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At least 1,153 records · Page 64

Automatic Identification of Application I/O Signatures from Noisy Server-Side Traces

Competing workloads on a shared storage system cause I/O resource contention and application performance vagaries. This problem is already evident in today s HPC storage systems and is likely to become acute at exascale. We need more interaction between application I/O requirements and system software tools to help alleviate the I/O bottleneck, moving towards I/O-aware job scheduling. However, this requires rich techniques to capture application I/O characteristics, which remain evasive in production systems. Traditionally, I/O characteristics have been obtained using client-side tracing tools, with drawbacks such as non-trivial instrumentation/development costs, large trace traffic, and inconsistent adoption. We present a novel approach, I/O Signature Identifier (IOSI), to characterize the I/O behavior of data-intensive applications. IOSI extracts signatures from noisy, zero-overhead server-side I/O throughput logs that are already collected on today s supercomputers, without interfering with the compiling/execution of applications. We evaluated IOSI using the Spider storage system at Oak Ridge National Laboratory, the S3D turbulence application (running on 18,000 Titan nodes), and benchmark-based pseudo-applications. Through our ex- periments we confirmed that IOSI effectively extracts an application s I/O signature despite significant server-side noise. Compared to client-side tracing tools, IOSI is transparent, interface-agnostic, and incurs no overhead. Compared to alternative data alignment techniques (e.g., dynamic time warping), it offers higher signature accuracy and shorter processing time.

Liu, Yang↗

Enterprise Risks for Scientific Software in the Post Exascale Era

The Department of Energy’s Office of Science’s Advanced Scientific Computing Research (ASCR) Office hosts three high performance computing Facilities and one high performance networking Facility. ASCR’s Facilities Division and these four Facilities established a joint working group to address the most severe threats to the software capabilities that can prevent the Facilities from supporting a diverse array of mission critical scientific research carried out by thousands of researchers from national labs, academia, and industry. This report outlines the risk categories, threat matrix calculations, and number of risks in each of the categories along with the threat levels. Two categories—programming environment/tools and system software—account for 13 out of the 20 risks encountered in the risk register. A significant risk to ASCR’s software ecosystem also arises from the possible loss of personnel and expertise past the end of the exascale computing project. The working group recommends that the software enterprise risks are reevaluated regularly, and are considered in future decision making regarding system acquisition, knowledge sharing, partnership development, and strategic planning

97 MATHEMATICS AND COMPUTING↗

Automating crystallographic structure solution and refinement of protein–ligand complexes

A software system for automated protein–ligand crystallography has been implemented in the Phenix suite. This significantly reduces the manual effort required in high-throughput crystallographic studies. High-throughput drug-discovery and mechanistic studies often require the determination of multiple related crystal structures that only differ in the bound ligands, point mutations in the protein sequence and minor conformational changes. If performed manually, solution and refinement requires extensive repetition of the same tasks for each structure. To accelerate this process and minimize manual effort, a pipeline encompassing all stages of ligand building and refinement, starting from integrated and scaled diffraction intensities, has been implemented in Phenix. The resulting system is able to successfully solve and refine large collections of structures in parallel without extensive user intervention prior to the final stages of model completion and validation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A large scale second generation experiment in multi-version software - Description and early results

The Second-Generation Experiment is a large-scale empirical study of the development and operation of multiversion software systems that has engaged researchers at five universities and three research institutes. This paper presents the history and current status of this experiment. A preliminary analysis of the multiple software versions has been performed and is reported here.

Kelly, John P. J.↗

Integrated Modeling Environment

The Integrated Modeling Environment (IME) is a software system that establishes a centralized Web-based interface for integrating people (who may be geographically dispersed), processes, and data involved in a common engineering project. The IME includes software tools for life-cycle management, configuration management, visualization, and collaboration.

Mosier, Gary↗

VERIFICATION MEASUREMENTS OF THE MASS AND ENRICHMENT OF URANIUM OXIDE CARD SOURCES

Measurements were performed to determine the mass and enrichment of 10 uranium oxide (U3O8) card sources. The measurements and analysis were completed as a verification of the card sources in support of Oak Ridge National Laboratory’s nuclear material control and accountability program. Although these cards are not nationally accredited as a nuclear standard, they are used as a working reference for measurements, such as holdup. The uranium card source measurements were taken with a broad energy germanium detector and the Genie 2000 Gamma Acquisition and Analysis software. A complete characterization of each of the 10 uranium card sources was performed using the 4 characteristic full energy peaks of 235U. Using the In Situ Object Counting System software to determine the mathematical efficiency of the measurement, the mass of 235U in each card was determined. The 235U mass in each card ranged from 10.42 to 12.63 g with a systematic error between 0.76 and 0.95 g and a random error of 0.01 g for each card source. The Multi-Group Analysis for Uranium (MGAU) software and the Fixed-Energy, Response Function Analysis with Multiple Efficiency (FRAM) isotopic analysis software were used to determine the isotopic composition of the uranium cards. The measured enrichment was compared to the declared enrichment for each card, with uncertainties ranging from 2.7% to 4.3% for the MGAU analysis and 2.3% to 4.1% for the FRAM analysis. This is a good example of how a well-benchmarked mathematical calibration method can be useful in characterizing uranium sources.

Hunneke, Rachel↗

DSN system performance test software

The software support group of the Deep Space Network support section is continuing the development of system performance test (SPT) software for the Deep Space Network. During the past two and one-half years, test software was developed for a new system, Radio Science, and many new features were added to existing software. Plans are underway for implementation of test software for the very long baseline interferometry system and the network data processing area. A description of the elements of the SPT software is provided.

Leppla, F. B.↗

GRAPEVINE: Grids about anything by Poisson's equation in a visually interactive networking environment

A proven 3-D multiple-block elliptic grid generator, designed to run in 'batch mode' on a supercomputer, is improved by the creation of a modern graphical user interface (GUI) running on a workstation. The two parts are connected in real time by a network. The resultant system offers a significant speedup in the process of preparing and formatting input data and the ability to watch the grid solution converge by replotting the grid at each iteration step. The result is a reduction in user time and CPU time required to generate the grid and an enhanced understanding of the elliptic solution process. This software system, called GRAPEVINE, is described, and certain observations are made concerning the creation of such software.

Sorenson, Reese L.↗

Onboard Sensor Data Qualification in Human-Rated Launch Vehicles

The avionics system software for human-rated launch vehicles requires an implementation approach that is robust to failures, especially the failure of sensors used to monitor vehicle conditions that might result in an abort determination. Sensor measurements provide the basis for operational decisions on human-rated launch vehicles. This data is often used to assess the health of system or subsystem components, to identify failures, and to take corrective action. An incorrect conclusion and/or response may result if the sensor itself provides faulty data, or if the data provided by the sensor has been corrupted. Operational decisions based on faulty sensor data have the potential to be catastrophic, resulting in loss of mission or loss of crew. To prevent these later situations from occurring, a Modular Architecture and Generalized Methodology for Sensor Data Qualification in Human-rated Launch Vehicles has been developed. Sensor Data Qualification (SDQ) is a set of algorithms that can be implemented in onboard flight software, and can be used to qualify data obtained from flight-critical sensors prior to the data being used by other flight software algorithms. Qualified data has been analyzed by SDQ and is determined to be a true representation of the sensed system state; that is, the sensor data is determined not to be corrupted by sensor faults or signal transmission faults. Sensor data can become corrupted by faults at any point in the signal path between the sensor and the flight computer. Qualifying the sensor data has the benefit of ensuring that erroneous data is identified and flagged before otherwise being used for operational decisions, thus increasing confidence in the response of the other flight software processes using the qualified data, and decreasing the probability of false alarms or missed detections.

Wong, Edmond↗

Autonomous Ocean World Exploration: Advancement of a Virtual Testbed

The search for life (extinct or extant) and potentially habitable bodies in our solar system and beyond is one of the 12 priority science questions outlined in the National Acadamies’ 2022 decadal survey [5]. Extraterrestrial destinations containing liquid water present an opportunity to search for life as we know it, and in recent years an increasing number of such locations have been discovered within our solar system. Several Jovian moons—Europa, Ganymede, and Callisto [10]—and the Saturnian moons Enceladus [8] and Titan [9] are known or suspected to harbor massive subsurface oceans. Of these "ocean worlds", Europa is the focus of at least one planned NASA orbiter mission, Europa Clipper [4], and an early lander mission concept, the Europa Lander [2, 3]. Whereas most robotic missions to the Moon and Mars (e.g. orbiters, rovers, landers) to date have had ground controllers on Earth tightly involved in mission operations, missions to more distant worlds will require a high degree of onboard autonomy due to long communication lags and blackouts, harsh environments (radiation, cold), and more limited battery and hardware life. The past decade has seen great advances in both AI technologies and computing scalability and performance that offer promising solutions for spacecraft autonomy and motivate the software system and research programs described in this paper. The Ocean Worlds Autonomy Testbed for Exploration, Research, and Simulation (OceanWATERS) [1], which has been in development at the NASA Ames Research Center since 2018, is a virtual environment for testing lander autonomy solutions. It is built on the Robot Operating System (ROS), runs on consumer-grade Linux workstations, and was released as open source in 2020. OceanWATERS provides a physical and visual simulation of a prototypical lander in a Europa-like environment (Figure 1). The lander was modeled after requirements and specifications made in JPL’s Europa Lander Study of 2016 [3]. Simulated lander systems include stereo cameras and spotlights mounted on an antenna mast that pans and tilts, a 6 degrees of freedom (DoF) robotic arm with a force-torque sensor and two interchangeable end effectors, and a battery pack power system. The environment consists of multiple terrain models including a highly detailed model sourced from the FROST dataset [11], simulation of surrounding planetary bodies based on an ephemeris model, and lighting from the sun with associated surface illumination, reflectance, and shadows. Operations supported by OceanWATERS include panoramic and directed imaging of the environment and lander workspace, Cartesian and joint-level arm commanding, grinding of the terrain surface (e.g. digging a trench), and scooping of ground material (Figure 2) which can be discarded or collected as science samples in a receptacle that can be emptied (science operations themselves are not simulated). These operations are realized as ROS Actions and are complimented by a wide selection of telemetry that is continually produced by each lander subsystem. The power system model is driven by the open-source Generic Software Architecture for Prognostics (GSAP) [11] that predicts the battery’s remaining useful life and other characteristics. As a testbed for high-level autonomy, OceanWATERS provides an execution framework based on PLEXIL [12], an open-source plan specification language and execution engine developed largely at Ames. NASA's initial development of OceanWATERS, as well the Ocean Worlds Lander Autonomy Testbed (OWLAT) [6], a complimentary physical testbed developed at JPL, was the first step in a plan for realizing candidate onboard autonomy solutions for such planetary landers. In 2020 NASA solicited applications for its Autonomous Robotics Research for Ocean Worlds (ARROW) program, and in 2021 the similar Concepts for Ocean worlds Life Detection Technology (COLDTech) program. Collectively six research teams, based in universities and companies across the United States, were awarded grants to develop and demonstrate autonomy solutions on OceanWATERS and OWLAT. These 1–2-year projects have now finished or are nearing completion, and a wide variety of autonomy challenges in ocean world surface missions were addressed. Prototyped and demonstrated solutions have included autonomous discovery, response and adaptation to system faults and unexpected environmental events, world model synthesis through perception, plan synthesis using learned models, methods to optimize sample target selection and prioritize science data transmission, extension of PLEXIL for stochastic decision-making, and an integration of a model of JPL’s mission-ready COLDArm [7]. Technologies used in these projects include many forms of machine learning, causal reasoning, automated planning, Markov decision processes, formal methods, and other advanced techniques. A more detailed summary of the ARROW and COLDTech projects is given herein. OceanWATERS has had significant enhancements since its open-source release in 2020. Many of its new features were driven or shaped by feedback from the ARROW and COLDTech teams and requirements of their projects. In support of enabling autonomous adaptation to spacecraft faults (a specific capability solicited by both programs), a fault injection and detection framework was developed that supports a wide and growing range of fault types such as locked joints, image loss, and battery failures. The power system model was completed and integrated into the simulator, starting as a single-cell battery model and later upgraded to a multi-cell model with associated faults such as cell disconnection. Arm/terrain interaction was improved by adding a force-torque sensor and associated faults, and an analytic dig force model based on the Balovnev bucket force equations. Environment fidelity was increased by modeling terrain deformation resulting from digging and scooping; visual improvements were made in textures, lighting, and shadows. To facilitate interoperation with OWLAT, a unified command and telemetry interface between the testbeds was developed at the ROS level, along with a PLEXIL interface. The number of lander operations was greatly expanded (e.g. with Cartesian-based arm and antenna movement), and a framework was designed for users to build their own lander actions. A GUI for PLEXIL plan selection was created (Figure 3), and an expansive set of plans were added, such as those that illustrate patterns for fault handling. This paper provides a self-contained high-level description of OceanWATERS, focusing on more detailed coverage of the aforementioned enhancements. It provides a high-level summary of the projects undertaken by participants in the ARROW and COLDTech programs and how these efforts have helped shape OceanWATERS. Finally, potential future work and directions for the testbed are listed, as likely informed by the recent planetary science decadal survey [5].

K Michael Dalal↗

Efficient Heterogeneous Execution on Large Multicore and Accelerator Platforms: Case Study Using a Block Tridiagonal Solver

The algorithmic and implementation principles are explored in gainfully exploiting GPU accelerators in conjunction with multicore processors on high-end systems with large numbers of compute nodes, and evaluated in an implementation of a scalable block tridiagonal solver. The accelerator of each compute node is exploited in combination with multicore processors of that node in performing block-level linear algebra operations in the overall, distributed solver algorithm. Optimizations incorporated include: (1) an efficient memory mapping and synchronization interface to minimize data movement, (2) multi-process sharing of the accelerator within a node to obtain balanced load with multicore processors, and (3) an automatic memory management system to efficiently utilize accelerator memory when sub-matrices spill over the limits of device memory. Results are reported from our novel implementation that uses MAGMA and CUBLAS accelerator software systems simultaneously with ACML for multithreaded execution on processors. Overall, using 940 nVidia Tesla X2090 accelerators and 15,040 cores, the best heterogeneous execution delivers a 10.9-fold reduction in run time relative to an already efficient parallel multicore-only baseline implementation that is highly optimized with intra-node and inter-node concurrency and computation-communication overlap. Detailed quantitative results are presented to explain all critical runtime components contributing to hybrid performance.

Park, Alfred J↗

On the Feasibility of Dynamic Power Steering

While high performance has always been the primary constraint behind large-scale system design, future systems will be built with increasing energy efficiency in mind. Mechanisms such as fine-grained power scaling and gating will provide tools to system-software and application developers to ensure the most efficient use of tightly constrained power budgets. Such approaches to-date have been focused on node level optimizations to impact overall system energy efficiency. In this work we introduce Dynamic Power Steering, in which power can be dynamically routed across a system to resources where it will be of most benefit and away from other resources to maintain a near-constant overall power budget. This, a higher level algorithmic approach to improving energy efficiency, considers the whole extent of a system being used by an application. It can be used for applications in which there is load imbalance that varies over its execution. Using two classes of applications, namely those that contain a wave front type processing, and a particle-in-cell, we quantify the benefit of Dynamic Power Steering for a variety of workload characteristics and derive some insight into the ways in which workload behavior affect Power Steering applicability.

Barker, Kevin J.↗

Scaling Semantic Graph Databases in Size and Performance

In this paper we present SGEM, a full software system for accelerating large-scale semantic graph databases on commodity clusters. Unlike current approaches, SGEM addresses semantic graph databases by only employing graph methods at all the levels of the stack. On one hand, this allows exploiting the space efficiency of graph data structures and the inherent parallelism of graph algorithms. These features adapt well to the increasing system memory and core counts of modern commodity clusters. On the other hand, however, these systems are optimized for regular computation and batched data transfers, while graph methods usually are irregular and generate fine-grained data accesses with poor spatial and temporal locality. Our framework comprises a SPARQL to data parallel C compiler, a library of parallel graph methods and a custom, multithreaded runtime system. We introduce our stack, motivate its advantages with respect to other solutions and show how we solved the challenges posed by irregular behaviors. We present the result of our software stack on the Berlin SPARQL benchmarks with datasets up to 10 billion triples (a triple corresponds to a graph edge), demonstrating scaling in dataset size and in performance as more nodes are added to the cluster.

Aggregation↗

PERTS: A Prototyping Environment for Real-Time Systems

We discuss an ongoing project to build a Prototyping Environment for Real-Time Systems, called PERTS. PERTS is a unique prototyping environment in that it has (1) tools and performance models for the analysis and evaluation of real-time prototype systems, (2) building blocks for flexible real-time programs and the support system software, (3) basic building blocks of distributed and intelligent real time applications, and (4) an execution environment. PERTS will make the recent and future theoretical advances in real-time system design and engineering readily usable to practitioners. In particular, it will provide an environment for the use and evaluation of new design approaches, for experimentation with alternative system building blocks and for the analysis and performance profiling of prototype real-time systems.

Liu, Jane W. S.↗

PDS4: Developing the Next Generation Planetary Data System

The Planetary Data System (PDS) is in the midst of a major upgrade to its system. This upgrade is a critical modernization of the PDS as it prepares to support the future needs of both the mission and scientific community. It entails improvements to the software system and the data standards, capitalizing on newer, data system approaches. The upgrade is important not only for the purpose of capturing results from NASA planetary science missions, but also for improving standards and interoperability among international planetary science data archives. As the demands of the missions and science community increase, PDS is positioning itself to evolve and meet those demands.

Crichton, D.↗

Integrated Planning and Scheduling for NASA’s Deep Space Network – from Forecasting to Real-time

Over a period of several years, the software systems that plan and schedule the use of NASA’s Deep Space Network (DSN) for the projects it serves have been upgraded from a disparate set of decades-old software components, to an integrated suite covering long-range planning and forecasting, all the way to real-time scheduling. The most recent component of this suite is known as LAPS, for Loading Analysis and Planning Software, and is responsible for long-term planning and forecasting, including studies and analysis of new missions, changed mission requirements, downtime, and new or changed antenna capabilities. This paper discusses the architecture of LAPS and its interfaces with other elements of DSN planning and scheduling, its user interfaces, and some lessons learned from development and deployment.

Lad, Jigna↗

Space station dynamics, attitude control and momentum management

The Space Station Attitude Control System software test-bed provides a rigorous environment for the design, development and functional verification of GN and C algorithms and software. The approach taken for the simulation of the vehicle dynamics and environmental models using a computationally efficient algorithm is discussed. The simulation includes capabilities for docking/berthing dynamics, prescribed motion dynamics associated with the Mobile Remote Manipulator System (MRMS) and microgravity disturbances. The vehicle dynamics module interfaces with the test-bed through the central Communicator facility which is in turn driven by the Station Control Simulator (SCS) Executive. The Communicator addresses issues such as the interface between the discrete flight software and the continuous vehicle dynamics, and multi-programming aspects such as the complex flow of control in real-time programs. Combined with the flight software and redundancy management modules, the facility provides a flexible, user-oriented simulation platform.

Sunkel, John W.↗

MPMC and MCMD: Free High-Performance Simulation Software for Atomistic Systems

Advancements in parallel computing and hardware have allowed computational exploration of chemical systems of interest with unprecendented accuracy and efficiency. The typical development of molecular simulation software is initially inspired by a particular scientific inquiry. The softwares presented herein, MPMC (Massively Parallel Monte Carlo) and MCMD (Monte Carlo/Molecular Dynamics) were born out of a pursuit to simulate condensed phase physical and chemical interactions in porous materials. MPMC first began in 2005 and has been used for dozens of published results in the literature but has not yet been introduced in a standalone paper. MCMD is a more recent expansion and re-write with some published work, focused on adding molecular dynamics algorithms for transport and other time-dependent properties of chemical systems. Each software functions as a standalone with some unique and other overlapping features. Here, a driving aim of this work is to consider periodic, long-range polarization effects in classical simulation, and both codes are optimized to perform such calculations. Sample results will be presented which highlight methodically that inclusion of explicit polarization produces simulation results with predictive power which in general are in greater agreement with experiment than non-polarizable analogous simulations.

97 MATHEMATICS AND COMPUTING↗