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@ARTICLE{Begau:280107,
author = {Begau, Christoph and Sutmann, Godehard},
title = {{A}daptive dynamic load-balancing with irregular domain
decomposition for particle simulations},
journal = {Computer physics communications},
volume = {190},
issn = {0010-4655},
address = {Amsterdam},
publisher = {North Holland Publ. Co.},
reportid = {FZJ-2015-07853},
pages = {51 - 61},
year = {2015},
abstract = {We present a flexible and fully adaptive dynamic
load-balancing scheme, which is designed for particle
simulations of three-dimensional systems with short ranged
interactions. The method is based on domain decomposition
with non-orthogonal non-convex domains, which are
constructed based on a local repartitioning of computational
work between neighbouring processors. Domains are
dynamically adjusted in a flexible way under the condition
that the original topology is not changed, i.e. neighbour
relations between domains are retained, which guarantees a
fixed communication pattern for each domain during a
simulation. Extensions of this scheme are discussed and
illustrated with examples, which generalise the
communication patterns and do not fully restrict data
exchange to direct neighbours. The proposed method relies on
a linked cell algorithm, which makes it compatible with
existing implementations in particle codes and does not
modify the underlying algorithm for calculating the forces
between particles. The method has been implemented into the
molecular dynamics community code IMD and performance has
been measured for various molecular dynamics simulations of
systems representing realistic problems from materials
science. It is found that the method proves to balance the
work between processors in simulations with strongly
inhomogeneous and dynamically changing particle
distributions, which results in a significant increase of
the efficiency of the parallel code compared both to
unbalanced simulations and conventional load-balancing
strategies.},
cin = {JSC},
ddc = {004},
cid = {I:(DE-Juel1)JSC-20090406},
pnm = {511 - Computational Science and Mathematical Methods
(POF3-511)},
pid = {G:(DE-HGF)POF3-511},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000351645900005},
doi = {10.1016/j.cpc.2015.01.009},
url = {https://juser.fz-juelich.de/record/280107},
}