2,241 research outputs found
ParMooN - a modernized program package based on mapped finite elements
{\sc ParMooN} is a program package for the numerical solution of elliptic and
parabolic partial differential equations. It inherits the distinct features of
its predecessor {\sc MooNMD} \cite{JM04}: strict decoupling of geometry and
finite element spaces, implementation of mapped finite elements as their
definition can be found in textbooks, and a geometric multigrid preconditioner
with the option to use different finite element spaces on different levels of
the multigrid hierarchy. After having presented some thoughts about in-house
research codes, this paper focuses on aspects of the parallelization for a
distributed memory environment, which is the main novelty of {\sc ParMooN}.
Numerical studies, performed on compute servers, assess the efficiency of the
parallelized geometric multigrid preconditioner in comparison with some
parallel solvers that are available in the library {\sc PETSc}. The results of
these studies give a first indication whether the cumbersome implementation of
the parallelized geometric multigrid method was worthwhile or not.Comment: partly supported by European Union (EU), Horizon 2020, Marie
Sk{\l}odowska-Curie Innovative Training Networks (ITN-EID), MIMESIS, grant
number 67571
A Study of Speed of the Boundary Element Method as applied to the Realtime Computational Simulation of Biological Organs
In this work, possibility of simulating biological organs in realtime using
the Boundary Element Method (BEM) is investigated. Biological organs are
assumed to follow linear elastostatic material behavior, and constant boundary
element is the element type used. First, a Graphics Processing Unit (GPU) is
used to speed up the BEM computations to achieve the realtime performance.
Next, instead of the GPU, a computer cluster is used. Results indicate that BEM
is fast enough to provide for realtime graphics if biological organs are
assumed to follow linear elastostatic material behavior. Although the present
work does not conduct any simulation using nonlinear material models, results
from using the linear elastostatic material model imply that it would be
difficult to obtain realtime performance if highly nonlinear material models
that properly characterize biological organs are used. Although the use of BEM
for the simulation of biological organs is not new, the results presented in
the present study are not found elsewhere in the literature.Comment: preprint, draft, 2 tables, 47 references, 7 files, Codes that can
solve three dimensional linear elastostatic problems using constant boundary
elements (of triangular shape) while ignoring body forces are provided as
supplementary files; codes are distributed under the MIT License in three
versions: i) MATLAB version ii) Fortran 90 version (sequential code) iii)
Fortran 90 version (parallel code
PoisFFT - A Free Parallel Fast Poisson Solver
A fast Poisson solver software package PoisFFT is presented. It is available
as a free software licensed under the GNU GPL license version 3. The package
uses the fast Fourier transform to directly solve the Poisson equation on a
uniform orthogonal grid. It can solve the pseudo-spectral approximation and the
second order finite difference approximation of the continuous solution. The
paper reviews the mathematical methods for the fast Poisson solver and
discusses the software implementation and parallelization. The use of PoisFFT
in an incompressible flow solver is also demonstrated
ELSI: A Unified Software Interface for Kohn-Sham Electronic Structure Solvers
Solving the electronic structure from a generalized or standard eigenproblem
is often the bottleneck in large scale calculations based on Kohn-Sham
density-functional theory. This problem must be addressed by essentially all
current electronic structure codes, based on similar matrix expressions, and by
high-performance computation. We here present a unified software interface,
ELSI, to access different strategies that address the Kohn-Sham eigenvalue
problem. Currently supported algorithms include the dense generalized
eigensolver library ELPA, the orbital minimization method implemented in
libOMM, and the pole expansion and selected inversion (PEXSI) approach with
lower computational complexity for semilocal density functionals. The ELSI
interface aims to simplify the implementation and optimal use of the different
strategies, by offering (a) a unified software framework designed for the
electronic structure solvers in Kohn-Sham density-functional theory; (b)
reasonable default parameters for a chosen solver; (c) automatic conversion
between input and internal working matrix formats, and in the future (d)
recommendation of the optimal solver depending on the specific problem.
Comparative benchmarks are shown for system sizes up to 11,520 atoms (172,800
basis functions) on distributed memory supercomputing architectures.Comment: 55 pages, 14 figures, 2 table
- …