with ISU and the one with Frontline have been finalized and the requisitions for the initiation of them have been submitted (this places defined amounts of funding available to the subcontracts, for the first allotment of work to be done, for which we already have funds from the CEC). Once the requisitions are approved, the subcontracts will be fully executed. During the month of August, further work on the Market Report was carried out, and will continue, as this is the most adaptable of the LLNL-main tasks to working remotely, so will not have any delays due to the shelter-in-place orders. Organization of our databases and sources on availability, and potential availability of all woody biomass was continued. Tables and figures for the report were begun as well, and the outline was finalized. Additionally, a parametric study for pyrolysis’ different products was done, with a metric of return on capital investment being chosen. Evaluated parameters include feedstock price, CO2 credit price, CO2 transport cost, and minimum fuel selling price, for drop-in fuels.

09 BIOMASS FUELS↗

xSDK Multiprecision (Final Report)

The xSDK Multiprecision effort as focus effort of the ECP project xSDK focused on the development, deployment, and dissemination of mixed precision functionality in the US Exascale Computing Project. Over a duration of four years, KIT as subcontract to LLNL provided technology development, functionality deployment, integration support, and consulting on mixed precision functionality. The subcontract was modified several times over the project duration. All deliverables of the subcontract have been completed. This final report accumulates the quarterly progress reports and most significant contributions.

97 MATHEMATICS AND COMPUTING↗

Scientific Data Analysis and Software Support: Geodynamics

The support on this contract centers on development of data analysis strategies, geodynamic models, and software codes to study four-dimensional geodynamic and oceanographic processes, as well as studies and mission support for near-Earth and interplanetary satellite missions. SRE had a subcontract to maintain the optical laboratory for the LTP, where instruments such as MOLA and GLAS are developed. NVI performed work on a Raytheon laser altimetry task through a subcontract, providing data analysis and final data production for distribution to users. HBG had a subcontract for specialized digital topography analysis and map generation. Over the course of this contract, Raytheon ITSS staff have supported over 60 individual tasks. Some tasks have remained in place during this entire interval whereas others have been completed and were of shorter duration. Over the course of events, task numbers were changed to reflect changes in the character of the work or new funding sources. The description presented below will detail the technical accomplishments that have been achieved according to their science and technology areas. What will be shown is a brief overview of the progress that has been made in each of these investigative and software development areas. Raytheon ITSS staff members have received many awards for their work on this contract, including GSFC Group Achievement Awards for TOPEX Precision Orbit Determination and the Joint Gravity Model One Team. NASA JPL gave the TOPEX/POSEIDON team a medal commemorating the completion of the primary mission and a Certificate of Appreciation. Raytheon ITSS has also received a Certificate of Appreciation from GSFC for its extensive support of the Shuttle Laser Altimeter Experiment.

Klosko, Steven↗

Quarterly Management Document – FY20, 1st Quarter, Multi-pass Hybrid Laser Arc Welding of Alloy 740H

During the first quarter of FY20, work focused on implementing a subcontract with Penn State University to collaborate on the project. Significant delays prevented the subcontract from being placed until the end of December. As a result only limited progress was made on the project. Required equipment was researched and ordered during the first quarter but will not be delivered until the middle of the second quarter of FY20. Delays are not expected to adversely impact the schedule of the project.

36 MATERIALS SCIENCE↗

Parallel-In-Time Integration for Hyperbolic Problems (Final Report)

The work for the subcontract was situated in the area of parallel-in-time integration for advection-dominated and hyperbolic partial differential equations (PDEs). Parallel-in-time integration is an active area of research due to its ability to enable faster numerical simulations for applications throughout many areas of science. Over the past two decades, much progress has been made in this area; however, this progress has largely been limited to non-hyperbolic, diffusion-dominated PDEs. Given the ubiquity of numerical simulations of advection-dominated hyperbolic PDEs throughout the sciences, there is a strong need to develop efficient parallel-in-time techniques for hyperbolic problems, which was the main topic of this subcontract.

97 MATHEMATICS AND COMPUTING↗

Parallel-in-Time Integration for Nonlinear Hyperbolic Problems (Final Report)

The work for the subcontract was situated in the area of parallel-in-time integration for hyperbolic partial differential equations (PDEs). Parallel-in-time integration is an active area of research due to its ability to enable faster numerical simulations for applications throughout many areas of science. Over the past two decades, much progress has been made in this area; however, this progress has largely been limited to diffusion-dominated PDEs, with some recent success in scalar linear hyperbolic PDEs. Given the ubiquity of numerical simulations of hyperbolic PDEs throughout the sciences, in particular, nonlinear hyperbolic systems, there is a strong need to develop efficient parallel-in-time techniques for hyperbolic problems beyond simple scalar and linear cases, which is the main topic of this subcontract. The main focus of the work was to further develop and perfect coarse-grid operators for the Multigrid Reduction-inTime (MGRIT) method applied to hyperbolic PDEs that were recently proposed in PhD thesis, based on a modified semi-Lagrangian approach.

97 MATHEMATICS AND COMPUTING↗

“Development of Interactive Chemistry in E3SM v2” Final Report (3/1/2023-2/29/2024)

We are pleased to report that the proposed milestones and tasks under this subcontract, or those modified subsequently by the Technical Representative based on project needs, have been met. In general, the accomplishments under this subcontract exceeded the originally proposed milestones and effort, and went from code development to scientific results and high-profile publications, to mission critical software development for the E3SM project.

54 ENVIRONMENTAL SCIENCES↗

Nuclear Lunar Logistics Study

This document has been prepared to incorporate all presentation aid material, together with some explanatory text, used during an oral briefing on the Nuclear Lunar Logistics System given at the George C. Marshall Space Flight Center, National Aeronautics and Space Administration, on 18 July 1963. The briefing and this document are intended to present the general status of the NERVA (Nuclear Engine for Rocket Vehicle Application) nuclear rocket development, the characteristics of certain operational NERVA-class engines, and appropriate technical and schedule information. Some of the information presented herein is preliminary in nature and will be subject to further verification, checking and analysis during the remainder of the study program. In addition, more detailed information will be prepared in many areas for inclusion in a final summary report. This work has been performed by REON, a division of Aerojet-General Corporation under Subcontract 74-10039 from the Lockheed Missiles and Space Company. The presentation and this document have been prepared in partial fulfillment of the provisions of the subcontract. From the inception of the NERVA program in July 1961, the stated emphasis has centered around the demonstration of the ability of a nuclear rocket to perform safely and reliably in the space environment, with the understanding that the assignment of a mission (or missions) would place undue emphasis on performance and operational flexibility. However, all were aware that the ultimate justification for the development program must lie in the application of the nuclear propulsion system to the national space objectives.

Source record↗

Management of optics

American Science and Engineering, Inc., designed the large X-ray optic for the HEAO-2 X-ray Telescope. The key element in this project was the High Resolution Mirror Assembly (HRMA), subcontracting the fabrication of the optical surfaces and their assembly and alignment. The roles and organization of the key participants in the creation of HRMA are defined, and the degree of interaction between the groups is described. Management of this effort was extremely complex because of the intricate weaving of responsibilities, and AS&E, as HEAO-2 Program managers, needed to be well versed in the scientific objectives, the technical requirements, the program requirements, and the subcontract management. Understanding these factors was essential for implementing both technical and management controls, such as schedule and budget constraints, in-process control, residence requirements, and scientist review and feedback. Despite unforeseen technical problems and interaction differences, the HEAO-2 was built on schedule and to specification.

Kirchner, T. E.↗