Large scale and hybrid computing with CP2K - Prace Training Portal
Large scale and hybrid computing with CP2K - Prace Training Portal
Large scale and hybrid computing with CP2K - Prace Training Portal
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DBCSR: a sparse matrix libraryDistributed Blocked Compressed Sparse RowDistributed Blocked Cannon Sparse RecursiveTarget the application: atoms → Blocks (e.g. 5x5, 13x13, 23x23)Linear scaling → SparseFully dense → Cannon<strong>Large</strong> <strong>scale</strong> → DistributedHigh Performance → RecursiveCannon style communicationon a homogenized matrix forstrong scaling
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