Theoretical and Computational Chemistry

Malleable parallelism with minimal effort for maximal throughput and maximal hardware load.

Bernd Hartke Christian-Albrechts-University Kiel


A new parallel high-performance computing setup, which can use every little bit of computing resources left over by traditional scheduling, regardless how small or big it may be. This enables HPC providers to achieve 100 percent load on their machines at all times, and it enables HPC users to get substantial computing time on HPC systems that are "full" with traditional jobs.


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Supplementary material

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