========== Benchmarks ========== --------------- Parallelization --------------- Very complex and expensive computations are parallelized in AMEP to also run efficiently on high-performance computing hardware. The following table gives an overview on all observables that can be calculated in parallel with AMEP. +---------------------------------------+---------------------------------+ | Observable: | AMEP evaluate object: | +=======================================+=================================+ | Hexagonal order correlation function | ``amep.evaluate.HexOrderCor`` | +---------------------------------------+---------------------------------+ | 2d pair correlation function | ``amep.evaluate.PCF2d`` | +---------------------------------------+---------------------------------+ | Angular pair correlation function | ``amep.evaluate.PFCangle`` | +---------------------------------------+---------------------------------+ | Radial pair distribution function | ``amep.evaluate.RDF`` | +---------------------------------------+---------------------------------+ | 2d static structure factor | ``amep.evaluate.SF2d`` | +---------------------------------------+---------------------------------+ | Isotropic static structure factor | ``amep.evaluate.SFiso`` | +---------------------------------------+---------------------------------+ | Spatial velocity correlation function | ``amep.evaluate.SpatialVelCor`` | +---------------------------------------+---------------------------------+ The scaling shown in the image below was run with two Intel® Xeon® Platinum 9242 Processors (96 cores in total) on the Lichtenberg high-performance computer at Technical University of Darmstadt. It is based on the total runtime for evaluating a Brownian dynamics simulation of 100,000 active Brownian particles done with LAMMPS. .. image:: ../_static/images/amep_scaling.png :width: 400 :alt: Scaling behavior of parallel methods in AMEP on the Lichtenberg high-performance computer at Technical University of Darmstadt. :align: center