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dbcsr

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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 [[ http://www.cp2k.org/ | CP2K ]], where it provides core functionality for [[ doi>10.1021/ct200897x | linear scaling electronic structure theory ]]. A general overview of the library [[ doi>10.1016/j.parco.2014.03.012 | has been published ]]. A discussion of recent developments, in particular GPU work, [[ doi>10.1002/9781118670712.ch8 | has appeared as a chapter]] in 'Electronic Structure Calculations on Graphics Processing Units', John Wiley and Sons, ISBN 9781118661789, and is available as a {{ :gpu_book_chapter_submitted.pdf |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 [[https://arxiv.org/abs/1705.10218 | this manuscript ]]. | 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 [[ http://www.cp2k.org/ | CP2K ]], where it provides core functionality for [[ doi>10.1021/ct200897x | linear scaling electronic structure theory ]]. A general overview of the library [[ doi>10.1016/j.parco.2014.03.012 | has been published ]]. A discussion of recent developments, in particular GPU work, [[ doi>10.1002/9781118670712.ch8 | has appeared as a chapter]] in 'Electronic Structure Calculations on Graphics Processing Units', John Wiley and Sons, ISBN 9781118661789, and is available as a {{ :gpu_book_chapter_submitted.pdf |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 [[https://arxiv.org/abs/1705.10218 | this manuscript ]]. | ||

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libDBCSR is made available for integration in other projects, see the [[https://github.com/cp2k/dbcsr|github webpage]]. | libDBCSR is made available for integration in other projects, see the [[https://github.com/cp2k/dbcsr|github webpage]]. | ||

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dbcsr.txt ยท Last modified: 2018/07/17 07:48 by alazzaro

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