Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Parallelization and scalability analysis of inverse factorization using
  the Chunks and Tasks programming model   We present three methods for distributed memory parallel inverse
factorization of block-sparse Hermitian positive definite matrices. The three
methods are a recursive variant of the AINV inverse Cholesky algorithm,
iterative refinement, and localized inverse factorization, respectively. All
three methods are implemented using the Chunks and Tasks programming model,
building on the distributed sparse quad-tree matrix representation and parallel
matrix-matrix multiplication in the publicly available Chunks and Tasks Matrix
Library (CHTML). Although the algorithms are generally applicable, this work
was mainly motivated by the need for efficient and scalable inverse
factorization of the basis set overlap matrix in large scale electronic
structure calculations. We perform various computational tests on overlap
matrices for quasi-linear Glutamic Acid-Alanine molecules and three-dimensional
water clusters discretized using the standard Gaussian basis set STO-3G with up
to more than 10 million basis functions. We show that for such matrices the
computational cost increases only linearly with system size for all the three
methods. We show both theoretically and in numerical experiments that the
methods based on iterative refinement and localized inverse factorization
outperform previous parallel implementations in weak scaling tests where the
system size is increased in direct proportion to the number of processes. We
show also that compared to the method based on pure iterative refinement the
localized inverse factorization requires much less communication.

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The categories of this paper are: cond-mat
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The categories of this paper are: q-fin
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The categories of this paper are: nucl-th
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The categories of this paper are: cmp-lg
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The categories of this paper are: physics
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The categories of this paper are: hep-ph
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The categories of this paper are: nlin
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The categories of this paper are: astro-ph
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The categories of this paper are: econ
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The categories of this paper are: math
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The categories of this paper are: adap-org
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The categories of this paper are: gr-qc
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The categories of this paper are: math-ph
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The categories of this paper are: chem-ph
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The categories of this paper are: chao-dyn
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The categories of this paper are: mtrl-th