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At least 595 records · Page 33

Exploration Extravehicular Mobility Unit (xEMU) 11 Foot Vacuum Chamber Upgrades Test Results

The Exploration Extravehicular Mobility Unit (xEMU) uncrewed 11 foot vacuum chamber testing evaluated the capabilities of the 11 foot vacuum chamber facility to support advanced spacesuit testing. The government reference design xEMU spacesuit provided a high-fidelity test article to demonstrate 11 foot vacuum chamber capabilities which included: gas loading of the chamber at varying simulated metabolic rates and open loop suit abort operations, Intravehicular Activity (IVA) vacuum access, consumables recharge, IVA vehicle-provided thermal loop cooling, and IVA vehicle-provided power. To demonstrate the xEMU airlock operations transitioning from IVA to EVA conditions without a test subject in the suit, test support equipment was developed to remotely actuate both the Exploration, Servicing, and Cooling Umbilical (ESCU) and the vacuum access umbilical. This test also evaluated the performance of the Exploration Portable Life Support System (xPLSS) at vacuum conditions. Data was collected and analyzed for carbon dioxide (CO2) scrubbing performance of the Rapid Cycle Amine (RCA) swingbed, for thermal regulation performance of the Suit Water Membrane Evaporator (SWME), and for sensor performance across the xPLSS. This paper will detail the findings of the testing performed with these upgrades which discussed previously laid out in ICES-2025-342.

Robert F Marsch↗

Exploration Extravehicular Mobility Unit 11 Foot Vacuum Chamber Upgrades Test Results

The Exploration Extravehicular Mobility Unit (xEMU) uncrewed 11 foot vacuum chamber testing evaluated the capabilities of the 11 foot vacuum chamber facility to support advanced spacesuit testing. The government reference design xEMU spacesuit provided a high-fidelity test article to demonstrate 11 foot vacuum chamber capabilities which included: gas loading of the chamber at varying simulated metabolic rates and open loop suit abort operations, Intravehicular Activity (IVA) vacuum access, consumables recharge, IVA vehicle-provided thermal loop cooling, and IVA vehicle-provided power. To demonstrate the xEMU airlock operations transitioning from IVA to EVA conditions without a test subject in the suit, test support equipment was developed to remotely actuate both the Exploration, Servicing, and Cooling Umbilical (ESCU) and the vacuum access umbilical. This test also evaluated the performance of the Exploration Portable Life Support System (xPLSS) at vacuum conditions. Data was collected and analyzed for carbon dioxide (CO2) scrubbing performance of the Rapid Cycle Amine (RCA) swingbed, for thermal regulation performance of the Suit Water Membrane Evaporator (SWME), and for sensor performance across the xPLSS. This paper will detail the findings of the testing performed with these upgrades which discussed previously laid out in ICES-2025-342.

Robert Marsch↗

Optimization with the OpenACC-to-FPGA framework on the Arria 10 and Stratix 10 FPGAs

The reconfigurable computing paradigm with field programmable gate arrays (FPGAs) has received renewed interest in the high-performance computing field due to FPGAs’ unique combination of performance and energy efficiency. However, difficulties in programming and optimizing FPGAs have prevented them from being widely accepted as general-purpose computing devices. In accelerator-based heterogeneous computing, portability across diverse heterogeneous devices is also an important issue, but the unique architectural features in FPGAs make this difficult to achieve. To address these issues, a directive-based, high-level FPGA programming and optimization framework was previously developed. In this work, developed optimizations were combined holistically using the directive-based approach to show that each individual benchmark requires a unique set of optimizations to maximize performance. We perform this exploration on Intel Arria 10 and Stratix 10 FPGAs. We also explored the relationships between performance, resource usages, and compilation times, and investigated implications for performance portability. Finally, we present an initial evaluation of a real-world proxy application, LULESH.

97 MATHEMATICS AND COMPUTING↗

Domain-specific virtual processors as a portable programming and execution model for parallel computational workloads on modern heterogeneous high-performance computing architectures

We advocate domain-specific virtual processors (DSVP) as a portability layer for expressing and executing domain-specific computational workloads on modern heterogeneous HPC architectures, with applications in quantum chemistry. Specifically, in this article we extend, generalize and better formalize the concept of a domain-specific virtual processor as applied to scientific high-performance computing. In particular, we introduce a system-wide recursive (hierarchical) hardware encapsulation mechanism into the DSVP architecture and specify a concrete microarchitectural design of an abstract DSVP from which specialized DSVP implementations can be derived for specific scientific domains. Furthermore, we demonstrate, an example of a domain-specific virtual processor specialized to numerical tensor algebra workloads, which is implemented in the ExaTENSOR library developed by the author with a primary focus on the quantum many-body computational workloads on large-scale GPU-accelerated HPC platforms.

97 MATHEMATICS AND COMPUTING↗

SYMBIOSYS: A Methodology for Performance Analysis of Composable HPC Data Services

Microservices are a powerful new way of building, customizing, and deploying distributed services owing to their flexibility and maintainability. Several large-scale distributed platforms have emerged to serve the growing needs of data-centric workloads and services in commercial computing. Concurrently, high-performance computing (HPC) systems and software are rapidly evolving to meet the demands of diversified applications and heterogeneity. The interplay of hardware factors, software configuration parameters, and the flexibility offered with a microservice architecture makes it nontrivial to estimate the optimal service instantiation for a given application workload. Further, this problem is exacerbated when considering that these services operate in a dynamic and heterogeneous HPC environment. An optimally integrated service can be vastly more performant than a haphazardly integrated one. Existing performance tools for HPC either fail to understand the request-response model of communication inherent to microservices or they operate within a narrow scope, limiting the insight that can be gleaned from employing them in isolation. We propose a methodology for integrated performance analysis of HPC microservices frameworks and applications called SYMBIOSYS. We describe its design and implementation within the context of the Mochi framework. This integration is achieved by combining distributed callpath profiling and tracing with a performance data exchange strategy that collects fine-grained, low-level metrics from the RPC communication library and network layers. The result is a portable, low-overhead performance analysis setup that provides a holistic profile of the dependencies among microservices and how they interact with the Mochi RPC software stack. Using HEPnOS, a production-quality Mochi data service, we demonstrate the low-overhead operation of SYMBIOSYS at scale and use it to identify the root causes of poorly performing service configurations.

microservices↗

Design of a portable powered seat lift

People suffering from degenerative hip or knee joints find sitting and rising from a seated position very difficult. These people can rely on large stationary chairs at home, but must ask others for assistance when rising from any other chair. An orthopedic surgeon identified to the MSFC Technology Utilization Office the need for development of a portable device that could perform a similar function to the stationary lift chairs. The MSFC Structural Development Branch answered the Technology Utilization Office's request for design of a portable powered seat lift. The device is a seat cushion that opens under power, lifting the user to near-standing positions. The largest challenge was developing a mechanism to provide a stable lift over the large range of motion needed, and fold flat enough to be comfortable to sit on. CAD 3-D modeling was used to generate complete drawings for the prototype, and a full-scale working model of the Seat lift was made based on the drawings. The working model is of low strength, but proves the function of the mechanism and the concept.

Weddendorf, Bruce↗

PSI/J: A Portable Interface for Submitting, Monitoring, and Managing Jobs

It is generally desirable for high-performance computing (HPC) applications to be portable between HPC systems, for example to make use of more performant hardware, make effective use of allocations, and to co-locate compute jobs with large datasets. Unfortunately, moving scientific applications between HPC systems is challenging for various reasons, most notably that HPC systems have different HPC schedulers. We introduce PSI/J, a job management abstraction API intended to simplify the construction of software components and applications that are portable over various HPC scheduler implementations. We argue that such a system is both necessary and that no viable alternative currently exists. We analyze similar notable APIs and attempt to determine the factors that influenced their evolution and adoption by the HPC community. We base the design of PSI/J on that analysis. We describe how PSI/J has been integrated in three workflow systems and one application, and also show via experiments that PSI/J imposes minimal overhead.

Hategan, Mihael↗

Evaluation of PCR Systems for Field Screening of Bacillus anthracis

There is little published data on the performance of hand-portable polymerase chain reaction (PCR) instruments that could be used by first responders to determine if a suspicious powder contains a potential biothreat agent. We evaluated five commercially available hand-portable PCR instruments for detection of Bacillus anthracis (Ba). We designed a cost-effective, statistically-based test plan that allows instruments to be evaluated at performance levels ranging from 0.85-0.95 lower confidence bound (LCB) on the probability of detection (POD) at confidence levels of 80-95%. We assessed specificity using purified genomic DNA from 13 Ba strains and 18 Bacillus near neighbors, interference with 22 common hoax powders encountered in the field, and PCR inhibition when Ba spores were spiked into these powders. Our results indicated that three of the five instruments achieved >0.95 LCB on the POD with 95% confidence at test concentrations of 2,000 genome equivalents/mL (comparable to 2,000 spores/mL), displaying more than sufficient sensitivity for screening suspicious powders. These instruments exhibited no false positive results or PCR inhibition with common hoax powders, and reliably detected Ba spores spiked into common hoax powders, though some issues with instrument controls were observed. Our testing approach enables efficient instrument performance testing to a statistically rigorous and cost-effective test plan to generate performance data that will allow users to make informed decisions regarding the purchase and use of biodetection equipment in the field.

59 BASIC BIOLOGICAL SCIENCES↗

Demonstrating GPU code portability and scalability for radiative heat transfer computations

High performance computing frameworks utilizing CPUs, Nvidia GPUs, and/or Intel Xeon Phis necessitate portable and scalable solutions for application developers. Nvidia GPUs in particular present numerous portability challenges with a different programming model, additional memory hierarchies, and partitioned execution units among streaming multiprocessors. This work presents modifications to the Uintah asynchronous many-task runtime and the Kokkos portability library to enable one single codebase for complex multiphysics applications to run across different architectures. Scalability and performance results are shown on multiple architectures for a globally coupled radiation heat transfer simulation, ranging from a single node to 16,384 Titan compute nodes.

Computer Science↗

Digital acoustic sensor performance across the infrasound range in non-isolated conditions

The next generation of acoustic sensors is emerging to supplement legacy sensors traditionally used in regional and global networks. These devices operate under similar principles as traditional sensors, without the need of a separate external digitizer. The calibration of these sensors against their predecessors is crucial to the modernization of conventional technologies. This work describes the characterization of the next-generation MB3 digital microbarometer and the iPrecision smartphone microphone in a non-isolated calibration room across the infrasound (i.e., 0.01–20 Hz) range. The intent is to evaluate nominal instrument performance before deployment. A portable rotary subwoofer is used as a controllable infrasound source to generate single-tone sinusoidal and broadband noise pressure waves in a room configured for calibration purposes. For each device, comparison measurements are made, from which the digital sensitivity and the parametric response is developed. The results provide insight into the performance of the sensors in non-isolated environments. By overlapping the responses of the test sensors, digital sensor performance across the infrasound range can be benchmarked. These responses may serve as a double-reference scheme in future pressure measurements and digital calibrations of acoustic sensors.

47 OTHER INSTRUMENTATION↗

Sparse Matrix-Based HPC Tomography

Tomographic imaging has benefited from advances in X-ray sources, detectors and optics to enable novel observations in science, engineering and medicine. These advances have come with a dramatic increase of input data in the form of faster frame rates, larger fields of view or higher resolution, so high performance solutions are currently widely used for analysis. Tomographic instruments can vary significantly from one to another, including the hardware employed for reconstruction: from single CPU workstations to large scale hybrid CPU/GPU supercomputers. Furthermore, flexibility on the software interfaces and reconstruction engines are also highly valued to allow for easy development and prototyping. This paper presents a novel software framework for tomographic analysis that tackles all aforementioned requirements. The proposed solution capitalizes on the increased performance of sparse matrix-vector multiplication and exploits multi-CPU and GPU reconstruction over MPI. Furthermore, the solution is implemented in Python and relies on CuPy for fast GPU operators and CUDA kernel integration, and on SciPy for CPU sparse matrix computation. As opposed to previous tomography solutions that are tailor-made for specific use cases or hardware, the proposed software is designed to provide flexible, portable and high-performance operators that can be used for continuous integration at different production environments, but also for prototyping new experimental settings or for algorithmic development. The experimental results demonstrate how our implementation can even outperform state-of-the-art software packages used at advanced X-ray sources worldwide.

97 MATHEMATICS AND COMPUTING↗

Can Kohn–Sham density functional theory predict accurate charge distributions for both single-reference and multi-reference molecules?

Dipole moments are the first moment of electron density and are fundamental quantities that are often available from experiments. An exchange–correlation functional that leads to an accurate representation of the charge distribution of a molecule should accurately predict the dipole moments of the molecule. It is well known that Kohn–Sham density functional theory (DFT) is more accurate for the energetics of single-reference systems than for the energetics of multi-reference ones, but there has been less study of charge distributions. Here, in this work, we benchmark 48 density functionals chosen with various combinations of ingredients, against accurate experimental data for dipole moments of 78 molecules, in particular 55 single-reference molecules and 23 multi-reference ones. We chose both organic and inorganic molecules, and within the category of inorganic molecules there are both main-group and transition-metal-containing molecules, with some of them being multi-reference. As one would expect, the multi-reference molecules are not as well described by single-reference DFT, and the functionals tested in this work do show larger mean unsigned errors (MUEs) for the 23 multi-reference molecules than the single-reference ones. Five of the 78 molecules have relatively large experimental error bars and were therefore not included in calculating the overall MUEs. For the 73 molecules not excluded, we find that three of the hybrid functionals, B97-1, PBE0, and TPSSh (each with less than or equal to 25% Hartree–Fock (HF) exchange), the range-separated hybrid functional, HSE06 (with HF exchange decreasing from 25% to 0 as interelectronic distance increases), and the hybrid functional, PW6B95 (with 28% HF exchange) are the best performing functionals with each yielding an MUE of 0.18 D. Perhaps the most significant finding of this study is that there exists great similarity among the success rate of various functionals in predicting dipole moments. In particular, of 39 functionals designed as general-purpose functionals and that do not have a global value of 100% HF exchange, the average MUE is 0.23 D, with a standard deviation of only 0.04 D. Among gradient approximations, which are especially interesting because of their speed and portability, the best overall performance is by PBE, HCTH/407, OLYP, OreLYP, and GAM, each with MUE of 0.22 D.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

GASNet-EX Performance Improvements Due to Specialization for the Cray Aries Network

GASNet-EX is a portable, open-source, high-performance communication library designed to efficiently support the networking requirements of PGAS runtime systems and other alternative models on future exascale machines. This paper reports on the improvements in performance observed on Cray XC-series systems due to enhancements made to the GASNet-EX software. These enhancements, known as "specializations", primarily consist of replacing network-independent implementations of several recently added features with implementations tailored to the Cray Aries network. Performance gains from specialization include (1) Negotiated-Payload Active Messages improve bandwidth of a ping-pong test by up to 14%, (2) Immediate Operations reduce running time of a synthetic benchmark by up to 93%, (3) non-bulk RMA Put bandwidth is increased by up to 32%, (4) Remote Atomic performance is 70% faster than the reference on a point-to-point test and allows a hot-spot test to scale robustly, and (5) non-contiguous RMA interfaces see up to 8.6x speedups for an intra-node benchmark and 26% for inter-node. These improvements are all available in GASNet-EX version 2018.3.0 and later.

97 MATHEMATICS AND COMPUTING↗

I/O Parallelization for the Goddard Earth Observing System Data Assimilation System (GEOS DAS)

The National Aeronautics and Space Administration (NASA) Data Assimilation Office (DAO) at the Goddard Space Flight Center (GSFC) has developed the GEOS DAS, a data assimilation system that provides production support for NASA missions and will support NASA's Earth Observing System (EOS) in the coming years. The DAO's support of the EOS project along with the requirement of producing long-term reanalysis datasets with an unvarying system levy a large I/O burden on the future system. The DAO has been involved in prototyping parallel implementations of the GEOS DAS for a number of years and is now converting the production version from shared-memory parallelism to distributed-memory parallelism using the portable Message-Passing Interface (MPI). If the MPI-based GEOS DAS is to meet these production requirements, we must make I/O from the parallel system efficient. We have designed a scheme that allows efficient I/O processing while retaining portability, reducing the need for post-processing, and producing data formats that are required by our users, both internal and external. The first phase of the GEOS DAS Parallel I/O System (GPIOS) will expand upon the common method of gathering global data to a Single PE for output. Instead of using a PE also tasked with primary computation, a number of PEs will be dedicated to I/O and its related tasks. This allows the data transformations and formatting required prior to output to take place asynchronously with respect to the GEOS DAS assimilation cycle, improving performance and generating output data sets in a format convenient for our users. I/O PEs can be added as needed to handle larger data volumes or to meet user file specifications. We will show I/O performance results from a prototype MPI GCM integrated with GPIOS. Phase two of GPIOS development will examine ways of integrating new software technologies to further improve performance and build scalability into the system. The maturing of MPI-IO implementations and other supporting libraries such as parallel HDF should provide performance gains while retaining portability.

Lucchesi, R.↗

NASA Electric Vertical Takeoff and Landing (eVTOL) Aircraft Technology for Public Services – A White Paper

History has shown that our personal life is highly dependent on the technology that people have developed. A strategic scan of the aerospace environment at the beginning of the 21st century strongly suggests that the world might be approaching a new age of airpower—the era of electrified/hybrid aircraft propulsion. Undeniably, starting from the Montgolfier Brothers balloon flight in 1783, to the Wright Brothers piston engine flight in 1903, and the jet engine of the 1960s, or the space age of today, one can say that leaps in propulsion technology have marked the different ages of human flight. The technological advancements, brought at the beginning of 21st century by the revolution in data exchange, computational power, sensors, wireless communication, internet, and autonomy, contributed to the vision of this new age of propulsion we are approaching. Historically, conventional vertical takeoff and landing (VTOL) aircraft have been equipped with propulsion units relying on complex internal combustion machines (turbines, piston engines, for example), and complex mechanical arrangements (gearboxes, shafts, variable pitch propeller). By contrast, electric VTOL aircraft (eVTOL)1 rely on simpler propulsion units (electric motors and in some cases fixed-pitch propellers). This promotes redundancy and improves tolerance to failures, in turn improving safety. The use of simpler electric propulsion units should also allow significant acquisition and operating cost reductions. Whether full-electric (relying solely on batteries) or hybrid-electric (relying on a combination of batteries, fuel-powered engines, and generators.), eVTOLs are also expected to generate less noise and air pollution than conventional aircraft with similar payloads. According to the 2019 Annual Review of IATA (International Air Transport Association) [ref.1], due to an expected increase in air transport traffic by 5% every year and a doubling of air transport passenger numbers to 8.2 billion by 2037 significant challenges are posed to the aviation industry. Furthermore, this report does not factor in the expected demand for short-range (intra-city) air transportation, which is in development and yet to be operational. The increased demand to fly creates a responsibility to expand in a sustainable manner and an endeavor to develop more environmentally-friendly aircraft. eVTOL aircraft, either piloted or autonomous, is gathering considerable interest worldwide. Modern and novel full-electric or hybrid-electric eVTOL configurations enable a new paradigm shift in air transportation as the aviation industry remains committed to its goals of carbon-neutral growth from 2020 onwards and cutting CO2 emissions to half 2005 levels by 2050. While electric power has been used for decades, recent developments in mobile electric/hybrid propulsion coupled with advanced materials and autonomous systems may create the possibility to transition into the next age of air mobility propelled by electric/hybrid VTOL aircraft technology. Although eVTOL aircraft might seem like an incremental improvement or even a counterintuitive regression with regard to past VTOL development, it has in fact the potential to transform air mobility across a wide range of government applications. Previous transformations in aviation generated dramatic leaps in performance, but the cost was commensurate with performance, limiting quantity produced. This next age appears to take a different approach. Performance may not increase, but at this moment technology is poised for future urban mobility that will spawn commercial passenger drone services, that is, autonomous (pilotless) air taxis and thereby add a new dimension to the urban transportation mix of the future [ref. 2]. Advances in electric propulsion, autonomous flight technology, and 5G communication networks will enable this fast new-growing market to become a reality. It is now time to envision the introduction of electric/hybrid eVTOL aircraft for Public Services2. We believe that in the next decades eVTOL aircraft will have the potential to become an essential tool to Public Service agencies around the world in applications such as firefighting, public safety, search and rescue, disaster relief and law enforcement. This is due to several major factors. • First, with the increasing popularity of small, unmanned aircraft vehicles (UAVs) or drones, many companies today are focusing on the development of passenger UAVs designed to accommodate up to five passengers or equivalent cargo payload. Many such configurations are electric or hybrid-electric designs with VTOL capabilities. Several of these projects have started a flight test program and many more are expected to be in the experimental and development phase in 2020. Such revolutionary vehicles could be in commercial operations by 2030. These eVTOL systems could be ready for selected Public Services missions even sooner. • Second, although these advanced eVTOL vehicles under development still need access to fuel (hybrid) and/or electric charging capability, they can take off and land from almost anywhere. Therefore, such vehicles, both manned and unmanned can be successfully integrated for the critical missions of the Public Services with extra deployment flexibilities. • Third, advancement in electric propulsion systems in the automotive industry together with NASA’s leading efforts in electrification of aircraft propulsion systems, FAA’s ongoing active eVTOL certification programs, and EASA’s proposed framework for the certification of electric/hybrid small category VTOL aircraft in Europe [ref. 3] will help accelerate industry electric propulsion system development and integration. • Finally, eVTOL vehicles could be deployed for Public Services sooner than air taxi or other commercial applications, since Public Services missions may be more easily approved based on specific mission criteria, localized airworthiness authority for public-use aircraft3, and are normally operating under centralized airspace management and control by the theater command. Moreover, public perception and acceptance are generally less of a concern when operations save lives and benefit the wider community. The prioritized introduction of eVTOL aircraft in Public Services is ambitious, but we believe it is achievable in the coming decades if fundamental enablers (people and technologies) are engaged in defining the objectives and needs of these missions. The revolution that is currently taking place in eVTOL aircraft represents an unprecedented opportunity to develop a safer, more affordable, more available and more environmentally friendly future of vertical flight. To ensure that these novel aircraft meet the future expectations of Public Services, it is essential to take a collaborative and multi-disciplinary approach to their development, across engineering disciplines, policy-making, program management, business case development, manufacturing, and flight demonstrations. It should be noted that the term eVTOL (in the near term) used throughout this publication implies aircraft capable of transporting up to 5 persons which may or may not include a pilot if operated fully autonomously, assuming an average of 200 pounds (91 kg) per person or equivalent payload and a range up to 60 miles plus a suitable reserve. Hybrid or hydrogen powered eVTOLs would have greater range. For example, a “3-seat” eVTOL aircraft may only be able to carry two fully equipped firemen, and payload capacity is more relevant when used for the supply mission. Moreover, this paper concentrates on the “last-mile” solutions with a deployment time of no more than 6 hours. Although not specifically discussed in this document, it is understood that the future of Transformative Vertical Flight in general and Public Services, in particular, will also involve smaller UAVs that will undoubtedly play a crucial role in future aerial operations. For example, smaller unmanned aircraft may be used to dispatch medical supplies, portable filtration systems or perform the Search task of future Search and Rescue (SAR) operations. Close collaboration between the aircraft industry, the Civil Aviation Authorities (CAA), e.g., Federal Aviation Administration (FAA), European Aviation Safety Agency (EASA), Transport Canada Civil Aviation (TCCA) and the Department of Defense (DoD) certifiers, will help identify Public Services requirements, define expectations and limit development cost and timescales. Take the US Air Force Agility Prime as an example, the majority of the eVTOL application opportunities and mission elements identified are in line with the NASA TVF WG-4 objectives and use cases. Together, it forms a strong partnership to accelerate the development, certification, and practical deployment for public service missions. The US Air Force Agility Prime has been a collaboration partner on this white paper, and provided valuable input and recommendations. Most of the eVTOL public service mission elements discussed in this paper and additional use cases envisioned by the NASA TVF WG-4 team are shared by the Agility Prime program. The focus and efforts of the Agility Prime in product and system development, industry and government partnership, accelerated certifications as well as early test and deployment are totally in sync with the path forward recommended by this white paper. This kind of collaboration and partnership will help enable the practical use of the eVTOL for public service missions, benefit the eVTOL public acceptance, and accelerate the eVTOL industry revolution.

Johnny T. Doo↗

The SENSEI Generic In Situ Interface: Tool and Processing Portability at Scale [Book Chapter]

One key challenge when doing in situ processing is the investment required to add code to numerical simulations needed to take advantage of in situ processing. Such instrumentation code is often specialized, and tailored to a specific in situ method or infrastructure. Then, if a simulation wants to use other in situ tools, each of which has its own bespoke API [4], then the simulation code team will quickly become overwhelmed with having a different set of instrumentation APIs, one per in situ tool or method. In an ideal situation, such instrumentation need happen only once, and then the instrumentation API provides access to a large diversity of tools. In this way, a data producer’s instrumentation need not be modified if the user desires to take advantage of a different set of in situ tools. The SENSEI generic in situ interface addresses this challenge, which means that SENSEI-instrumented codes enjoy the benefit of being able to use a diversity of tools at scale, tools that include Libsim, Catalyst, Ascent, as well as user-defined methods written in C++ or Python. SENSEI has been shown to scale to greater than 1M-way concurrency on HPC platforms, and provides support for a rich and diverse collection of common scientific data models. Furthermore, this chapter presents the key design challenges that enable tool and processing portability at scale, some performance analysis, and example science applications of the methods.

Bethel, E. Wes↗

Acceleration of the Parameterization of Unified Microphysics Across Scales (PUMAS) on the Graphics Processing Unit (GPU) With Directive-Based Methods

Cloud microphysics is one of the most time-consuming components in a climate model. In this study, we port the cloud microphysics parameterization in the Community Atmosphere Model (CAM), known as Parameterization of Unified Microphysics Across Scales (PUMAS), from CPU to GPU to seek a computational speedup. The directive-based methods (OpenACC and OpenMP target offload) are determined as the best fit specifically for our development practices, which enable a single version of source code to run either on the CPU or GPU, and yield a better portability and maintainability. Their performance is first examined in a PUMAS stand-alone kernel and the directive-based methods can outperform a CPU node as long as there is enough computational burden on the GPU. A consistent behavior is observed when we run PUMAS on the GPU in a practical CAM simulation. A 3.6× speedup of the PUMAS execution time, including data movement between CPU and GPU, is achieved at a coarse horizontal resolution (8 NVIDIA V100 GPUs against 36 Intel Skylake CPU cores). This speedup further increases up to 5.4× at a high resolution (24 NVIDIA V100 GPUs against 108 Intel Skylake CPU cores), which highlights the fact that GPU favors larger problem size. This study demonstrates that using GPU in a CAM simulation can save noticeable computational costs even with a small portion of code being GPU-enabled. Therefore, we are encouraged to port more parameterizations to GPU to take advantage of its computational benefit.

54 ENVIRONMENTAL SCIENCES↗

Accelerated kinetic model for global macro stability studies of high-beta fusion reactors

The field reversed configuration (FRC), such as studied in the C-2W experiment at TAE Technologies, is an attractive candidate for realizing a nuclear fusion reactor. In an FRC, kinetic ion effects play the majority role in macroscopic stability, which allows global stability studies to make use of fluid-kinetic hybrid (also referred to as Ohm's law) models wherein ions are treated kinetically while electrons are treated as a fluid. The development and validation of such a hybrid particle-in-cell algorithm in the Exascale Computing Project code WarpX are reported here. Implementation of this model in the WarpX framework benefits from the numerical efficiency of WarpX as well as its scalability on large HPC systems and portability to different architectures. Performance benchmarks of the new algorithm for large, 3-dimensional, full device simulations from the Perlmutter supercomputer are presented. Results of a series of FRC simulations are discussed in which the impact of two-fluid effects on the tilt-mode growth rate was studied. It was observed that, in agreement with previous Hall-MHD studies, two-fluid effects have a stabilizing impact on the tilt mode.

Physics↗