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