| Autor: |
Jadran Vrabec, Matthias Heinen, Hans-Joachim Bungartz, Steffen Seckler, Nikola Tchipev, Philipp Neumann, Fabio Alexander Gratl |
| Rok vydání: |
2021 |
| Předmět: |
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| Zdroj: |
High Performance Computing in Science and Engineering '19 ISBN: 9783030667917 |
| DOI: |
10.1007/978-3-030-66792-4_35 |
| Popis: |
ls1 mardyn is a molecular dynamics (MD) simulation framework that enables investigations of multicomponent and multiphase processes relevant to engineering applications, such as droplet coalescence or bubble formation. These scenarios 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 introduced plugin framework, from the latter we will look at some recent load balancing improvements to ls1 mardyn. We further present preliminary results of the integration of AutoPas, a C++ node-level library employing auto-tuning to achieve optimal node-level performance for particle simulations, into ls1 mardyn. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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