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Showing 1 to 20 of 23 for “"PETSc"”.
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Performance evaluation and enhancement of Dendro
… and class-hierarchy. We used the PETSC profiler to collect the performance statistics and instrument the code to know which part of the code takes most of the time. Along with the function-specific execution timings, PETSC profiler also provides the information regarding how many …
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Performance Modeling and Prediction for the Scalable Solution of Partial Differential Equations on Unstructured Grids
… Extensible Toolkit for Scientific Computing (PETSc) library for distributed memory architectures. Using this newly instrumented code (called PETSc-FUN3D) as an example of a typical PDE solver, we demonstrate some strategies that are effective in tolerating the latencies arising from the …
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A parallel second order Cartesian method for elliptic interface problems and its application to tumor growth model
… of its parallelization, performed with the PETSc library, are provided. Numerical validations of the method follow with comparisons to other related methods in literature. A numerical study of the parallelized method is also given. Then, the method is applied to solve elliptic irregular …
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Numerical Treatment of Schrödinger’s Equation for One-Particle and Two-Particle Systems Using Matrix Method
… eigenvalues and eigenfunctions with the help of PETSc and SLEPc open-source packages. The eigenvalues represent the energies, and eigenfunctions represent the orbitals of atoms.</p> <p>The test cases include both one-particle and two-particle systems. The singularity poses an issue in the …
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A Parallel Boundary Conforming Method on Adaptive Moving Meshes for Multiphase Flows
… (Li, 2013); parallel linear solvers provided by PETSc are used to solve the discretised incompressible Navier-Stokes equations. There are several important advantages of the boundary conforming method on unstructured meshes. The method is accurate in computing curvature and in resolving the …
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Manufacturability and Analysis of Topologically Optimized Continuous Fiber Reinforced Composites
… written in the C-programming language using the PETSc library. A load case is validated against MSC NASTRAN.</p>
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Development and application of a parallel compositional reservoir simulator
… parallel solver packages (SAMG, Hypre, and PETSc) in the parallel simulator. Then, the performances of the solver packages were improved in terms of the input parameters for solving large-scale reservoir simulation problems. The developed parallel simulator has expanded the capability of the …
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From efficient high-order methods to scientific machine learning.
… Numerical experiments using Firedrake, PETSc, and PyTorch, respectively confirm our theory and demonstrate the efficacy of the software and our solver techniques for each case.
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Orbital-free density functional theory using higher-order finite differences
… Extensible Toolkit for scientific computations (PETSc) suite of data structures and routines. The communication between processors is handled via the Message Passing Interface(MPI). We implement this formulation using the finite-difference discretization, using which we demonstrate that …
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Calculating thermochemical equilibrium for multiphysics simulations of nuclear materials : development of yellowjacket gibbs energy minimiser
… Extensible Toolkit for Scientific Computation (PETSc) were used to efficiently solve the optimisation problem. In doing so, the work contributes to the understanding of MQMQA which until recently wasn’t well comprehended. Ensuring that the solver gives a true equilibrium solution also requires …
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An Object-Oriented Algorithmic Laboratory for Ordering Sparse Matrices
… and interfaces to C, C++, Matlab, and PETSc. <em>Spindle</em> is freely available and can be built on a variety of UNIX platforms as well as WindowsNT.</p>
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Geometric Integrators for Hamiltonian PDEs
… we have developed an extension class library for PETSc [8], the <em>Dynamical Systems Toolkit</em> (DST), that implements parallel mesh manipulation and discrete grid function and operator routines, which serve as the basic building blocks for efficient geometric integrators. While a piece of …
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From efficient high-order methods to scientific machine learning.
… Numerical experiments using Firedrake, PETSc, and PyTorch, respectively confirm our theory and demonstrate the efficacy of the software and our solver techniques for each case.
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Domain Decomposition Preconditioners for Hermite Collocation Problems
… even better than that provided by the well-known PETSc parallel software library for scientific computing.
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A Computational Framework for Long-Term Atomistic Analysis of Solute Diffusion in Nanomaterials
… based on Message Passing Interface (MPI) and the PETSc/TAO library for large-scale simulations. Next, the computational framework is validated and assessed in two groups of numerical experiments that simulate hydrogen mass transport in palladium. Specifically, the framework is validated against a …
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Hierarchical design of morphing shape-memory polymer structures via topology optimization
… and sensitivity calculations are combined in an PETSc-based optimization framework to enable efficient multi-functional, multimaterial structural design with controlled deformations. In stage II of the design process, the basic twisting and bending structures are fabricated and their kinematic …
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Hessian Matrix-Free Lagrange-Newton-Krylov-Schur-Schwarz Methods for Elliptic Inverse Problems
… framework of the available parallel PDE software PETSc and the automatic differentiation software ADIC. The algorithm is also extendable to three-dimensional problems.</p>
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The solution of large viscoelastic flow problems using parallel iterative techniques
… The software is implemented using MPI and the PETSc toolkit, so as to be readily portable to a variety of parallel computers. This solver is developed in the context of the natural convection problem, where in the limit of high Grashof number, the linear system that arises during solution for …
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Structure-Preserving High Performance Computational Methods for Transport in Porous Media
… Extensible Toolkit for Scientific Computations (PETSc) and the Massively Parallel Reactive Flow and Transport (PFLOTRAN) libraries, have been developed to help predict subsurface phenomena and are used by many of today’s leading hydrologists and geophysicists alike, but till date, the …
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Modeling of three-dimensional viscoelastic flows with free surfaces using a finite element method
… A parallel Poisson equation solver which uses PETSc is presented (the source code is available upon request) as a simple template which highlights the required structures needed in a parallel finite element code.
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