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When combining different libraries or working with legacy code one is often faced with the problem that different parts of simulation codes have different parallel efficiency and binding requirements. Often optimal usage of the available resources requires switching the parallelization scheme between different parts of the calculation. libquo is a software library that supports developers with such tasks. In this talk we give a short overview over the library libquo, we present the molecular dynamics package ESPResSo, and show in a case study how the performance of ESPResSo could be imprived using libquo. Host: Chris Neale |