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All sourcesNASA NTRSDOE OSTI
NASA NTRS2002

ASTROP2-LE: A Mistuned Aeroelastic Analysis System Based on a Two Dimensional Linearized Euler Solver

An aeroelastic analysis system for flutter and forced response analysis of turbomachines based on a two-dimensional linearized unsteady Euler solver has been developed. The ASTROP2 code, an aeroelastic stability analysis program for turbomachinery, was used as a basis for this development. The ASTROP2 code uses strip theory to couple a two dimensional aerodynamic model with a three dimensional structural model. The code was modified to include forced response capability. The formulation was also modified to include aeroelastic analysis with mistuning. A linearized unsteady Euler solver, LINFLX2D is added to model the unsteady aerodynamics in ASTROP2. By calculating the unsteady aerodynamic loads using LINFLX2D, it is possible to include the effects of transonic flow on flutter and forced response in the analysis. The stability is inferred from an eigenvalue analysis. The revised code, ASTROP2-LE for ASTROP2 code using Linearized Euler aerodynamics, is validated by comparing the predictions with those obtained using linear unsteady aerodynamic solutions.

Reddy, T. S. R.↗
DOE OSTI2020

Compare linear-system solver and preconditioner stacks with emphasis on GPU performance and propose phase-2 NGP solver development pathway

The goal of the ExaWind project is to enable predictive simulations of wind farms comprised of many megawatt-scale turbines situated in complex terrain. Predictive simulations will require computational fluid dynamics (CFD) simulations for which the mesh resolves the geometry of the turbines and captures the rotation and large deflections of blades. Whereas such simulations for a single turbine are arguably petascale class, multi-turbine wind farm simulations will require exascale-class resources. The primary physics codes in the ExaWind project are Nalu-Wind, which is an unstructured-grid solver for the acoustically incompressible Navier-Stokes equations, and OpenFAST, which is a whole-turbine simulation code. The Nalu-Wind model consists of the mass-continuity Poisson-type equation for pressure and a momentum equation for the velocity. For such modeling approaches, simulation times are dominated by linear-system setup and solution for the continuity and momentum systems. For the ExaWind challenge problem, the moving meshes greatly affect overall solver costs as reinitialization of matrices and recomputation of preconditioners is required at every time step. In this report we evaluated GPU-performance baselines for the linear solvers in the Trilinos and hypre solver stacks using two representative Nalu-Wind simulations: an atmospheric boundary layer precursor simulation on a structured mesh, and a fixed-wing simulation using unstructured overset meshes. Both strong-scaling and weak-scaling experiments were conducted on the OLCF supercomputer Summit and similar proxy clusters. We focused on the performance of multi-threaded Gauss-Seidel and two-stage Gauss-Seidel that are extensions of classical Gauss-Seidel; of one-reduce GMRES, a communication-reducing variant of the Krylov GMRES; and algebraic multigrid methods that incorporate the afore-mentioned methods. The team has established that AMG methods are capable of solving linear systems arising from the fixed-wing overset meshes on CPU, a critical intermediate result for ExaWind FY20 Q3 and Q4 milestones. For the fixed-wing strong-scaling study (model with 3M grid-points), the team identified that Nalu-Wind simulations with the new Trilinos and hypre solvers scale to modest GPU counts, maintaining above 70% efficiency up to 6 GPUs. However, there still remain significant bottlenecks to performance: matrix assembly (hypre), AMG setup (hypre and Trilinos) In the weak-scaling experiments (going from 0.4M to 211M gridpoints), it's shown that the solver apply phases are faster on GPUs, but that Nalu-Wind simulation times grow, primarily due to the multigrid-setup process. Finally, based on the report outcomes, we propose a linear solver path-forward for the remainder of the ExaWind project. Near term, the NREL team will continue their work on GPU-based linear-system assembly. They will also investigate how the use of alternatives to the NVIDIA UVM (unified virtual memory) paradigm affects performance. Longer term, the NREL team will evaluate algorithmic performance on other types of accelerators and merge their improvements back to the main hypre repository branch. Near term, the Trilinos team will address performance bottlenecks identified in this milestone, such as implementing a GPU-based segregated momentum solve and reusing matrix graphs across linear-system assembly phases. Longer term, the Trilinos team will do detailed analysis and optimization of multigrid setup.

17 WIND ENERGY↗
DOE OSTI2021

Linear and Nonlinear Solvers for Simulating Multiphase Flow within Large-Scale Engineered Subsurface Systems

Simulation of multiphase flow in the subsurface is well-known to be computationally challenging. While there have been many studies that have explored approaches to overcoming these challenges, they often utilize relatively simple case studies. In this paper, we focus on the unique numerical challenges posed by modeling large-scale engineered subsurface systems, characterized by discrete features embedded in a heterogeneous natural subsurface setting. The man-made features such as shafts, tunnels, and barriers often cause multiple challenges in modeling the domain for multiphase porous media flow. This flow scenario can have a wide range of applications such as nuclear waste repositories, enhanced recovery of a petroleum reservoir, geothermal engineering, and carbon sequestration. An example of these severe numerical challenges is the case of performance assessment (PA) for Waste Isolation Pilot Plant (WIPP), the only operating deep geological repository in the US, which simulates extreme material properties of bedded salt rock formation and extreme contrast due to open excavation next to the formation. The models have extremes not only of permeability and porosity but also of the constitutive models needed for multiphase flow; additionally, they have process models like salt creep closure reducing porosity over time, fracturing in clay and anhydrite interbeds of the bedded salt, gas generation from the waste materials, and unintentional human borehole intrusions in some scenarios. Numerical simulations require the solution of coupled systems of nonlinear PDEs; in our work, we use the open-source simulator PFLOTRAN which is based on Finite Volume discretization. The solution of the nonlinear equations requires use of the Newton-Raphson iteration at each time step, which entails the solution of the linearized Jacobian system at each iteration. The effects of all the processes (i.e., large number of unknowns, highly nonlinear constitutive relations, large contrasts in material properties in short distances) lead to an ill-conditioned Jacobian matrix that severely challenges traditional linear solver, i.e., stabilized biconjugate gradient with block Jacobi incomplete LU preconditioner (BCGS-ILU) leading to non-convergence for traditional Newton-Raphson nonlinear solver causing unacceptably long computation time for each model. This paper presents linear solvers such as constrained pressure residual (CPR) two-stage preconditioner with alternate-block-factorization (ABF) and quasi- implicit pressure and explicit saturation (QIMPES) decouplers and flexible generalized residual solver (FGMRES). The new general-purpose nonlinear solver, Newton trust-region dogleg Cauchy (NTRDC), is also introduced to resolve extreme nonlinearities in the models. We demonstrate the effectiveness of each method relative to the default BCGS-Newton solver. The two best cases had nearly 50 times speed-up and achieved completion of a simulation in 14 hours that never completed due to non-convergence with the default solver. We also investigate the strong scalability of each method and discuss some of the deficiencies found for Block Jacobi preconditioner using parallel domain decomposition, and node packing effects of modern processor architecture.

Preconditioner, Nonlinear, Porous media, Multiphas↗
NASA NTRS1990

Linear iterative solvers for implicit ODE methods

The numerical solution of stiff initial value problems, which lead to the problem of solving large systems of mildly nonlinear equations are considered. For many problems derived from engineering and science, a solution is possible only with methods derived from iterative linear equation solvers. A common approach to solving the nonlinear equations is to employ an approximate solution obtained from an explicit method. The error is examined to determine how it is distributed among the stiff and non-stiff components, which bears on the choice of an iterative method. The conclusion is that error is (roughly) uniformly distributed, a fact that suggests the Chebyshev method (and the accompanying Manteuffel adaptive parameter algorithm). This method is described, also commenting on Richardson's method and its advantages for large problems. Richardson's method and the Chebyshev method with the Mantueffel algorithm are applied to the solution of the nonlinear equations by Newton's method.

Saylor, Paul E.↗
DOE OSTI2025

Limitations of Fault-Tolerant Quantum Linear System Solvers for Quantum Power Flow

Quantum computers hold promise for solving problems intractable for classical computers, especially those with high time or space complexity. Practical quantum advantage can be said to exist for such problems when the end-to-end time for solving such a problem using a classical algorithm exceeds that required by a quantum algorithm. Reducing the power flow (PF) problem into a linear system of equations allows for the formulation of quantum PF (QPF) algorithms, which are based on solving methods for quantum linear systems such as the Harrow-Hassidim-Lloyd (HHL) algorithm. Speedup from using QPF algorithms is often claimed to be exponential when compared to classical PF solved by state-of-the-art algorithms. Here, we investigate the potential for practical quantum advantage in solving QPF compared to classical methods on gate-based quantum computers. Notably, this paper does not present a new QPF solving algorithm but scrutinizes the end-to-end complexity of the QPF approach, providing a nuanced evaluation of the purported quantum speedup in this problem. Our analysis establishes a best-case bound for the HHL-based quantum power flow complexity, conclusively demonstrating that the HHL-based method has higher runtime complexity compared to the classical algorithm for solving the direct current power flow (DCPF) and fast decoupled load flow (FDLF) problem. Notably, our analysis and conclusions can be extended to any quantum linear system solver with rigorous performance guarantees, based on the known complexity lower bounds for this problem. Additionally, we establish that for potential practical quantum advantage (PQA) to exist it is necessary to consider DCPF-type problems with a very narrow range of condition number values and readout requirements.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
NASA NTRS1994

Using parallel banded linear system solvers in generalized eigenvalue problems

Subspace iteration is a reliable and cost effective method for solving positive definite banded symmetric generalized eigenproblems, especially in the case of large scale problems. This paper discusses an algorithm that makes use of two parallel banded solvers in subspace iteration. A shift is introduced to decompose the banded linear systems into relatively independent subsystems and to accelerate the iterations. With this shift, an eigenproblem is mapped efficiently into the memories of a multiprocessor and a high speedup is obtained for parallel implementations. An optimal shift is a shift that balances total computation and communication costs. Under certain conditions, we show how to estimate an optimal shift analytically using the decay rate for the inverse of a banded matrix, and how to improve this estimate. Computational results on iPSC/2 and iPSC/860 multiprocessors are presented.

DISTRIBUTED MEMORY MULTIPROCES↗
NASA NTRS1991

ALPS: A Linear Program Solver

ALPS is a computer program which can be used to solve general linear program (optimization) problems. ALPS was designed for those who have minimal linear programming (LP) knowledge and features a menu-driven scheme to guide the user through the process of creating and solving LP formulations. Once created, the problems can be edited and stored in standard DOS ASCII files to provide portability to various word processors or even other linear programming packages. Unlike many math-oriented LP solvers, ALPS contains an LP parser that reads through the LP formulation and reports several types of errors to the user. ALPS provides a large amount of solution data which is often useful in problem solving. In addition to pure linear programs, ALPS can solve for integer, mixed integer, and binary type problems. Pure linear programs are solved with the revised simplex method. Integer or mixed integer programs are solved initially with the revised simplex, and the completed using the branch-and-bound technique. Binary programs are solved with the method of implicit enumeration. This manual describes how to use ALPS to create, edit, and solve linear programming problems. Instructions for installing ALPS on a PC compatible computer are included in the appendices along with a general introduction to linear programming. A programmers guide is also included for assistance in modifying and maintaining the program.

Ferencz, Donald C.↗
DOE OSTI2025

Variational quantum and neural quantum states algorithms for the linear complementarity problem

Variational quantum algorithms (VQAs) are promising hybrid quantum-classical methods designed to leverage the computational advantages of quantum computing while mitigating the limitations of current noisy intermediate-scale quantum (NISQ) hardware. Although VQAs have been demonstrated as proofs of concept, their practical utility in solving real-world problems—and whether quantum-inspired classical algorithms can match their performance—remains an open question. We present a novel application of the variational quantum linear solver (VQLS) and its classical neural quantum states-based counterpart, the variational neural linear solver (VNLS), as key components within a minimum map Newton solver for a complementarity-based rigid-body contact model. We demonstrate using the VNLS that our solver accurately simulates the dynamics of rigid spherical bodies during collision events. These results suggest that quantum and quantum-inspired linear algebra algorithms can serve as viable alternatives to standard linear algebra solvers for modelling certain physical systems.

neural quantum states↗
NASA NTRS2004

LINFLUX-AE: A Turbomachinery Aeroelastic Code Based on a 3-D Linearized Euler Solver

This report describes the development and validation of LINFLUX-AE, a turbomachinery aeroelastic code based on the linearized unsteady 3-D Euler solver, LINFLUX. A helical fan with flat plate geometry is selected as the test case for numerical validation. The steady solution required by LINFLUX is obtained from the nonlinear Euler/Navier Stokes solver TURBO-AE. The report briefly describes the salient features of LINFLUX and the details of the aeroelastic extension. The aeroelastic formulation is based on a modal approach. An eigenvalue formulation is used for flutter analysis. The unsteady aerodynamic forces required for flutter are obtained by running LINFLUX for each mode, interblade phase angle and frequency of interest. The unsteady aerodynamic forces for forced response analysis are obtained from LINFLUX for the prescribed excitation, interblade phase angle, and frequency. The forced response amplitude is calculated from the modal summation of the generalized displacements. The unsteady pressures, work done per cycle, eigenvalues and forced response amplitudes obtained from LINFLUX are compared with those obtained from LINSUB, TURBO-AE, ASTROP2, and ANSYS.

Reddy, T. S. R.↗
NASA NTRS2018

A Linear-Elasticity Solver for Higher-Order Space-Time Mesh Deformation

A linear-elasticity approach is presented for the generation of meshes appropriate for a higher-order space-time discontinuous finite-element method. The equations of linear-elasticity are discretized using a higher-order, spatially-continuous, finite-element method. Given an initial finite-element mesh, and a specified boundary displacement, we solve for the mesh displacements to obtain a higher-order curvilinear mesh. Alternatively, for moving-domain problems we use the linear-elasticity approach to solve for a temporally discontinuous mesh velocity on each time-slab and recover a continuous mesh deformation by integrating the velocity. The applicability of this methodology is presented for several benchmark test cases.

higher-order↗
DOE OSTI2023

PETSc/TAO Users Manual (Rev. 3.19)

This manual describes the use of the Portable, Extensible Toolkit for Scientific Computation (PETSc) and the Toolkit for Advanced Optimization (TAO) for the numerical solution of partial differential equations and related problems on high-performance computers. PETSc/TAO is a suite of data structures and routines that provide the building blocks for the implementation of large-scale application codes on parallel (and serial) computers. PETSc uses the MPI standard for all distributed memory communication. PETSc/TAO includes a large suite of parallel linear solvers, nonlinear solvers, time integrators, and opti mization that may be used in application codes written in Fortran, C, C++, and Python (via petsc4py; see Getting Started). PETSc provides many of the mechanisms needed within parallel application codes, such as parallel matrix and vector assembly routines. The library is organized hierarchically, enabling users to employ the level of abstraction that is most appropriate for a particular problem. By using techniques of object-oriented programming, PETSc provides enormous flexibility for users. PETSc is a sophisticated set of software tools; as such, for some users it initially has a much steeper learning curve than packages such as MATLAB or a simple subroutine library. In particular, for individuals without some computer science background, experience programming in C, C++, python, or Fortran and experience using a debugger such as gdb or lldb, it may require a significant amount of time to take full advantage of the features that enable efficient software use. However, the power of the PETSc design and the algorithms it incorporates may make the efficient implementation of many application codes simpler than “rolling them” yourself. For many tasks a package such as MATLAB is often the best tool; PETSc is not intended for the classes of problems for which effective MATLAB code can be written. There are several packages, built on PETSc, that may satisfy your needs without requiring directly using PETSc. We recommend reviewing these packages functionality before starting to code directly with PETSc. PETSc can be used to provide a “MPI parallel linear solver” in an otherwise sequential, or OpenMP parallel code. This approach cannot provide extremely large improvements in the application time by utilizing large numbers of MPI processes but can still improve the performance. Certainly all parts of a previously sequential code need not be parallelized but the matrix generation portion must be parallelized to expect true scalability to large numbers of MPI processes. See PCMPI for details on how to utilize the PETSc MPI linear solver server. Since PETSc is under continued development, small changes in usage and calling sequences of routines will occur. PETSc has been supported for twenty-five years; see mailing list information on our website for information on contacting support.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1992

Menu-Driven Solver Of Linear-Programming Problems

Program assists inexperienced user in formulating linear-programming problems. A Linear Program Solver (ALPS) computer program is full-featured LP analysis program. Solves plain linear-programming problems as well as more-complicated mixed-integer and pure-integer programs. Also contains efficient technique for solution of purely binary linear-programming problems. Written entirely in IBM's APL2/PC software, Version 1.01. Packed program contains licensed material, property of IBM (copyright 1988, all rights reserved).

Viterna, L. A.↗
NASA NTRSDate not supplied

Recent Progress in OVERFLOW Convergence Improvements

Improvements have been made to the implicit symmetric successive overrelaxation algorithm in the OVERFLOW 2.3 structured, overset grid, computational fluid dynamics flow solver. These improvements, consisting of implicit boundary conditions, improved flux Jacobian linearizations, and CFL number ramping, are a series of evolutionary changes to the linear solver that have resulted in increased nonlinear convergence rates and faster time to solution. A series of test cases are presented that demonstrate the effect of the changes through comparison with the original SSOR path and other linear solver implementations within OVERFLOW.

Joseph M Derlaga↗
NASA NTRS2017

Numerical Simulation of Illumination and Thermal Conditions at the Lunar Poles Using LOLA DTMs

We are interested in illumination conditions and the temperature distribution within the upper two meters of regolith near the lunar poles. Here, areas exist receiving almost constant illumination near areas in permanent shadow, which were identified as potential exploration sites for future missions. For our study a numerical simulation of the illumination and thermal environment for lunar near-polar regions is needed. Our study is based on high-resolution, twenty meters per pixel and 400 x 400 km large polar Digital Terrain Models (DTMs), which were derived from Lunar Orbiter Laser Altimeter (LOLA) data. Illumination conditions were simulated by synthetically illuminating the LOLA DTMs using the horizon method considering the Sun as an extended source. We model polar illumination for the central 50 x 50 km subset and use it as an input at each time-step (2 h) to evaluate the heating of the lunar surface and subsequent conduction in the sub-surface. At surface level we balance the incoming insolation with the subsurface conduction and radiation into space, whereas in the sub-surface we consider conduction with an additional constant radiogenic heat source at the bottom of our two-meter layer. Density is modeled as depth-dependent, the specific heat parameter as temperature-dependent and the thermal conductivity as depth- and temperature-dependent. We implemented a fully implicit finite-volume method in space and backward Euler scheme in time to solve the one-dimensional heat equation at each pixel in our 50 x 50 km DTM. Due to the non-linear dependencies of the parameters mentioned above, Newton's method is employed as the non-linear solver together with the Gauss-Seidel method as the iterative linear solver in each Newton iteration. The software is written in OpenCL and runs in parallel on the GPU cores, which allows for fast computation of large areas and long time scales.

Glaser, P.↗
DOE OSTI2024

A Performance and Energy Study of GPU-Resident Preconditioners for Conjugate Gradient Solvers: In the Context of Existing and Novel Approaches

Optimizing a particular subprogram out of the set of Basic (sparse) Linear Algebra Subprograms (BLAS) for a given architecture is a common topic of research. In applications, however, these BLAS functions rarely appear in isolation; usually, many of them are used together, in various combinations and with varying inputs. As the need to solve a large, sparse linear system is ubiquitous throughout HPC applications, linear solvers constitute a realistic, sufficiently complex and well-defined representative use case for composite BLAS routines. To this end, based on a representative set of matrices drawn from a diverse set of fields, we present a framework to study, from the performance and energy perspective, the efficacy of GPU- resident parallel Conjugate Gradient (CG) linear solver with different preconditioner options, including Gauss-Seidel, Jacobi, and incomplete Cholesky. We also propose a novel GPU-based preconditioner, in which the triangular solves are approximated by an iterative process. The development of this preconditioner was motivated by solving large graph Laplacian linear systems, for which the existing preconditioners either perform slow on GPU-based platforms or are not applicable. We compare the performance of these preconditioners on different hardware accelerator architectures, i.e., AMD MI250X, MI100, Nvidia A100, V100, and Jetson. Our experiments reveal performance trade-offs and provide information on how to select the best strategy for the given linear system, dictated by its properties, and the platform of interest. We demonstrate the application of our novel preconditioner for solving CG and graph Laplacian systems. Overall, the framework can be utilized as a benchmark to guide informed decisions in choosing a specific preconditioner, i.e., whether it is better to rely on the performance of a triangular solver or on the performance of sparse matrix-vector product. Finally, by considering power consumption to solve the linear systems, we report the energy footprint for the solvers.

Preconditioned Conjugate Gradient, GPUs, iterative↗
NASA NTRS1978

Semidirect calculation of steady two- and three-dimensional flows

This paper describes a semidirect method for rapidly solving steady-state viscous flows described by the complete Navier-Stokes equations. The current results are for two-dimensional incompressible flows in general channels at arbitrary Reynolds numbers, but work in progress on compressible and three-dimensional flows is also described. The basic concept of semidirect methods is to use the recently developed fast (direct, or noniterative) linear solvers to solve linearized equations, which are then iterated to solve the nonlinearity. The method used here is an extension of the Split NOS method (Roache, 1975)

Roache, P. J.↗
NASA NTRS1993

Using parallel banded linear system solvers in generalized eigenvalue problems

Subspace iteration is a reliable and cost effective method for solving positive definite banded symmetric generalized eigenproblems, especially in the case of large scale problems. This paper discusses an algorithm that makes use of two parallel banded solvers in subspace iteration. A shift is introduced to decompose the banded linear systems into relatively independent subsystems and to accelerate the iterations. With this shift, an eigenproblem is mapped efficiently into the memories of a multiprocessor and a high speed-up is obtained for parallel implementations. An optimal shift is a shift that balances total computation and communication costs. Under certain conditions, we show how to estimate an optimal shift analytically using the decay rate for the inverse of a banded matrix, and how to improve this estimate. Computational results on iPSC/2 and iPSC/860 multiprocessors are presented.

Zhang, Hong↗
NASA NTRS1989

Parallel linear equation solvers for finite element computations

The overall objective of this research is to develop efficient methods for the solution of linear and nonlinear systems of equations on parallel and supercomputers, and to apply these methods to the solution of problems in structural analysis. Attention has been given so far only to linear equations. The methods considered for the solution of the stiffness equation Kx=f have been Choleski factorization and the conjugate gradient iteration with SSOR and Incomplete Choleski preconditioning. More detail on these methods will be given on subsequent slides. These methods have been used to solve for the static displacements for the mast and panel focus problems in conjunction with the CSM testbed system based on NICE/SPAR.

Ortega, James M.↗