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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. As su...     »
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
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