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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Parallel efficiencyCO 2crystal (32 molecules)cc-QZVP basis (5184 BF)Canonical GPW-MP2 calculationMP2 time: 9min.parallel efficiency: 80%On 102400 cores