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Document type:
Studienarbeit 
Author(s):
Gratl, Fabio Alexander 
Title:
Implementation and Evaluation of Task-based Approaches for Molecular Dynamics Simulations 
Translated title:
Entwicklung und Evaluation Task-basierter Ansätze für Molekulardynamik Simulationen 
Abstract:
ls1-mardyn is a molecular dynamics code specialized in simulations of very large scale of up to 4.125 × 10 12 particles [EHB + 13]. Although the established approach for its force calculation, which is using coloring and OpenMP loop parallelization, proves to be very efficient, it still leaves potential for optimization because of its use of barriers. A promising method to replace these barriers are task-based scheduling concepts due to their higher flexibility and finer granularity....    »
 
Keywords:
Molecular Dynamics; Task based 
Supervisor:
Bungartz, Hans-Joachim 
Advisor:
Tchipev, Nikola 
Year:
2017 
Quarter:
2. Quartal 
Year / month:
2017-04 
Month:
Apr 
Language:
en 
University:
Technical University of Munich 
Faculty:
Fakultät für Informatik