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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS2005

Reusable and Extensible High Level Data Distributions

This paper presents a reusable design of a data distribution framework for data parallel high performance applications. We are implementing the design in the context of the Chapel high productivity programming language. Distributions in Chapel are a means to express locality in systems composed of large numbers of processor and memory components connected by a network. Since distributions have a great effect on,the performance of applications, it is important that the distribution strategy can be chosen by a user. At the same time, high productivity concerns require that the user is shielded from error-prone, tedious details such as communication and synchronization. We propose an approach to distributions that enables the user to refine a language-provided distribution type and adjust it to optimize the performance of the application. Additionally, we conceal from the user low-level communication and synchronization details to increase productivity. To emphasize the generality of our distribution machinery, we present its abstract design in the form of a design pattern, which is independent of a concrete implementation. To illustrate the applicability of our distribution framework design, we outline the implementation of data distributions in terms of the Chapel language.

patterns↗
DOE OSTI2026

SEGUID v2: Extending SEGUID checksums for circular, linear, single- and double-stranded biological sequences

Background Synthetic biology involves combining different DNA fragments, each containing functional biological parts, to address specific problems. Fundamental gene-function research often requires cloning and propagating DNA fragments, such as those from the iGEM Parts Registry or Addgene, typically distributed as circular plasmids. Addgene’s repository alone offers around 150,000 plasmids. To ensure data integrity, cryptographic checksums can be calculated for the sequences. Each sequence has a unique checksum, making checksums useful for validation and quick lookups of associated annotations. For example, the SEGUID checksum uniquely identifies protein sequences with a 27-character string. Objectives The original SEGUID, while effective for protein sequences and single-stranded DNA (ssDNA), is not suitable for circular DNA since there is no natural starting position nor for double-stranded DNA (dsDNA) since two separate sequences are present. Challenges include how to uniquely represent linear dsDNA, circular ssDNA, and circular dsDNA. To meet these needs, we propose SEGUID v2, which extends the original SEGUID to handle additional types of sequences. Conclusions SEGUID v2 produces orientation and rotation invariant checksums for single-stranded, double-stranded, possibly staggered, linear, and circular DNA and RNA sequences. Customizable alphabets allow for other types of sequences. In contrast to the original SEGUID, which uses Base64, SEGUID v2 uses Base64url to encode the SHA-1 hash. This ensures SEGUID v2 checksums can be used as-is in filenames, regardless of platform, and in URLs, with minimal friction. Availability SEGUID v2 is readily available for major programming languages, distributed under the MIT license. JavaScript package seguid is available on npm, Python package seguid on PyPi, R package seguid on CRAN, and a Tcl script on GitHub. These tools, along with documentation, examples, and an online SEGUID Calculator , can be found at https://www.seguid.org .

Pereira, Humberto↗
NASA NTRS2006

User-Defined Data Distributions in High-Level Programming Languages

One of the characteristic features of today s high performance computing systems is a physically distributed memory. Efficient management of locality is essential for meeting key performance requirements for these architectures. The standard technique for dealing with this issue has involved the extension of traditional sequential programming languages with explicit message passing, in the context of a processor-centric view of parallel computation. This has resulted in complex and error-prone assembly-style codes in which algorithms and communication are inextricably interwoven. This paper presents a high-level approach to the design and implementation of data distributions. Our work is motivated by the need to improve the current parallel programming methodology by introducing a paradigm supporting the development of efficient and reusable parallel code. This approach is currently being implemented in the context of a new programming language called Chapel, which is designed in the HPCS project Cascade.

physically distributed memory↗
NASA NTRS1990

Supporting shared data structures on distributed memory architectures

Programming nonshared memory systems is more difficult than programming shared memory systems, since there is no support for shared data structures. Current programming languages for distributed memory architectures force the user to decompose all data structures into separate pieces, with each piece owned by one of the processors in the machine, and with all communication explicitly specified by low-level message-passing primitives. A new programming environment is presented for distributed memory architectures, providing a global name space and allowing direct access to remote parts of data values. The analysis and program transformations required to implement this environment are described, and the efficiency of the resulting code on the NCUBE/7 and IPSC/2 hypercubes are described.

Koelbel, Charles↗
NASA NTRS2003

[Development and Use of Hidrosig]

The NASA portion of this joint NSF-NASA grant consists of objective 2 and a part of objective 3. A major effort was made on objective 2, and it consisted of developing a numerical GIs environment called Hidrosig. This major research tool is being developed by the University of Colorado for conducting river-network-based scaling analyses of coupled water-energy-landform-vegetation interactions including water and energy balances, and floods and droughts, at multiple space-time scales.Objective 2: To analyze the relevant remotely sensed products from satellites, radars and ground measurements to compute the transported water mass for each complete Strahler stream using an 'assimilated water balance equation' at daily and other appropriate time scales. This objective requires analysis of concurrent data sets for Precipitation (PPT), Evapotranspiration (ET) and stream flows (Q) on river networks. To solve this major problem, our decision was to develop Hidrosig, a new Open-Source GIs software. A research group in Colombia, South America, developed the first version of Hidrosig, and Ricardo Mantilla was part of this effort as an undergraduate student before joining the graduate program at the University of Colorado in 2001. Hydrosig automatically extracts river networks from large DEMs and creates a "link-based" data structure, which is required to conduct a variety of analyses under objective 2. It is programmed in Java, which is a multi-platform programming language freely distributed by SUN under a GPL license. Some existent commercial tools like Arc-Info, RiverTools and others are not suitable for our purpose for two reasons. First, the source code is not available that is needed to build on the network data structure. Second, these tools use different programming languages that are not most versatile for our purposes. For example, RiverTools uses an IDL platform that is not very efficient for organizing diverse data sets on river networks. Hidrosig establishes a clear data organization framework that allows a simultaneous analysis of spatial fields along river network structures involving Horton- Strahler framework. Software tools for network extraction from DEMs and network-based analysis of geomorphologic and topologic variables were developed during the first year and a part of second year.

Gupta, Vijay K.↗
NASA NTRS1983

The implementation and use of Ada on distributed systems with reliability requirements

The issues involved in the use of the programming language Ada on distributed systems are discussed. The effects of Ada programs on hardware failures such as loss of a processor are emphasized. It is shown that many Ada language elements are not well suited to this environment. Processor failure can easily lead to difficulties on those processors which remain. As an example, the calling task in a rendezvous may be suspended forever if the processor executing the serving task fails. A mechanism for detecting failure is proposed and changes to the Ada run time support system are suggested which avoid most of the difficulties. Ada program structures are defined which allow programs to reconfigure and continue to provide service following processor failure.

Reynolds, P. F.↗
DOE OSTI2020

QCOR; A Language Extension Specification for the Heterogeneous Quantum-Classical Model of Computation

Quantum computing (QC) is an emerging computational paradigm that leverages the laws of quantum mechanics to perform elementary logic operations. Existing programming models for QC were designed with fault-tolerant hardware in mind, envisioning stand-alone applications. However, the susceptibility of near-term quantum computers to noise limits their stand-alone utility. To better leverage limited computational strengths of noisy quantum devices, hybrid algorithms have been suggested whereby quantum computers are used in tandem with their classical counterparts in a heterogeneous fashion. This modus operandi calls out for a programming model and a high-level programming language that natively and seamlessly supports heterogeneous quantum-classical hardware architectures in a single-source-code paradigm. Motivated by the lack of such a model, we introduce a language extension specification, called QCOR, which enables single-source quantum-classical programming. Programs written using the QCOR library–based language extensions can be compiled to produce functional hybrid binary executables. After defining QCOR’s programming model, memory model, and execution model, we discuss how QCOR enables variational, iterative, and feed-forward QC. Additionally, QCOR approaches quantum-classical computation in a hardware-agnostic heterogeneous fashion and strives to build on best practices of high-performance computing. The high level of abstraction in the language extension is intended to accelerate the adoption of QC by researchers familiar with classical high-performance computing.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1984

Software reliability: Additional investigations into modeling with replicated experiments

The effects of programmer experience level, different program usage distributions, and programming languages are explored. All these factors affect performance, and some tentative relational hypotheses are presented. An analytic framework for replicated and non-replicated (traditional) software experiments is presented. A method of obtaining an upper bound on the error rate of the next error is proposed. The method was validated empirically by comparing forecasts with actual data. In all 14 cases the bound exceeded the observed parameter, albeit somewhat conservatively. Two other forecasting methods are proposed and compared to observed results. Although demonstrated relative to this framework that stages are neither independent nor exponentially distributed, empirical estimates show that the exponential assumption is nearly valid for all but the extreme tails of the distribution. Except for the dependence in the stage probabilities, Cox's model approximates to a degree what is being observed.

Nagel, P. M.↗
NASA NTRS1986

Comparing host and target environments for distributed Ada programs

The Ada programming language provides a means of specifying logical concurrency by using multitasking. Extending the Ada multitasking concurrency mechanism into a physically concurrent distributed environment which imposes its own requirements can lead to incompatibilities. These problems are discussed. Using distributed Ada for a target system may be appropriate, but when using the Ada language in a host environment, a multiprocessing model may be more suitable than retargeting an Ada compiler for the distributed environment. The tradeoffs between multitasking on distributed targets and multiprocessing on distributed hosts are discussed. Comparisons of the multitasking and multiprocessing models indicate different areas of application.

Paulk, Mark C.↗
NASA NTRS1987

A transputer based finite element solver

The feasibility of performing FEM structural-mechanics analyses on transputer systems is investigated experimentally. Transputers are programmable microprocessors equipped with local memory and point-to-point communication links; they can be joined in a large concurrent system via a programming language which supports distributed processing; this permits parallel processing at relatively low hardware cost. The computational tasks required by FEM programs are reviewed; the hardware (one PC, one master transputer, and 12 slave transputers) employed in the test calculations is described; and results demonstrating the speed and efficiency of the transputer array in assembling a global stiffness matrix and performing Gauss-Jordan matrix inversion are presented in graphs. It is predicted that larger transputer networks could approach the power of supercomputers at minicomputer costs.

Favenesi, J. A.↗
NASA NTRS1992

Distributed and parallel Ada and the Ada 9X recommendations

Recently, the DoD has sponsored work towards a new version of Ada, intended to support the construction of distributed systems. The revised version, often called Ada 9X, will become the new standard sometimes in the 1990s. It is intended that Ada 9X should provide language features giving limited support for distributed system construction. The requirements for such features are given. Many of the most advanced computer applications involve embedded systems that are comprised of parallel processors or networks of distributed computers. If Ada is to become the widely adopted language envisioned by many, it is essential that suitable compilers and tools be available to facilitate the creation of distributed and parallel Ada programs for these applications. The major languages issues impacting distributed and parallel programming are reviewed, and some principles upon which distributed/parallel language systems should be built are suggested. Based upon these, alternative language concepts for distributed/parallel programming are analyzed.

Volz, Richard A.↗
NASA NTRS2006

Implementing Access to Data Distributed on Many Processors

A reference architecture is defined for an object-oriented implementation of domains, arrays, and distributions written in the programming language Chapel. This technology primarily addresses domains that contain arrays that have regular index sets with the low-level implementation details being beyond the scope of this discussion. What is defined is a complete set of object-oriented operators that allows one to perform data distributions for domain arrays involving regular arithmetic index sets. What is unique is that these operators allow for the arbitrary regions of the arrays to be fragmented and distributed across multiple processors with a single point of access giving the programmer the illusion that all the elements are collocated on a single processor. Today's massively parallel High Productivity Computing Systems (HPCS) are characterized by a modular structure, with a large number of processing and memory units connected by a high-speed network. Locality of access as well as load balancing are primary concerns in these systems that are typically used for high-performance scientific computation. Data distributions address these issues by providing a range of methods for spreading large data sets across the components of a system. Over the past two decades, many languages, systems, tools, and libraries have been developed for the support of distributions. Since the performance of data parallel applications is directly influenced by the distribution strategy, users often resort to low-level programming models that allow fine-tuning of the distribution aspects affecting performance, but, at the same time, are tedious and error-prone. This technology presents a reusable design of a data-distribution framework for data parallel high-performance applications. Distributions are a means to express locality in systems composed of large numbers of processor and memory components connected by a network. Since distributions have a great effect on the performance of applications, it is important that the distribution strategy is flexible, so its behavior can change depending on the needs of the application. At the same time, high productivity concerns require that the user be shielded from error-prone, tedious details such as communication and synchronization.

James, Mark↗
NASA NTRS1986

Distributing program entities in Ada

In any discussion of distributing programs and entities of programs written in a high order language (HOL), certain issues need to be included because they are generally independent of the particular language involved and have a direct impact on the feasibility of distribution. Of special interest is the distribution of Ada program entities, but many of the issues involved are not specific to Ada and would require resolution whether written in PASCAL, PL/1, Concurrent PASCAL, HAL/S, or any language which provides similar functionality. The following sections will enumerate some of these issues, and will show in what ways they relate to Ada. Also, some (but by no means all) of the issues involved in the distribution of Ada programs and program entities will be discussed.

Rogers, Patrick↗
NASA NTRS1989

A single-assignment language in a distributed memory multiprocessor

The implementation of the single-assignment programming language SISAL (McGraw et al., 1985) on a Symult 2010 parallel computer is described. The advantages of single-assignment languages over imperative languages in a multiprocessor environment are reviewed; the characteristics of SISAL are summarized; the program-graph generation and dynamic data partitioning procedures are explained; and the application of SISAL in constructing a concurrent iterative multigrid algorithm is discussed in detail and illustrated with diagrams.

Evripidou, P.↗
DOE OSTI2025

Practical Probabilistic Programming

Recent advances in probabilistic programming languages (PPLs) have provided the capability for exact inference: computing a closed-form probability distribution for a given probabilistic program. In particular, the new language Roulette uses a language oriented programming (LOP) approach, wherein analysts build new programming languages on top of a set of primitives provided by Roulette, which then translates these structures into a weighted model counting problem which can be solved by automated reasoning tools. However, because Roulette provides few convenience features, developing these new languages is challenging even for expert users. We developed a standard library of common probability functions for Roulette with the goal of improved usability. This included approximation of continuous probability density functions using discrete probability mass functions. We demonstrated this approach by modeling a cosmic ray striking a RAM controller. We found that Roulette provides a powerful interface for highly expressive probabilistic programs to be generated. In collaboration with the NNSA Advanced Simulation and Computing program, which resulted in development of a tool called Circulette, we were able to model complex circuits expressed in Verilog using probabilistic programs with an expressivity not previously possible. Our research question that motivated the development of a Roulette standard library was to determine whether non-experts could use a PPL to model relevant problems regarding radiation effects on microelectronics. This standard library improved the expressivity of Roulette by implementing common probability density functions, mathematical operators on distributions, and support for empirical distributions. While Roulette is a powerful modeling language, the untyped, LOP approach makes error messages difficult to understand and requires expert aid. We recommend further research on Roulette, especially with its error messages, to enable improved usability. At the same time, this project demonstrated that for users familiar with Roulette and the LOP approach, Roulette provides powerful new capabilities that can be integrated with other Sandia modeling capabilities.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Multinode Multi-GPU Two-Electron Integrals: Code Generation Using the Regent Language

The computation of two-electron repulsion integrals (ERIs) is often the most expensive step of integral-direct self-consistent field methods. Formally it scales as O(N 4 ), where N is the number of Gaussian basis functions used to represent the molecular wave function. In practice, this scaling can be reduced to O(N 2 ) or less by neglecting small integrals with screening methods. The contributions of the ERIs to the Fock matrix are of Coulomb (J) and exchange (K) type and require separate algorithms to compute matrix elements efficiently. We previously implemented highly efficient GPU-accelerated J-matrix and K-matrix algorithms in the electronic structure code TeraChem. Although these implementations supported the use of multiple GPUs on a node, they did not support the use of multiple nodes. This presents a key bottleneck to cutting-edge ab initio simulations of large systems, e.g., excited state dynamics of photoactive proteins. We present our implementation of multinode multi-GPU J- and K-matrix algorithms in TeraChem using the Regent programming language. Regent directly supports distributed computation in a task-based model and can generate code for a variety of architectures, including NVIDIA GPUs. We demonstrate multinode scaling up to 45 GPUs (3 nodes) and benchmark against hand-coded TeraChem integral code. Finally, we also outline our metaprogrammed Regent implementation, which enables flexible code generation for integrals of different angular momenta.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2018

Stochastic Reduced Order Models with Python (SROMPy)

Stochastic Reduced Order Models with Python (SROMPy) is a software package developed to enable user-friendly utilization of the stochastic reduced order model (SROM) approach for uncertainty quantification. A SROM is a low dimensional, discrete approximation to a random quantity that enables efficient and non-intrusive stochastic computations. With SROMPy, a user can easily generate a SROM to approximate a random variable or vector described by several different types of probability distributions using the Python programming language. Once a SROM is constructed, the software can be used to propagate uncertainty through a user-defined computational model to estimate statistics of a given quantity of interest. This report is meant to introduce the SROMPy module and brie y demonstrate its capabilities. A simple example of a spring-mass system with a random input is included to illustrate the practicality of the SROM approach to uncertainty quantification and relative ease of applying it with SROMPy. The example includes a comparison with a solution obtained using classical Monte Carlo simulation, demonstrating the similarities and advantages of using the SROM approach.

Warner, James E.↗
NASA NTRS1987

On the implementation and use of Ada on fault-tolerant distributed systems

Due to a lack of distribution semantics and failure semantics, Ada was found to be inadequte for programming distributed systems in which process failure has to be tolerated. It is shown, however, that it is possible to define adequate distribution and failure semantics for Ada so that the language can be used to program fault-tolerant distributed systems. It is noted that although the new semantics require no additions or changes to Ada's syntax, an extensive support system is necessary to implement them.

Knight, John C.↗