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Large scale and hybrid computing with CP2K - Prace Training Portal

Large scale and hybrid computing with CP2K - Prace Training Portal

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In-core integral compressionAlmost all simulations are performed using an in-core algorithm→ 10x speedup is observed.Highly efficient scheme: index free <strong>and</strong> lossy compressionGuidon, M; Schiffmann, F; Hutter, J; V<strong>and</strong>eVondele, J. 2008 ; JCP 128(21): 214104

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