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Computer architectures for computational physics work done by Computational Research and Technology Branch and Advanced Computational Concepts Group

Slides are reproduced that describe the importance of having high performance number crunching and graphics capability. They also indicate the types of research and development underway at Ames Research Center to ensure that, in the near term, Ames is a smart buyer and user, and in the long-term that Ames knows the best possible solutions for number crunching and graphics needs. The drivers for this research are real computational physics applications of interest to Ames and NASA. They are concerned with how to map the applications, and how to maximize the physics learned from the results of the calculations. The computer graphics activities are aimed at getting maximum information from the three-dimensional calculations by using the real time manipulation of three-dimensional data on the Silicon Graphics workstation. Work is underway on new algorithms that will permit the display of experimental results that are sparse and random, the same way that the dense and regular computed results are displayed.

Source record

A general purpose computer-to-computer interface Xerox Sigma computer-to-DEC PDP 11 computer

The Sigma/PDP 11 Interface is a general-purpose system for interconnecting a Xerox Sigma series computer and a DEC PDP 11 series computer. Although the unit is designed to operate in a real-time environment, it can be used in nonreal-time modes as well. Several features, designed to facilitate using the system in varied applications are included in the unit; for example, the features can be used to isolate software or hardware faults. This paper contains descriptions of the hardware and software operations of the interface and examples of real-time applications in the research environment at Ames Research Center.

Fetter, J. L.

On The Computational Capabilities of Physical Systems: Relationship With Conventional Computer Science - Part 2

In the first of this pair of papers, it was proven that there cannot be a physical computer to which one can properly pose any and all computational tasks concerning the physical universe. It was then further proven that no physical computer C can correctly carry out all computational tasks that can be posed to C. As a particular example, this result means that no physical computer that can, for any physical system external to that computer, take the specification of that external system's state as input and then correctly predict its future state before that future state actually occurs; one cannot build a physical computer that can be assured of correctly "processing information faster than the universe does". These results do not rely on systems that are infinite, and/or non-classical, and/or obey chaotic dynamics. They also hold even if one uses an infinitely fast, infinitely dense computer, with computational powers greater than that of a Turing Machine. This generality is a direct consequence of the fact that a novel definition of computation - "physical computation" - is needed to address the issues considered in these papers, which concern real physical computers. While this novel definition does not fit into the traditional Chomsky hierarchy, the mathematical structure and impossibility results associated with it have parallels in the mathematics of the Chomsky hierarchy. This second paper of the pair presents a preliminary exploration of some of this mathematical structure. Analogues of Chomskian results concerning universal Turing Machines and the Halting theorem are derived, as are results concerning the (im)possibility of certain kinds of error-correcting codes. In addition, an analogue of algorithmic information complexity, "prediction complexity", is elaborated. A task-independent bound is derived on how much the prediction complexity of a computational task can differ for two different reference universal physical computers used to solve that task, a bound similar to the "encoding" bound governing how much the algorithm information complexity of a Turing machine calculation can differ for two reference universal Turing machines. Finally, it is proven that either the Hamiltonian of our universe proscribes a certain type of computation, or prediction complexity is unique (unlike algorithmic information complexity), in that there is one and only version of it that can be applicable throughout our universe.

Wolpert, David H.

On the Computational Capabilities of Physical Systems: The Impossibility of Infallible Computation - Part 1

In this first of two papers, strong limits on the accuracy of physical computation are established. First it is proven that there cannot be a physical computer C to which one can pose any and all computational tasks concerning the physical universe. Next it is proven that no physical computer C can correctly carry out any computational task in the subset of such tasks that can be posed to C. This result holds whether the computational tasks concern a system that is physically isolated from C, or instead concern a system that is coupled to C. As a particular example, this result means that there cannot be a physical computer that can, for any physical system external to that computer, take the specification of that external system's state as input and then correctly predict its future state before that future state actually occurs; one cannot build a physical computer that can be assured of correctly 'processing information faster than the universe does'. The results also mean that there cannot exist an infallible, general-purpose observation apparatus, and that there cannot be an infallible, general-purpose control apparatus. These results do not rely on systems that are infinite, and/or non-classical, and/or obey chaotic dynamics. They also hold even if one uses an infinitely fast, infinitely dense computer, with computational powers greater than that of a Turing Machine. This generality is a direct consequence of the fact that a novel definition of computation - a definition of 'physical computation' - is needed to address the issues considered in these papers. While this definition does not fit into the traditional Chomsky hierarchy, the mathematical structure and impossibility results associated with it have parallels in the mathematics of the Chomsky hierarchy. The second in this pair of papers presents a preliminary exploration of some of this mathematical structure, including in particular that of prediction complexity, which is a 'physical computation analogue' of algorithmic information complexity. It is proven in that second paper that either the Hamiltonian of our universe proscribes a certain type of computation, or prediction complexity is unique (unlike algorithmic information complexity), in that there is one and only version of it that can be applicable throughout our universe.

Wolpert, David H.

Distributed computing system with dual independent communications paths between computers and employing split tokens

This is a distributed computing system providing flexible fault tolerance; ease of software design and concurrency specification; and dynamic balance of the loads. The system comprises a plurality of computers each having a first input/output interface and a second input/output interface for interfacing to communications networks each second input/output interface including a bypass for bypassing the associated computer. A global communications network interconnects the first input/output interfaces for providing each computer the ability to broadcast messages simultaneously to the remainder of the computers. A meshwork communications network interconnects the second input/output interfaces providing each computer with the ability to establish a communications link with another of the computers bypassing the remainder of computers. Each computer is controlled by a resident copy of a common operating system. Communications between respective ones of computers is by means of split tokens each having a moving first portion which is sent from computer to computer and a resident second portion which is disposed in the memory of at least one of computer and wherein the location of the second portion is part of the first portion. The split tokens represent both functions to be executed by the computers and data to be employed in the execution of the functions. The first input/output interfaces each include logic for detecting a collision between messages and for terminating the broadcasting of a message whereby collisions between messages are detected and avoided.

Rasmussen, Robert D.

Progress in Computational Aeroelasticity Using High Fidelity Flow and Structural Equations on Parallel Computers

Aeroelasticity which involves strong coupling of fluids, structures and controls is an important element in designing an aircraft. Computational aeroelasticity using low fidelity methods such as the linear aerodynamic flow equations coupled with the modal structural equations are well advanced. Though these low fidelity approaches are computationally less intensive, they are not adequate for the analysis of modern aircraft such as High Speed Civil Transport (HSCT) and Advanced Subsonic Transport (AST) which can experience complex flow/structure interactions. HSCT can experience vortex induced aeroelastic oscillations whereas AST can experience transonic buffet associated structural oscillations. Both aircraft may experience a dip in the flutter speed at the transonic regime. For accurate aeroelastic computations at these complex fluid/structure interaction situations, high fidelity equations such as the Navier-Stokes for fluids and the finite-elements for structures are needed. Computations using these high fidelity equations require large computational resources both in memory and speed. Current conventional supercomputers have reached their limitations both in memory and speed. As a result, parallel computers have evolved to overcome the limitations of conventional computers. This paper will address the transition that is taking place in computational aeroelasticity from conventional computers to parallel computers. The paper will address special techniques needed to take advantage of the architecture of new parallel computers. Results will be illustrated from computations made on iPSC/860 and IBM SP2 computer by using ENASERO code that directly couples the Euler/Navier-Stokes flow equations with high resolution finite-element structural equations.

Guruswamy, Guru P.

The role of quantum computing in advancing scientific high-performance computing: A perspective from the ADAC institute

Quantum computing (QC) has gained significant attention over the past two decades due to its potential for speeding up classically demanding tasks. This transition from an academic focus to a thriving commercial sector is reflected in substantial global investments. While advancements in qubit counts and functionalities continue at a rapid pace, current quantum systems still lack the scalability for practical applications, facing challenges such as too high error rates and limited coherence times. Here, this perspective paper examines the relationship between QC and high-performance computing (HPC), highlighting their complementary roles in enhancing computational efficiency. It is widely acknowledged that even fully error-corrected QC will not be suited for all computational tasks. Rather, future compute infrastructures are anticipated to employ quantum acceleration within hybrid systems that integrate HPC and QC. While QC can enhance classical computing, traditional HPC remains essential for maximizing quantum acceleration. This integration is a priority for supercomputing centers and companies, sparking innovation to address the challenges of merging these technologies. The novelty of this work lies in its unique perspective, reflecting the collective insights of the Accelerated Data Analytics and Computing (ADAC) Institute, a global consortium of over 20 leading HPC centers. Recognizing the growing importance of QC, ADAC established a Quantum Computing Working Group in 2023 to foster collaboration and knowledge-sharing among its members. This paper synthesizes insights from the group’s collaborative efforts and incorporates findings from a member survey that captures shared experiences, ongoing projects, and strategic directions. By outlining the current landscape and challenges of QC integration into HPC ecosystems, this work offers HPC specialists practical and forward-looking guidance on the opportunities and implications of QC in computationally intensive endeavors.

Accelerated Data Analytics and

Specialized computer architectures for computational aerodynamics

In recent years, computational fluid dynamics has made significant progress in modelling aerodynamic phenomena. Currently, one of the major barriers to future development lies in the compute-intensive nature of the numerical formulations and the relative high cost of performing these computations on commercially available general purpose computers, a cost high with respect to dollar expenditure and/or elapsed time. Today's computing technology will support a program designed to create specialized computing facilities to be dedicated to the important problems of computational aerodynamics. One of the still unresolved questions is the organization of the computing components in such a facility. The characteristics of fluid dynamic problems which will have significant impact on the choice of computer architecture for a specialized facility are reviewed.

Stevenson, D. K.

System for simultaneously loading program to master computer memory devices and corresponding slave computer memory devices

A bus programmable slave module card for use in a computer control system is disclosed which comprises a master computer and one or more slave computer modules interfacing by means of a bus. Each slave module includes its own microprocessor, memory, and control program for acting as a single loop controller. The slave card includes a plurality of memory means (S1, S2...) corresponding to a like plurality of memory devices (C1, C2...) in the master computer, for each slave memory means its own communication lines connectable through the bus with memory communication lines of an associated memory device in the master computer, and a one-way electronic door which is switchable to either a closed condition or a one-way open condition. With the door closed, communication lines between master computer memory (C1, C2...) and slave memory (S1, S2...) are blocked. In the one-way open condition invention, the memory communication lines or each slave memory means (S1, S2...) connect with the memory communication lines of its associated memory device (C1, C2...) in the master computer, and the memory devices (C1, C2...) of the master computer and slave card are electrically parallel such that information seen by the master's memory is also seen by the slave's memory. The slave card is also connectable to a switch for electronically removing the slave microprocessor from the system. With the master computer and the slave card in programming mode relationship, and the slave microprocessor electronically removed from the system, loading a program in the memory devices (C1, C2...) of the master accomplishes a parallel loading into the memory devices (S1, S2...) of the slave.

Hall, William A.

Impact of Parallel Computing on Large Scale Aeroelastic Computations

Aeroelasticity is computationally one of the most intensive fields in aerospace engineering. Though over the last three decades the computational speed of supercomputers have substantially increased, they are still inadequate for large scale aeroelastic computations using high fidelity flow and structural equations. In addition to reaching a saturation in computational speed because of changes in economics, computer manufactures are stopping the manufacturing of mainframe type supercomputers. This has led computational aeroelasticians to face the gigantic task of finding alternate approaches for fulfilling their needs. The alternate path to over come speed and availability limitations of mainframe type supercomputers is to use parallel computers. During this decade several different architectures have evolved. In FY92 the US Government started the High Performance Computing and Communication (HPCC) program. As a participant in this program NASA developed several parallel computational tools for aeroelastic applications. This talk describes the impact of those application tools on high fidelity based multidisciplinary analysis.

Guruswamy, Guru P.

A Perspective on Quantum Computing Applications in Quantum Chemistry Using 25-100 Logical Qubits

The intersection of quantum computing and quantum chemistry represents a promising frontier for achieving quantum utility in domains of both scientific and societal relevance. Owing to the exponential growth of classical resource requirements for simulating quantum systems, quantum chemistry has long been recognized as a natural candidate for quantum computation. This perspective focuses on identifying scientifically meaningful use cases where early fault-tolerant quantum computers, which are considered to be equipped with approximately 25-100 logical qubits, could deliver tangible impact. While recent advances in classical computing have pushed the boundaries of tractable simulations to unprecedented scales, this logical-qubit regime represents the first window where quantum devices can pursue qualitatively distinct strategies, such as polynomial-scaling phase estimation, direct simulation of quantum dynamics, and active-space embedding, that remain challenging for classical solvers, such as multireference charge-transfer and conical-intersection states central to photochemistry and materials design. We highlight near-term opportunities in algorithm and software design, discuss representative chemical problems suited for quantum acceleration, and propose strategic roadmaps and collaborative pathways for advancing practical quantum utility in quantum chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

New computing systems and their impact on computational mechanics

Recent advances in computer technology that are likely to impact computational mechanics are reviewed. The technical needs for computational mechanics technology are outlined. The major features of new and projected computing systems, including supersystems, parallel processing machines, special-purpose computing hardware, and small systems are described. Advances in programming environments, numerical algorithms, and computational strategies for new computing systems are reviewed, and a novel partitioning strategy is outlined for maximizing the degree of parallelism on multiprocessor computers with a shared memory.

Noor, Ahmed K.

New computing systems, future computing environment, and their implications on structural analysis and design

Recent advances in computer technology that are likely to impact structural analysis and design of flight vehicles are reviewed. A brief summary is given of the advances in microelectronics, networking technologies, and in the user-interface hardware and software. The major features of new and projected computing systems, including high performance computers, parallel processing machines, and small systems, are described. Advances in programming environments, numerical algorithms, and computational strategies for new computing systems are reviewed. The impact of the advances in computer technology on structural analysis and the design of flight vehicles is described. A scenario for future computing paradigms is presented, and the near-term needs in the computational structures area are outlined.

Noor, Ahmed K.

Compute as Fast as the Engineers Can Think! ULTRAFAST COMPUTING TEAM FINAL REPORT

This report documents findings and recommendations by the Ultrafast Computing Team (UCT). In the period 10-12/98, UCT reviewed design case scenarios for a supersonic transport and a reusable launch vehicle to derive computing requirements necessary for support of a design process with efficiency so radically improved that human thought rather than the computer paces the process. Assessment of the present computing capability against the above requirements indicated a need for further improvement in computing speed by several orders of magnitude to reduce time to solution from tens of hours to seconds in major applications. Evaluation of the trends in computer technology revealed a potential to attain the postulated improvement by further increases of single processor performance combined with massively parallel processing in a heterogeneous environment. However, utilization of massively parallel processing to its full capability will require redevelopment of the engineering analysis and optimization methods, including invention of new paradigms. To that end UCT recommends initiation of a new activity at LaRC called Computational Engineering for development of new methods and tools geared to the new computer architectures in disciplines, their coordination, and validation and benefit demonstration through applications.

Biedron, R. T.

Unconventional compute methods and future challenges for superconducting digital computing

Superconducting digital computing (SDC) based on Josephson junctions (JJs) offers significant potential for enhancing compute throughput and reducing energy consumption compared to conventional room-temperature CMOS-based approaches. Current superconducting logic families exhibit diverse characteristics in clocking strategies, power management, and information encoding techniques. This paper reviews recent advancements in unconventional computing methods specifically designed for superconducting digital circuits, emphasizing temporal computing and pulse-train representations. Notable techniques include race logic (RL), temporal pulse train computing (U-SFQ), and temporal multipliers, each offering unique performance and area advantages suited to superconducting implementations. Additionally, this paper reviews innovations in superconducting coarse-grain reconfigurable architectures (CGRA), superconducting-specific on-chip communication architectures, cryogenic sensor interfaces, and quantum computing control electronics. Finally, we highlight research challenges that should be addressed to facilitate the widespread adoption of superconducting digital computing.

EDA tools

Computer aided reliability, availability, and safety modeling for fault-tolerant computer systems with commentary on the HARP program

Many of the most challenging reliability problems of our present decade involve complex distributed systems such as interconnected telephone switching computers, air traffic control centers, aircraft and space vehicles, and local area and wide area computer networks. In addition to the challenge of complexity, modern fault-tolerant computer systems require very high levels of reliability, e.g., avionic computers with MTTF goals of one billion hours. Most analysts find that it is too difficult to model such complex systems without computer aided design programs. In response to this need, NASA has developed a suite of computer aided reliability modeling programs beginning with CARE 3 and including a group of new programs such as: HARP, HARP-PC, Reliability Analysts Workbench (Combination of model solvers SURE, STEM, PAWS, and common front-end model ASSIST), and the Fault Tree Compiler. The HARP program is studied and how well the user can model systems using this program is investigated. One of the important objectives will be to study how user friendly this program is, e.g., how easy it is to model the system, provide the input information, and interpret the results. The experiences of the author and his graduate students who used HARP in two graduate courses are described. Some brief comparisons were made with the ARIES program which the students also used. Theoretical studies of the modeling techniques used in HARP are also included. Of course no answer can be any more accurate than the fidelity of the model, thus an Appendix is included which discusses modeling accuracy. A broad viewpoint is taken and all problems which occurred in the use of HARP are discussed. Such problems include: computer system problems, installation manual problems, user manual problems, program inconsistencies, program limitations, confusing notation, long run times, accuracy problems, etc.

Shooman, Martin L.

Quantum Computing Technology Roadmaps and Capability Assessment for Scientific Computing - An analysis of use cases from the NERSC workload

The National Energy Research Scientific Computing Center (NERSC), as the high-performance computing (HPC) facility for the Department of Energy’s Office of Science, recognizes the essential role of quantum computing in its future mission. In this report, we analyze the NERSC workload and identify materials science, quantum chemistry, and high-energy physics as the science domains and application areas that stand to benefit most from quantum computers. These domains jointly make up over 50% of the current NERSC production workload, which is illustrative of the impact quantum computing could have on NERSC’s mission going forward. We perform an extensive literature review and determine the quantum resources required to solve classically intractable problems within these science domains. This review also shows that the quantum resources required have consistently decreased over time due to algorithmic improvements and a deeper understanding of the problems. At the same time, public technology roadmaps from a collection of ten quantum computing companies predict a dramatic increase in capabilities over the next five to ten years. Our analysis reveals a significant overlap emerging in this time frame between the technological capabilities and the algorithmic requirements in these three scientific domains. We anticipate that the execution time of large-scale quantum workflows will become a major performance parameter and propose a simple metric, the Sustained Quantum System Performance (SQSP), to compare system-level performance and throughput for a heterogeneous workload.

97 MATHEMATICS AND COMPUTING