libEnsemble: A complete Python toolkit for dynamic ensembles of calculations
Stephen D. Hudson, Jeffrey M. Larson, John-Luke Navarro, Stefan M. Wild · The Journal of Open Source Software · 2023
Almost all science and engineering applications eventually stop scaling: their runtime no longer decreases as available computational resources increase.Therefore, many applications will struggle to efficiently use emerging extreme-scale high-performance, parallel, and distributed systems.libEnsemble is a complete Python toolkit and workflow system for intelligently driving ensembles of experiments or simulations at massive scales.It enables and encourages multidisciplinary design, decision, and inference studies portably running on laptops, clusters, and supercomputers.