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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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NASA NTRS1985

Some Recent Developments in Numerical Modelling at ECMWF

A new atmospheric model was introduced into operational forecasting at the European Center for Medium Range Weather Forecasts, on 21 April 1983. The principal differences between this model and the Center's first operational model were in the adiabatic formulation, which, in the new model, includes use of a spectral representation in the horizontal, a more general vertical coordinate, and a modified, more-efficient, time-stepping scheme. In addition, new programming techniques and standards were adopted to facilitate both the model's use as a research tool and its adaptation to make full use of the features of the recently-acquired CRAY X-MP computer. A number of revisions were also made in detailed aspects of the formulation of the parameterization schemes. The operational change to this new model was accompanied by a second important change, namely the use of a higher envelope orography in the lower boundary conditions of the model. Problems in the operational performance of the model and development preparatory to the future operational implementation of a high resolution version of the model on the CRAY X-MP are discussed.

Simmons, A. J.↗
NASA NTRS1985

CDCCRAY

The CDCCRAY is a FORTRAN subroutine which runs on the Cray and converts 32 or 64 bit binary data from the CDC Cyber 205 to the corresponding 64 bit binary data for the Cray X-MP. The CDCCRAY's purpose, usage, storage, timing consideration, and linkage editing are discussed.

Guest, C. J.↗
NASA NTRS1986

Algorithms versus architectures for computational chemistry

The algorithms employed are computationally intensive and, as a result, increased performance (both algorithmic and architectural) is required to improve accuracy and to treat larger molecular systems. Several benchmark quantum chemistry codes are examined on a variety of architectures. While these codes are only a small portion of a typical quantum chemistry library, they illustrate many of the computationally intensive kernels and data manipulation requirements of some applications. Furthermore, understanding the performance of the existing algorithm on present and proposed supercomputers serves as a guide for future programs and algorithm development. The algorithms investigated are: (1) a sparse symmetric matrix vector product; (2) a four index integral transformation; and (3) the calculation of diatomic two electron Slater integrals. The vectorization strategies are examined for these algorithms for both the Cyber 205 and Cray XMP. In addition, multiprocessor implementations of the algorithms are looked at on the Cray XMP and on the MIT static data flow machine proposed by DENNIS.

Partridge, H.↗
NASA NTRS1986

Theoretical research program to study chemical reactions in AOTV bow shock tubes

Progress in the development of computational methods for the characterization of chemical reactions in aerobraking orbit transfer vehicle (AOTV) propulsive flows is reported. Two main areas of code development were undertaken: (1) the implementation of CASSCF (complete active space self-consistent field) and SCF (self-consistent field) analytical first derivatives on the CRAY X-MP; and (2) the installation of the complete set of electronic structure codes on the CRAY 2. In the area of application calculations the main effort was devoted to performing full configuration-interaction calculations and using these results to benchmark other methods. Preprints describing some of the systems studied are included.

Taylor, P.↗
NASA NTRS1987

Protostellar disks and the primitive solar nebula

The objective is to obtain quantitative information on the turbulent transport of mass, angular momentum, and energy under the conditions that characterize the solar nebula, by direct numerical calculations. These calculations were made possible by research conducted on supercomputers (Cray XMP and Cray 2) by the Ames Computational Fluid Dynamics Branch. Techniques were developed that permitted the accurate representation of turbulent flows over the full range of important eddy sizes. So far, these techniques were applied (and verified) primarily in mundane laboratory situations, but they have a strong potential for astrophysical applications. A sequence of numerical experiments were conducted to evaluate the Reynold's stress tensor, turbulent heat transfer rate, turbulent dissipation rate, and turbulent kinetic energy spectrum, as functions of position, for conditions relevant to the solar nebula. Emphasis is placed on the variation of these properties with appropriate nondimensional quantities, so that relations can be derived that will be useful for disk modeling under a variety of hypotheses and initial conditions.

Cassen, P. M.↗
NASA NTRS1987

Internal computational fluid mechanics on supercomputers for aerospace propulsion systems

The accurate calculation of three-dimensional internal flowfields for application towards aerospace propulsion systems requires computational resources available only on supercomputers. A survey is presented of three-dimensional calculations of hypersonic, transonic, and subsonic internal flowfields conducted at the Lewis Research Center. A steady state Parabolized Navier-Stokes (PNS) solution of flow in a Mach 5.0, mixed compression inlet, a Navier-Stokes solution of flow in the vicinity of a terminal shock, and a PNS solution of flow in a diffusing S-bend with vortex generators are presented and discussed. All of these calculations were performed on either the NAS Cray-2 or the Lewis Research Center Cray XMP.

Andersen, Bernhard H.↗
NASA NTRS1986

Application of data flow concepts to a multigrid solver for the Euler equations

In this study a multigrid solver for Euler equations (FLO52R) was examined to determine its performance potential on a hypothetical computer using a data flow architecture. The proposed computer would require massive parallelism to realize its design performance. On the other hand this parallelism would be more easily realized than with a conventional vector processor such as the Cray-1S. Several changes to the proposed design substantially alleviated most of the remaining bottlenecks to parallel processing. Other changes allowed clearer definition of memory access and disk I/O. Finally, a portion of the algorithm was rewritten to improve parallel performance. With these changes, performance levels approaching that of a Cray-1S may be possible for a computer costing far less. Estimates are given for overall speed, memory, and network bandwidth, and for instruction memory requirements.

Merriam, M. L.↗
NASA NTRS1987

Down-to-earth supercomputing at NASA Ames

The requirements for computers for aerospace vehicle design problems, in particular fluid dynamics, are examined. The levels of approximation to Navier-Stokes equations are: (1) linearized inviscid form, (2) nonlinear inviscid equation, (3) Reynolds-averaged Navier-Stokes equation, (4) large eddy simulation with models for subgrid scale turbulence, and (5) full Navier-Stokes equations to calculate laminar/turbulent transition and turbulence dissipation. The Cray 2 with 256 megaword memory and 4.1 nsec clock and the Cray X-MP/48 with a 128 megaword memory and a 9.5 nsec clock of the Ames facility are described, and an example revealing their applicability is presented. The use of zonal methods to simulate aerodynamic flow fields numerically is discussed. Consideration is given to the development of a program for simulation of aerodynamic flow fields, the compilers, symbolic debuggers, the scheduling of multiple CPUs, and the analysis and storage of the data.

Stevens, Kenneth G., Jr.↗
NASA NTRS1988

Vectorization of a particle simulation method for hypersonic rarefied flow

An efficient particle simulation technique for hypersonic rarefied flows is presented at an algorithmic and implementation level. The implementation is for a vector computer architecture, specifically the Cray-2. The method models an ideal diatomic Maxwell molecule with three translational and two rotational degrees of freedom. Algorithms are designed specifically for compatibility with fine grain parallelism by reducing the number of data dependencies in the computation. By insisting on this compatibility, the method is capable of performing simulation on a much larger scale than previously possible. A two-dimensional simulation of supersonic flow over a wedge is carried out for the near-continuum limit where the gas is in equilibrium and the ideal solution can be used as a check on the accuracy of the gas model employed in the method. Also, a three-dimensional, Mach 8, rarefied flow about a finite-span flat plate at a 45 degree angle of attack was simulated. It utilized over 10 to the 7th particles carried through 400 discrete time steps in less than one hour of Cray-2 CPU time. This problem was chosen to exhibit the capability of the method in handling a large number of particles and a true three-dimensional geometry.

Mcdonald, Jeffrey D.↗
NASA NTRS1989

CSM Testbed Development and Large-Scale Structural Applications

A research activity called Computational Structural Mechanics (CSM) conducted at the NASA Langley Research Center is described. This activity is developing advanced structural analysis and computational methods that exploit high-performance computers. Methods are developed in the framework of the CSM Testbed software system and applied to representative complex structural analysis problems from the aerospace industry. An overview of the CSM Testbed methods development environment is presented and some new numerical methods developed on a CRAY-2 are described. Selected application studies performed on the NAS CRAY-2 are also summarized.

Knight, Norman F., Jr.↗
NASA NTRS1989

Large-scale structural analysis: The structural analyst, the CSM Testbed and the NAS System

The Computational Structural Mechanics (CSM) activity is developing advanced structural analysis and computational methods that exploit high-performance computers. Methods are developed in the framework of the CSM testbed software system and applied to representative complex structural analysis problems from the aerospace industry. An overview of the CSM testbed methods development environment is presented and some numerical methods developed on a CRAY-2 are described. Selected application studies performed on the NAS CRAY-2 are also summarized.

Knight, Norman F., Jr.↗
NASA NTRS1989

Development of a Navier-Stokes algorithm for parallel-processing supercomputers

An explicit flow solver, applicable to the hierarchy of model equations ranging from Euler to full Navier-Stokes, is combined with several techniques designed to reduce computational expense. The computational domain consists of local grid refinements embedded in a global coarse mesh, where the locations of these refinements are defined by the physics of the flow. Flow characteristics are also used to determine which set of model equations is appropriate for solution in each region, thereby reducing not only the number of grid points at which the solution must be obtained, but also the computational effort required to get that solution. Acceleration to steady-state is achieved by applying multigrid on each of the subgrids, regardless of the particular model equations being solved. Since each of these components is explicit, advantage can readily be taken of the vector- and parallel-processing capabilities of machines such as the Cray X-MP and Cray-2.

Swisshelm, Julie M.↗
NASA NTRS1988

Solving large sparse eigenvalue problems on supercomputers

An important problem in scientific computing consists in finding a few eigenvalues and corresponding eigenvectors of a very large and sparse matrix. The most popular methods to solve these problems are based on projection techniques on appropriate subspaces. The main attraction of these methods is that they only require the use of the matrix in the form of matrix by vector multiplications. The implementations on supercomputers of two such methods for symmetric matrices, namely Lanczos' method and Davidson's method are compared. Since one of the most important operations in these two methods is the multiplication of vectors by the sparse matrix, methods of performing this operation efficiently are discussed. The advantages and the disadvantages of each method are compared and implementation aspects are discussed. Numerical experiments on a one processor CRAY 2 and CRAY X-MP are reported. Possible parallel implementations are also discussed.

Philippe, Bernard↗
NASA NTRS1988

Explicit and implicit solution of the Navier-Stokes equations on a massively parallel computer

The design, implementation, and performance of a two-dimensional time-accurate Navier-Stokes solver for the CM2 supercomputer are described. The program uses a single processor for each grid point. Two different time-stepping methods have so far been implemented: an explicit third-order Runge-Kutta method and an implicit approximation-factorization method. The CM2 results are checked against those of a mature well-vectorized Cray 2 program, both for correctness and performance. The code is found to be correct, and the performance in some cases is up to several times that of the Cray 2.

Levit, Creon↗
NASA NTRS1988

A high-performance FFT algorithm for vector supercomputers

Many traditional algorithms for computing the fast Fourier transform (FFT) on conventional computers are unacceptable for advanced vector and parallel computers because they involve nonunit, power-of-two memory strides. A practical technique for computing the FFT that avoids all such strides and appears to be near-optimal for a variety of current vector and parallel computers is presented. Performance results of a program based on this technique are given. Notable among these results is that a FORTRAN implementation of this algorithm on the CRAY-2 runs up to 77-percent faster than Cray's assembly-coded library routine.

Bailey, David H.↗
NASA NTRS1988

Development of an aerodynamics algorithm for parallel-processing supercomputers

An explicit flow solver, applicable to the hierarchy of model equations ranging from Euler to full Navier-Stokes, is combined with several techniques designed to reduce computational expense. The computational domain consists of local grid refinements embedded in a global coarse mesh, where the locations of these refinements are defined by the physics of the flow. Flow characteristics are also used to determine which set of model equations is appropriate for solution in each region, thereby reducing not only the number of grid points at which the solution must be obtained, but also the computational effort required to get that solution. Acceleration to steady-state is achieved by applying multigrid on each of the subgrids, regardless of the particular model equations being solved. Since each of these components is explicit, advantage can readily be taken of the vector- and parallel-processing capabilities of machines such as the Cray X-MP and Cray-2.

Swisshelm, Julie M.↗
NASA NTRS1990

Force user's manual: A portable, parallel FORTRAN

The use of Force, a parallel, portable FORTRAN on shared memory parallel computers is described. Force simplifies writing code for parallel computers and, once the parallel code is written, it is easily ported to computers on which Force is installed. Although Force is nearly the same for all computers, specific details are included for the Cray-2, Cray-YMP, Convex 220, Flex/32, Encore, Sequent, Alliant computers on which it is installed.

Jordan, Harry F.↗
NASA NTRS1990

A vectorized Lanczos eigensolver for high-performance computers

The computational strategies used to implement a Lanczos-based-method eigensolver on the latest generation of supercomputers are described. Several examples of structural vibration and buckling problems are presented that show the effects of using optimization techniques to increase the vectorization of the computational steps. The data storage and access schemes and the tools and strategies that best exploit the computer resources are presented. The method is implemented on the Convex C220, the Cray 2, and the Cray Y-MP computers. Results show that very good computation rates are achieved for the most computationally intensive steps of the Lanczos algorithm and that the Lanczos algorithm is many times faster than other methods extensively used in the past.

Bostic, Susan W.↗