Machine utilization of the CSCS Alps system during our AiiDA “hero run”. (IMAGE)
Caption
After a ramp-up phase of 2.5 hours (with the machine still shared with other users), AiiDA workflows filled all available nodes, with a sustained 99.96% machine utilization for over 18 hours. In total 14,945,009 SCF iterations were executed performing 944,428 ionic steps, executed as part of 99,225 DFT code runs (using SIRIUS-enabled Quantum ESPRESSO), resulting in the crystal-structure relaxation of 19,829 compounds.
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NCCR MARVEL
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