5,607 research outputs found
On a general implementation of - and -adaptive curl-conforming finite elements
Edge (or N\'ed\'elec) finite elements are theoretically sound and widely used
by the computational electromagnetics community. However, its implementation,
specially for high order methods, is not trivial, since it involves many
technicalities that are not properly described in the literature. To fill this
gap, we provide a comprehensive description of a general implementation of edge
elements of first kind within the scientific software project FEMPAR. We cover
into detail how to implement arbitrary order (i.e., -adaptive) elements on
hexahedral and tetrahedral meshes. First, we set the three classical
ingredients of the finite element definition by Ciarlet, both in the reference
and the physical space: cell topologies, polynomial spaces and moments. With
these ingredients, shape functions are automatically implemented by defining a
judiciously chosen polynomial pre-basis that spans the local finite element
space combined with a change of basis to automatically obtain a canonical basis
with respect to the moments at hand. Next, we discuss global finite element
spaces putting emphasis on the construction of global shape functions through
oriented meshes, appropriate geometrical mappings, and equivalence classes of
moments, in order to preserve the inter-element continuity of tangential
components of the magnetic field. Finally, we extend the proposed methodology
to generate global curl-conforming spaces on non-conforming hierarchically
refined (i.e., -adaptive) meshes with arbitrary order finite elements.
Numerical results include experimental convergence rates to test the proposed
implementation
A scalable parallel finite element framework for growing geometries. Application to metal additive manufacturing
This work introduces an innovative parallel, fully-distributed finite element
framework for growing geometries and its application to metal additive
manufacturing. It is well-known that virtual part design and qualification in
additive manufacturing requires highly-accurate multiscale and multiphysics
analyses. Only high performance computing tools are able to handle such
complexity in time frames compatible with time-to-market. However, efficiency,
without loss of accuracy, has rarely held the centre stage in the numerical
community. Here, in contrast, the framework is designed to adequately exploit
the resources of high-end distributed-memory machines. It is grounded on three
building blocks: (1) Hierarchical adaptive mesh refinement with octree-based
meshes; (2) a parallel strategy to model the growth of the geometry; (3)
state-of-the-art parallel iterative linear solvers. Computational experiments
consider the heat transfer analysis at the part scale of the printing process
by powder-bed technologies. After verification against a 3D benchmark, a
strong-scaling analysis assesses performance and identifies major sources of
parallel overhead. A third numerical example examines the efficiency and
robustness of (2) in a curved 3D shape. Unprecedented parallelism and
scalability were achieved in this work. Hence, this framework contributes to
take on higher complexity and/or accuracy, not only of part-scale simulations
of metal or polymer additive manufacturing, but also in welding, sedimentation,
atherosclerosis, or any other physical problem where the physical domain of
interest grows in time
Improvements to the APBS biomolecular solvation software suite
The Adaptive Poisson-Boltzmann Solver (APBS) software was developed to solve
the equations of continuum electrostatics for large biomolecular assemblages
that has provided impact in the study of a broad range of chemical, biological,
and biomedical applications. APBS addresses three key technology challenges for
understanding solvation and electrostatics in biomedical applications: accurate
and efficient models for biomolecular solvation and electrostatics, robust and
scalable software for applying those theories to biomolecular systems, and
mechanisms for sharing and analyzing biomolecular electrostatics data in the
scientific community. To address new research applications and advancing
computational capabilities, we have continually updated APBS and its suite of
accompanying software since its release in 2001. In this manuscript, we discuss
the models and capabilities that have recently been implemented within the APBS
software package including: a Poisson-Boltzmann analytical and a
semi-analytical solver, an optimized boundary element solver, a geometry-based
geometric flow solvation model, a graph theory based algorithm for determining
p values, and an improved web-based visualization tool for viewing
electrostatics
Grid generation for the solution of partial differential equations
A general survey of grid generators is presented with a concern for understanding why grids are necessary, how they are applied, and how they are generated. After an examination of the need for meshes, the overall applications setting is established with a categorization of the various connectivity patterns. This is split between structured grids and unstructured meshes. Altogether, the categorization establishes the foundation upon which grid generation techniques are developed. The two primary categories are algebraic techniques and partial differential equation techniques. These are each split into basic parts, and accordingly are individually examined in some detail. In the process, the interrelations between the various parts are accented. From the established background in the primary techniques, consideration is shifted to the topic of interactive grid generation and then to adaptive meshes. The setting for adaptivity is established with a suitable means to monitor severe solution behavior. Adaptive grids are considered first and are followed by adaptive triangular meshes. Then the consideration shifts to the temporal coupling between grid generators and PDE-solvers. To conclude, a reflection upon the discussion, herein, is given
Performance and Optimization Abstractions for Large Scale Heterogeneous Systems in the Cactus/Chemora Framework
We describe a set of lower-level abstractions to improve performance on
modern large scale heterogeneous systems. These provide portable access to
system- and hardware-dependent features, automatically apply dynamic
optimizations at run time, and target stencil-based codes used in finite
differencing, finite volume, or block-structured adaptive mesh refinement
codes.
These abstractions include a novel data structure to manage refinement
information for block-structured adaptive mesh refinement, an iterator
mechanism to efficiently traverse multi-dimensional arrays in stencil-based
codes, and a portable API and implementation for explicit SIMD vectorization.
These abstractions can either be employed manually, or be targeted by
automated code generation, or be used via support libraries by compilers during
code generation. The implementations described below are available in the
Cactus framework, and are used e.g. in the Einstein Toolkit for relativistic
astrophysics simulations
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