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14 lines
887 B
Plaintext
14 lines
887 B
Plaintext
libDBCSR (or DBCSR for short) is a sparse matrix library designed to efficiently
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perform sparse matrix matrix multiplication, among other operations. It is MPI
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and OpenMP parallel, and can exploit accelerators. It is developed as part of
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CP2K , where it provides core functionality for linear scaling electronic
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structure theory. A general overview of the library has been published.
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A discussion of recent developments, in particular GPU work, has appeared as a
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chapter in 'Electronic Structure Calculations on Graphics Processing Units',
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John Wiley and Sons, ISBN 9781118661789, and is available as a preprint. The use
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of one-sided MPI and a 2.5D algorithm to reduce communication is shown to be
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effective for sparse matrix matrix multiplication in this manuscript. libDBCSR
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is made available for integration in other projects, see the github webpage.
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WWW: https://www.cp2k.org/dbcsr
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