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Document type:
Report / Forschungsbericht 
Author(s):
Steffen Seckler; Fabio Gratl; Nikola Tchipev; Matthias Heinen; Jadran Vrabec; Hans-Joachim Bungartz; Philipp Neumann 
Title:
Load Balancing and Auto-Tuning for Heterogeneous Particle Systems using ls1 mardyn 
Abstract:
ls1 mardyn is a molecular dynamics (MD) simulation framework that en- ables investigations of multicomponent and multiphase processes relevant to engi- neering applications, such as droplet coalescence or bubble formation. These sce- narios require the simulation of ensembles containing a large number of molecules. We present recent advances in ls1 mardyn both from the software design and high- performance computing perspective. From the former we describe the recently intro- duced p...    »
 
Keywords:
AutoPas, ls1 mardyn, OpenMP, Molecular Dynamics, N-Body Simulations 
Project title:
HLRS Project GCS-MDDC 
Contracting organization:
High-Performance Computing Center Stuttgart (HLRS) 
Year:
2019 
Quarter:
2. Quartal 
Year / month:
2019-06 
Monat:
Jun 
Language:
en 
TUM Institution:
Department of Informatics