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At least 109 records · Page 6

Initial Validation of a Simulation System for Studying Interoperability in Future Air Traffic Management Systems

Future air traffic management systems will need to accommodate large numbers of increasingly diverse air vehicles with different operating paradigms. To support this trend, they will digitally share copious amounts of information via a common communication architecture. Operators will deploy programs that create and negotiate flight plans via the architecture’s communication protocols. These programs will autonomously make decisions that must be arbitrated by the architecture and robust to uncertainty. To study interoperability in air traffic management, a new airspace simulation system was composed by integrating a legacy airspace simulation, an air traffic control model, and a new research communication architecture. It was used to evaluate air traffic management concepts by adapting it to handle congested arrival traffic at Newark Liberty International Airport and executing simulations. Results demonstrated the ability of the simulation system to model in detail strategic traffic flow management, predeparture flight planning, and air traffic control working in concert. Subsequent studies can use the simulation system to study interoperability, autonomy, digital communication, and uncertainty in future air traffic management systems.

air traffic control↗

Initial Validation of a Simulation System for Studying Interoperability in Future Air Traffic Management Systems

Future air traffic management systems will need to accommodate large numbers of increasingly diverse air vehicles with different operating paradigms. To support this trend, they will digitally share copious amounts of information via a common communication architecture. Operators will deploy programs that create and negotiate flight plans via the architecture’s communication protocols. These programs will autonomously make decisions that must be arbitrated by the architecture and robust to uncertainty. To study interoperability in air traffic management, a new airspace simulation system was composed by integrating a legacy airspace simulation, an air traffic control model, and a new research communication architecture. It was used to evaluate air traffic management concepts by adapting it to handle congested arrival traffic at Newark Liberty International Airport and executing simulations. Results demonstrated the ability of the simulation system to model in detail strategic traffic flow management, predeparture flight planning, and air traffic control working in concert. Subsequent studies can use the simulation system to study interoperability, autonomy, digital communication, and uncertainty in future air traffic management systems.

air traffic control↗

Integrated System for Autonomous Science

The New Millennium Program Space Technology 6 Project Autonomous Sciencecraft software implements an integrated system for autonomous planning and execution of scientific, engineering, and spacecraft-coordination actions. A prior version of this software was reported in "The TechSat 21 Autonomous Sciencecraft Experiment" (NPO-30784), NASA Tech Briefs, Vol. 28, No. 3 (March 2004), page 33. This software is now in continuous use aboard the Earth Orbiter 1 (EO-1) spacecraft mission and is being adapted for use in the Mars Odyssey and Mars Exploration Rovers missions. This software enables EO-1 to detect and respond to such events of scientific interest as volcanic activity, flooding, and freezing and thawing of water. It uses classification algorithms to analyze imagery onboard to detect changes, including events of scientific interest. Detection of such events triggers acquisition of follow-up imagery. The mission-planning component of the software develops a response plan that accounts for visibility of targets and operational constraints. The plan is then executed under control by a task-execution component of the software that is capable of responding to anomalies.

Chien, Steve↗

MER SPICE Interface

MER SPICE Interface is a software module for use in conjunction with the Mars Exploration Rover (MER) mission and the SPICE software system of the Navigation and Ancillary Information Facility (NAIF) at NASA's Jet Propulsion Laboratory. (SPICE is used to acquire, record, and disseminate engineering, navigational, and other ancillary data describing circumstances under which data were acquired by spaceborne scientific instruments.) Given a Spacecraft Clock value, MER SPICE Interface extracts MER-specific data from SPICE kernels (essentially, raw data files) and calculates values for Planet Day Number, Local Solar Longitude, Local Solar Elevation, Local Solar Azimuth, and Local Solar Time (UTC). MER SPICE Interface was adapted from a subroutine, denoted m98SpiceIF written by Payam Zamani, that was intended to calculate SPICE values for the Mars Polar Lander. The main difference between MER SPICE Interface and m98SpiceIf is that MER SPICE Interface does not explicitly call CHRONOS, a time-conversion program that is part of a library of utility subprograms within SPICE. Instead, MER SPICE Interface mimics some portions of the CHRONOS code, the advantage being that it executes much faster and can efficiently be called from a pipeline of events in a parallel processing environment.

Sayfi, Elias↗

IMPACC: A Tightly Integrated MPI+OpenACC Framework Exploiting Shared Memory Parallelism

We propose IMPACC, an MPI+OpenACC framework for heterogeneous accelerator clusters. IMPACC tightly integrates MPI and OpenACC, while exploiting the shared memory parallelism in the target system. IMPACC dynamically adapts the input MPI+OpenACC applications on the target heterogeneous accelerator clusters to fully exploit target system-specific features. IMPACC provides the programmers with the unified virtual address space, automatic NUMA-friendly task-device mapping, efficient integrated communication routines, seamless streamlining of asynchronous executions, and transparent memory sharing. We have implemented IMPACC and evaluated its performance using three heterogeneous accelerator systems, including Titan supercomputer. Results show that IMPACC can achieve easier programming, higher performance, and better scalability than the current MPI+OpenACC model.

Kim, Jungwon↗

Evaluation of Crew-Centric Onboard Mission Operations Planning and Execution Tool: Year 2

Currently, mission planning for the International Space Station (ISS) is largely affected by ground operators in mission control. The task of creating a week-long mission plan for ISS crew takes dozens of people multiple days to complete, and is often created far in advance of its execution. As such, re-planning or adapting to changing real-time constraints or emergent issues is similarly taxing. As we design for future mission operations concepts to other planets or areas with limited connectivity to Earth, more of these ground-based tasks will need to be handled autonomously by the crew onboard.There is a need for a highly usable (including low training time) tool that enables efficient self-scheduling and execution within a single package. The ISS Program has identified Playbook as a potential option. It already has high crew acceptance as a plan viewer from previous analogs and can now support a crew self-scheduling assessment on ISS or on another mission. The goals of this work, a collaboration between the Human Research Program and the ISS Program, are to inform the design of systems for more autonomous crew operations and provide a platform for research on crew autonomy for future deep space missions. Our second year of the research effort have included new insights on the crew self-scheduling sessions performed by the crew through use on the HERA (Human Exploration Research Analog) and NEEMO (NASA Extreme Environment Mission Operations) analogs. Use on the NEEMO analog involved two self-scheduling strategies where the crew planned and executed two days of EVAs (Extra-Vehicular Activities). On HERA year two represented the first HERA campaign where we were able to perform research tasks. This involved selected flexible activities that the crew could schedule, mock timelines where the crew completed more complex planning exercises, usability evaluation of the crew self-scheduling features, and more insights into the limit of plan complexity that the crew could effectively self-schedule. In parallel we have added in new features and functionality in the Playbook tool based off of our insights from crew self-scheduling in the NASA analogs. In particular this year we have added in the ability for the crew to add, edit, and remove their own activities in the Playbook tool, expanding the type of planning and re-planning possible in the tool and opening up the ability for more free form plan creation. The ability to group and manipulate groups of activities from the plan task list was also added, allowing crew members to add predefined sets of activities onto their mission timeline. In addition we also added a way for crew members to roll back changes in their plan, in order to allow an undo like capability. These features expand and complement the initial self-scheduling features added in year one with the goal of making crew autonomous planning more efficient. As part of this work we have also finished developing the first version of our Playbook Data Analysis Tool, a research tool built to interpret and analyze the unobtrusively collected data obtained during the NASA analog missions through Playbook. This data which includes user click interaction as well as plan change information, through the Playbook Data Analysis Tool, allows us to playback this information as if a video camera was mounted over the crewmember's tablet. While the primary purpose of this tool is to allow usability analysis of crew self-scheduling sessions used on the NASA analog, since the data collected is structured, the tool can automatically derive metrics that would be traditionally tedious to achieve without manual analysis of video playback. We will demonstrate and discuss the ability for future derived metrics to be added to the tool. In addition to the current data and results gathered in year two we will also discuss the preparation and goals of our International Space Station (ISS) onboard technology demonstration with Playbook. This technology demonstration will be preformed as part of the CAST payload starting in late 2016.

onboard planning↗

TAMU: Blueprint for A New Space Mission Operations System Paradigm

The Transferable, Adaptable, Modular and Upgradeable (TAMU) Flight Production Process (FPP) is a System of System (SOS) framework which cuts across multiple organizations and their associated facilities, that are, in the most general case, in geographically disperse locations, to develop the architecture and associated workflow processes of products for a broad range of flight projects. Further, TAMU FPP provides for the automatic execution and re-planning of the workflow processes as they become operational. This paper provides the blueprint for the TAMU FPP paradigm. This blueprint presents a complete, coherent technique, process and tool set that results in an infrastructure that can be used for full lifecycle design and decision making during the flight production process. Based on the many years of experience with the Space Shuttle Program (SSP) and the International Space Station (ISS), the currently cancelled Constellation Program which aimed on returning humans to the moon as a starting point, has been building a modern model-based Systems Engineering infrastructure to Re-engineer the FPP. This infrastructure uses a structured modeling and architecture development approach to optimize the system design thereby reducing the sustaining costs and increasing system efficiency, reliability, robustness and maintainability metrics. With the advent of the new vision for human space exploration, it is now necessary to further generalize this framework to take into consideration a broad range of missions and the participation of multiple organizations outside of the MOD; hence the Transferable, Adaptable, Modular and Upgradeable (TAMU) concept.

Ruszkowski, James T.↗

Design fabrication, testing, and delivery of shuttle heat pipe leading edge test modules. Volume 1: Executive summary

The construction of two test modules is presented for a feasibility demonstration of a concept for reusable space shuttle wing leading edge surfaces. In this leading edge concept high temperature heat pipes were incorporated into the structure to cool the stagnation region, allowing the use of super-alloys in place of refractory metal, ablator protected, or carbon-carbon structures. The program included the analysis and design of the heat pipes, their integration into the test module structure, heat pipe development testing, construction of the test modules and a facility adapter, and formulation of recommended testing conditions. The results of the heat pipe and leading edge module thermal analyses indicate the test modules will meet the design goal; reducing the leading edge temperature at the stagnation line from 1315 C (2400 F) to less than 1010 C (1850 F). The development tests demonstrated that the module assembly could be brazed with active heat pipes, as was borne out by the subsequent successful brazing of both modules with active heat pipes loaded with sodium.

Source record↗

CSRI Summer Proceedings 2020

The Computer Science Research Institute (CSRI) brings university faculty and students to Sandia for focused collaborative research on Department of Energy (DOE) computer and computational science problems. The institute provides an opportunity for university researchers to learn about problems in computer and computational science at DOE laboratories. Participants conduct leading-edge research, interact with scientists and engineers at the laboratories, and help transfer results of their research to programs at the labs. Some specific CSRI research interest areas are: scalable solvers, optimization, adaptivity and mesh refinement, graph-based, discrete, and combinatorial algorithms, uncertainty estimation, mesh generation, dynamic load-balancing, virus and other malicious-code defense, visualization, scalable cluster computers, data-intensive computing, environments for scalable computing, parallel input/output, advanced architectures, and theoretical computer science. The CSRI Summer Program is organized by CSRI and typically includes the organization of a weekly seminar series and the publication of a summer proceedings. In 2020, the CSRI summer program was executed completely virtually; all student interns worked from home, due to the COVID-19 pandemic.

97 MATHEMATICS AND COMPUTING↗

Automating the Processing of Earth Observation Data

NASA s vision for Earth science is to build a "sensor web": an adaptive array of heterogeneous satellites and other sensors that will track important events, such as storms, and provide real-time information about the state of the Earth to a wide variety of customers. Achieving this vision will require automation not only in the scheduling of the observations but also in the processing of the resulting data. To address this need, we are developing a planner-based agent to automatically generate and execute data-flow programs to produce the requested data products.

Golden, Keith↗

Automated Data Processing as an AI Planning Problem

NASA s vision for Earth Science is to build a "sensor web"; an adaptive array of heterogeneous satellites and other sensors that will track important events, such as storms, and provide real-time information about the state of the Earth to a wide variety of customers. Achieving his vision will require automation not only in the scheduling of the observations but also in the processing af tee resulting data. Ta address this need, we have developed a planner-based agent to automatically generate and execute data-flow programs to produce the requested data products. Data processing domains are substantially different from other planning domains that have been explored, and this has led us to substantially different choices in terms of representation and algorithms. We discuss some of these differences and discuss the approach we have adopted.

Golden, Keith↗

Data Locality Enhancement of Dynamic Simulations for Exascale Computing (Final Report)

The development of modern processors exhibits two trends that complicate the optimizations of modern software. The first is the increasing sensitivity of processors' throughput to irregularities in computation. With more processors produced through a massive integration of simple cores, future systems will increasingly favor regular data-level parallel computations, but deviate from the needs of applications with complex patterns. Some evidences are already shown on Graphic Processing Units (GPU): Irregular data accesses (e.g., indirect references A[D[i]]) and conditional branches are limiting many GPU applications' performance at a level an order of magnitude lower than the peak of GPU. The second hardware trend is the growing gap between memory bandwidth and the aggregate speed—that is, the sum of all cores' computing power—of a Chip Multiprocessor (CMP). Despite the capped growth of the peak CPU speed, the aggregate speed of a CMP keeps increasing as more cores get into a single chip. It is expected that by 2018, node concurrency in an exascale system will increase by hundreds of times, whereas, memory bandwidth will expand by only 10 to 20 times. Consequently, data movement and storage is expected to consume more than 70% of the total system power. Bridging this gap is difficult; the complexities of modern CMP memory hierarchy make it even harder: Data cache becomes shared among computing units, and the sharing is often non-uniform—whether two computing units share a cache depends on their proximity and the level of the cache. On the recent IBM Power7 architecture, for instance, four hardware contexts (or SMT threads) in a core share the entire memory hierarchy, all cores in one chip share an on-chip L3 cache, and cores across chips share L3 and main memory through off-chip connections. These two trends complicate the translation of computing power into performance, especially for a program with either intensive data accesses or complex patterns in data accesses or control flow paths. Unfortunately, both attributes present and will persist in a class of important applications. For instance, many scientific simulations deal with a large volume of data. And meanwhile, as most real-world processes are non-uniform and evolving (e.g., the evolution of a galaxy or the process of a drug injection), both the computations and data accesses of these programs tend to be irregular and dynamically changing. Currently, the lack of support to these applications on modern CMP severely limits their performance. On GPU, as our recent study shows and other studies echo, performance enhancement of a factor of integers is possible when memory accesses or control flows are streamlined for a set of GPU applications. On multicore CPU, our studies show that traditional locality enhancement, for being oblivious to the new features of multicore memory hierarchy, may even cause large slowdown to data-intensive dynamic applications. The severity of the issues is expected to worsen as the two hardware trends continue. Some recent studies try to match software with the trends, but in a limited scope or manner. For irregularities on GPU, most studies focus on irregularities analyzable through static analysis (e.g., data accesses in regular loops). Dynamic irregularities are harder to address because the needed analysis and transformations typically have to happen at run time. Some other research resorts to hardware extensions, an actual adoption of which is unclear for the entailed space cost and complexity. For data locality, recent years have seen some exploitations of the new memory hierarchy on multicore for performance, but most of them are on process or thread scheduling, rather than program transformations. Our recent study reveals that program-level transformations may magnify the scheduling benefits by a factor of seven, concluding that program-level transformation should play a central role for data locality enhancement on modern CMP. But research in this direction has been sparse, and most have focused on data layout or cache performance modeling, rather than program transformations to match with the new memory hierarchy features. Overall, it is still an open question how to bridge the gap between dynamic computations and the two prominent properties of modern processors. The goal of this project is to develop a set of techniques and software tools to enhance the matching between memory accesses in dynamic simulations and the prominent features of modern and future CMP, alleviating the memory performance issues for petascale and exascale computing. This report summarizes the discoveries and products produced throughout this project. It includes free launch, a new software approach to overcoming the shortcomings of both methods; coherence-free multiview, an approach that allows multiple views of a single data object to co-exist on GPU memory during a GPU kernel execution; algorithmic optimizations to data analytics problems, especially those that involve lots of distance calculations. Supporting dynamic parallelism is important for GPU to benefit a broad range of applications. There are currently two fundamental ways for programs to exploit dynamic parallelism on GPU: a software-based approach with software-managed worklists, and a hardware-based approach through dynamic subkernel launches. Neither is satisfactory. The former is complicated to program and is often subject to some load imbalance; the latter suffers large runtime overhead. In this work, we propose free launch, a new software approach to overcoming the shortcomings of both methods. It allows programmers to use subkernel launches to express dynamic parallelism. It employs a novel compiler-based code transformation named subkernel launch removal to replace the subkernel launches with the reuse of parent threads. Coupled with an adaptive task assignment mechanism, the transformation reassigns the tasks in the subkernels to the parent threads with a good load balance. The technique requires no hardware extensions, immediately deployable on existing GPUs. It keeps the programming convenience of the subkernel launch-based approach while avoiding its large runtime overhead. Meanwhile, its superior load balancing makes it outperform manual worklist-based techniques by 3X on average. The work was published at the 48th Annual IEEE/ACM International Symposium on Microarchitecture (Micro'2015). A Graphic Processing Unit (GPU) system is typically equipped with many types of memory (e.g., global, constant, texture, shared, cache). Data placement determines what data are placed on which type of memory, essential for GPU memory performance. Prior optimizations of data placement always require a single view of a data object on memory, which limits the optimization effectiveness. In this work, we propose coherence-free multiview, an approach that allows multiple views of a single data object to co-exist on GPU memory during a GPU kernel execution. We demonstrate that under certain conditions, the multiple views can remain incoherent while facilitating enhanced data placement. We present a theorem and some compiler support to ensure the soundness of the usage of coherence-free multiview. We further develop reference-discerning data placement, a new way to enhance data placements on GPU. It enables more flexible data placements by using coherence-free multiview to leverage the slack in coherence requirement of some GPU programs. Experiments on three types of GPU systems show that, with less than 200KB space cost, the new data placement technique can provide a 1.6X average (up to 4.27X) speedup. In addition, we have examined algorithmic optimizations to data analytics problems, especially those that involve lots of distance calculations. Computing distances among data points is an essential part of many important algorithms in data analytics, graph analysis, and other domains. In each of these domains, developers have spent significant manual effort optimizing algorithms, often through novel applications of the triangle equality, in order to minimize the number of distance computations in the algorithms. In this work, we observe that many algorithms across these domains can be generalized as an instance of a generic distance-related abstraction. Based on this abstraction, we derive seven principles for correctly applying the triangular inequality to optimize distance-related algorithms. Guided by the findings, we develop Triangular OPtimizer (TOP), the first software framework that is able to automatically produce optimized algorithms that either matches or outperforms manually designed algorithms for solving distance-related problems. TOP achieves up to 237x speedups and 2.5X on average. The work has been published at the 32nd International Conference on Machine Learning (ICML'15) and the 41st International Conference on Very Large Data Bases (VLDB'15).

42 ENGINEERING↗

Reinforcement Learning for Load-balanced Parallel Particle Tracing

We explore an online reinforcement learning (RL) paradigm to dynamically optimize parallel particle tracing performance in distributed-memory systems. Our method combines three novel components: (1) a work donation algorithm, (2) a high-order workload estimation model, and (3) a communication cost model. First, we design an RL-based work donation algorithm. Our algorithm monitors workloads of processes and creates RL agents to donate data blocks and particles from high-workload processes to low-workload processes to minimize program execution time. The agents learn the donation strategy on the fly based on reward and cost functions designed to consider processes' workload changes and data transfer costs of donation actions. Second, we propose a workload estimation model, helping RL agents estimate the workload distribution of processes in future computations. Third, we design a communication cost model that considers both block and particle data exchange costs, helping RL agents make effective decisions with minimized communication costs. We demonstrate that our algorithm adapts to different flow behaviors in large-scale fluid dynamics, ocean, and weather simulation data. Our algorithm improves parallel particle tracing performance in terms of parallel efficiency, load balance, and costs of I/O and communication for evaluations with up to 16,384 processors.

Distributed and parallel particle tracing↗

GIS-Based Modeling of Contaminated Soil Volumes at Multiple Sites in the Formerly Utilized Sites Remedial Action Program - 20149

The remediation of hazardous, toxic, and radioactive waste (HTRW) sites produces cost-related risks associated with the estimation of contaminated soil or debris volumes. Historical risk-management techniques include cost contingencies to cover volume uncertainties that affect project budgeting and decision-making. The Buffalo District teamed with project partners to lessen volume uncertainty and reduce project risks at multiple HTRW sites managed under the Formerly Utilized Sites Remedial Action Program (FUSRAP). Historical remedial investigations under FUSRAP commonly identified the presence of radiological material in site media, the associated human health risk, and then areas of remediation. To manage remedial execution and reduce risk, pre-design or remediation-phase sampling essentially 'chased' contamination, which was not conducive to efficient predictive budgeting derived from Feasibility Study (FS) cost analyses. The Buffalo District first optimized their approach to better understand volume uncertainty by utilizing the Argonne National Laboratory's Bayesian Approaches for Adaptive Spatial Sampling (BAASS) software [1]. BAASS processed soft data (e.g., gamma walk-over data) and spatial sampling data to estimate the lateral extent of contaminated soil irrespective of depth (i.e., gross contamination extent) and define areas of contaminant uncertainty. The software performed a binary transformation of contaminant concentrations at all sampling points based upon remedial action goals or a sum of ratios approach (i.e., clean, impacted, or range of impacts in soil). The model produced two-dimensional (horizontal) contaminant probability contours and statistical uncertainty in the sampling coverage and resulting contaminant extents. This method was translated vertically by partitioning the sampling data into depth brackets that produced a stacked representation of contaminant extents and uncertainty in the subsurface (i.e., similar to construction lifts). The results commonly led to a better understanding of project uncertainty and the need for sampling strategies that produce high-confidence soil volumes, which control costs. The BAASS-based delineations were eventually replaced by Empirical Bayesian Kriging (EBK) methods available in ArcGIS Spatial or 3D Analysts [2]. The EBK method calculates contaminant probability zones derived from user-controlled semivariograms of the spatial datasets. The resulting probability zones (e.g., 50% or 80% of contaminant probability) represent the two-dimensional surface delineation of the overall horizontal remedial area, similarly to BAASS. However, unlike BAASS, the vertical sampling data within these probability zones became vertical control points to contour a subterranean surface that connects subsurface points to the land-surface delineations of contamination. The resulting representation of horizontal and vertical impacts within an enclosed envelop (volume) of soil included uncertainty distributions that are used to plan uncertainty-reduction sampling. These data-driven and math-based models of three-dimensional sampling results produced well-bounded remedial volumes for project planning and better uncertainty predictions during project budgeting. The EBK method was applied to several FUSRAP sites managed by the Buffalo District and compared to less rigorously modeled sites previously remediated by the District. The comparison of modeled to actual remediated volumes provide a basis for validating the volume-estimation method. This comparison is important to ensure modeled volumes match physical boundaries of site remediation. FUSRAP sites with denser investigative sampling and lesser volume uncertainty proved useful in remedial planning and contracting. The Buffalo District noted that historical sites with sparser sampling arrays had greater disparity between estimated volumes and final remedial volumes. The benefit achieved over the cost of detailed soil sampling appears positive for FUSRAP projects, especially where impacts vary widely and appear unbounded by investigation-phase sampling. The subsequent Empirical Bayesian Kriging of contamination coupled with vertical contouring for soil estimations reduces uncertainty in soil volumes or indicates where sampling is required to reduce uncertainty, which together optimize remedial planning and budgeting. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

High-Performance Computing Optimization for Aladyn – Adaptive Neural Network Molecular Dynamics Mini-Application

This report provides a description and performance evaluation of the optimization techniques for high performance computing (HPC) implementation of the open source Computational Materials mini-application Aladyn (https://github.com/nasa/aladyn). Aladyn is a basic molecular dynamics code written in FORTRAN 2003, which is designed to demonstrate the use of adaptive neural networks (ANNs) in atomistic simulations. The role of ANNs is to efficiently reproduce the very complex energy landscape resulting from the atomic interactions in materials with the accuracy of the more expensive quantum mechanics-based calculations. The ANN is trained on a large set of atomic structures calculated using the density functional theory (DFT) method. While achieving orders of magnitude faster computational performance than DFT, the ANN-based approach was still very computationally demanding compared to the conventional approach of using empirically fitted energy functions. After its initial development, Aladyn was evaluated and optimized by experts at the NASA Advanced Supercomputing (NAS) division to exploit modern supercomputer architectures. The code has been optimized for execution on multicore central processing units (CPUs), including Intel® Skylake microarchitecture, and on graphic accelerators, such as Nvidia® V100 graphic processing units (GPUs), using Open Multi-Processing (OpenMP) and Open Accelerators (OpenACC) programming interfaces. The optimization achieved a speedup of 4.7 times the baseline version on CPU performance and an additional 2.4 times on CPU+GPU performance. Atomistic computer simulations are a fundamental tool in materials research to model material properties form physics-based first principles. Atomic interaction, governed by Quantum Mechanics (QM) require sophisticated and highly computationally demanding mathematical models to calculate [1]. Classical methods use approximate functional forms, empirically fitted through a set of variable parameters to emulate atomic energies as direct functions of atomic coordinates [2]. While empirical potentials are computationally much simpler, allowing simulations of large-scale systems of up to a trillion (1012) atoms [3], they are substantially less accurate compared to quantum calculations and applicable only to very specific atomic configurations or predefined crystallographic phases. A recently suggested approach is to use heuristic machine learning methods [4], such as those based on Adaptive Neural Networks (ANNs) to predict atomic energies, after being trained on a sufficiently large database of QM-calculated structures [5,6]. This approach reduces significantly the computational complexity, allowing for simulations of orders of magnitude larger systems compared to QM-based methods without compromising accuracy. Still, compared to classical methods using empirical energy functions, ANN methods remain two- to three orders of magnitude more computationally demanding. Hence, the computational cost of simulations, together with the need for extensive training of ANNs, still makes the practical implementation of ANN-based methods quite challenging. The purpose of the Aladyn mini-application software [7], available as open source at https://github.com/nasa/aladyn, is to be a testbed for exploring possible optimization strategies to develop highly scalable parallel algorithms for ANN-based atomistic simulations. Aladyn is aimed at utilizing the architecture of the high-end modern highperformance computing (HPC) hardware based on multicore central processing units (CPUs) equipped with graphic processing unit (GPU) accelerators. Specifically, the goal is to optimize the performance on a single HPC compute node, before implementing scaling to multi-node parallelization using message passing interface (MPI). At the same time, the open source code of Aladyn can serve as a training model for students and professors in academia.

Yamakov, Vesselin I.↗

Space Transformation -- Localizing the Remote and Connecting the Isolated

In motivating the Space Transformation theme for this year’s 4S symposium, the organizers provided the following context, “Transformation of economies are driven by a change in values and accelerated by new technologies.” These words rang particularly true when I read them at the beginning of the holiday season. Like so many others, I was in the early phases of my Christmas shopping procrastination campaign, and I’d just been reflecting on how Amazon Prime was the transformational tool I’d been waiting for. Basic limiting principles of time and space, supply and demand, were all but erased by the Amazon Prime phenomenon. Coupled with emerging 3D printing and other adaptive manufacturing technologies, a transformation from deliberate planning to “think it … have it” had occurred, empowering me to procrastinate longer than I’d ever dreamed possible. The organizers went on to ponder, “Will space transformation also affect society?”, just as our team at the Air Force Research Lab’s (AFRL) Center for Rapid Innovation (CRI) were working alongside partners within our larger Integrated Capabilities Directorate, NASA’s Flight Opportunities and Small Spacecraft Technology programs, and DARPA’s Luna-10 program to develop technologies and execute demonstration missions that leverage the space domain to genuinely connect even the most remote and austere domains on the timeline of need. Picking apart the miracle that is Amazon prime, where does the model fail, and why? More relevantly to the theme of this year’s symposium, how can the space domain be used to overcome its limitations and minimize its weaknesses? Perhaps it is best assessed in the context of Use Cases. What are the Amazon delivery cost, schedule, and cargo limiters to the Amundsen-Scott South Pole Research Station, or the Lunar South Pole Research Station? This paper will explore enabling infrastructure that allows Amazon prime to thrive and assess the transformational enabling technologies that would be necessary to extend that miracle to the truly remote or the truly austere. Localizing the Remote • First, it will evaluate the ability of the on-going AFRL Rocket Cargo and Space Initiatives Ringside Seats systems, coupled with Astrobotic’s Xodiak and Xogdor capabilities, developed to support the NASA Flight Opportunities Program (FOP), to supply orbital/suborbital delivery to both improved and austere sites on the Earth and Moon. • Then, it will add the surface terminal distribution leg, with an examination of Lunar Outpost’s Mobile Autonomous Prospecting Platform (MAPP), equipped with Mobile Autonomous Robotic Swarm (MARS) software, and Intuitive Machine’s Hopper, developed with support of AFRL and NASA’s Commercial Lunar Payload Services (CLPS) program. Connecting the Isolated From there, it will focus on the destination, asking what implied destination services are required to support highly assured autonomous delivery. • Specifically, it will highlight Astrobotic’s Skymage mesh-networked publish and subscribe communication and navigation service, as well as AFRL’s on-going developments of radioisotope and reactor nuclear-sourced thermoelectric power generation and distribution systems under development under the Joint Emergent Technology Supplying On-orbit Nuclear Power (JETSON) program by Lockheed Martin, Westinghouse, Intuitive Machines, and Zeno Power, to provide the power service to locations well off the grid. • Finally, the paper will connect to the “human machine”. What connects the remote or in-situ human consumer to the remote domain? What connects the diverse international government and commercial services to each other? The former will focus on AFRL’s OraCloud feeding their Space Defense Control and Characterization System (SDCCS) and Lunar Station’s MoonHacker systems, while the latter will focus on the BlueHalo/Tensor LunX Technology Platform for the Cislunar Commodity Marketplace. In 1984, Krafft Ehricke famously remarked that, “If God wanted man to become a spacefaring species, He would have given man a Moon.” This paper is not about the Moon, but is about humans as a spacefaring species, shedding the pesky land/air limitations of the Amazon Prime model … so that we can all live a procrastinator’s “think it … have it” existence.

Charles Finley↗

Software For Numerically Controlled Machining

APT (Automatically Programmable Tools) system represents an adaptation, with enhancements, of public-domain version of APT IV/SSX8 to DEC VAX-11/780 computer for use by Engineering Services Division of NASA Goddard Space Flight Center. Enhancements include super pocket feature, which allows concave polygon pockets. Recent modifications include expansion of sizes of arrays and buffers to accommodate larger part programs, insertion of user-friendly error messages, and correction of programming errors that affect POCKET command and some of sculptured-surface commands (notably SSURF and SCURV). Consists of four components: translator, execution complex, subroutine library, and CL editor. Written in FORTRAN 77.

Premo, D. A.↗

Modeling efficient and equitable distribution of COVID-19 vaccines

Producing and distributing COVID-19 vaccine during the pandemic is a major logistical challenge requiring careful planning and efficient execution. This report presents information on logistical, policy and technical issues relevant to rapidly fielding a COVID-19 vaccination program. For this study we (a) conducted literature review and subject matter expert elicitation to understand current vaccine manufacturing and distribution capabilities and vaccine allocation strategies, (b) designed a baseline vaccine distribution strategy and modeling strategy to provide insight into the potential for targeted distribution of limited initial vaccine supplies, and (c) developed parametric interfaces to enable vaccine distribution scenarios to be analyzed in depth with Sandias Adaptive Recovery Model that will allow us evaluate the additional sub- populations and alternative distribution scenarios from a public health benefit and associated economic disruption Principal issues, challenges, and complexities that complicate COVID-19 vaccine delivery identified in our literature and subject matter expert investigation include these items: The United States has not mounted an urgent nationwide vaccination campaign in recent history. The existing global manufacturing and distribution infrastructure are not able to produce enough vaccine for the population immediately. Vaccines, once available will be scarce resources. Prioritization for vaccine allocation will be built on existing distribution networks. Vaccine distribution may not have a universal impact on disease transmission and morbidity because of scarcity, priority population demographics, and underlying disease transmission rates. Considerations for designing a vaccine distribution strategy are discussed. A baseline distribution strategy is designed and tested using the Adaptive Recovery Model, which couples a deterministic compartmental epidemiological model and a stochastic network model. We show the impact of this vaccine distribution strategy on hospitalizations, mortality, and contact tracing requirements. This model can be used to quantitatively evaluate alternative distribution scenarios, guiding policy decisions as vaccine candidates are narrowed down.

59 BASIC BIOLOGICAL SCIENCES↗