3,801 research outputs found
Taking advantage of hybrid systems for sparse direct solvers via task-based runtimes
The ongoing hardware evolution exhibits an escalation in the number, as well
as in the heterogeneity, of computing resources. The pressure to maintain
reasonable levels of performance and portability forces application developers
to leave the traditional programming paradigms and explore alternative
solutions. PaStiX is a parallel sparse direct solver, based on a dynamic
scheduler for modern hierarchical manycore architectures. In this paper, we
study the benefits and limits of replacing the highly specialized internal
scheduler of the PaStiX solver with two generic runtime systems: PaRSEC and
StarPU. The tasks graph of the factorization step is made available to the two
runtimes, providing them the opportunity to process and optimize its traversal
in order to maximize the algorithm efficiency for the targeted hardware
platform. A comparative study of the performance of the PaStiX solver on top of
its native internal scheduler, PaRSEC, and StarPU frameworks, on different
execution environments, is performed. The analysis highlights that these
generic task-based runtimes achieve comparable results to the
application-optimized embedded scheduler on homogeneous platforms. Furthermore,
they are able to significantly speed up the solver on heterogeneous
environments by taking advantage of the accelerators while hiding the
complexity of their efficient manipulation from the programmer.Comment: Heterogeneity in Computing Workshop (2014
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
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