TweTriS: Twenty trillion-atom simulation

  title={TweTriS: Twenty trillion-atom simulation},
  author={Nikola Tchipev and Steffen Seckler and M. Heinen and J. Vrabec and Fabio Alexander Gratl and M. Horsch and M. Bernreuther and C. Glass and Christoph Niethammer and N. Hammer and Bernd Krischok and Michael M. Resch and D. Kranzlm{\"u}ller and H. Hasse and H. Bungartz and Philipp Neumann},
  journal={The International Journal of High Performance Computing Applications},
  pages={838 - 854}
  • Nikola Tchipev, Steffen Seckler, +13 authors Philipp Neumann
  • Published 2019
  • Computer Science
  • The International Journal of High Performance Computing Applications
  • Significant improvements are presented for the molecular dynamics code ls1 mardyn — a linked cell-based code for simulating a large number of small, rigid molecules with application areas in chemical engineering. The changes consist of a redesign of the SIMD vectorization via wrappers, MPI improvements and a software redesign to allow memory-efficient execution with the production trunk to increase portability and extensibility. Two novel, memory-efficient OpenMP schemes for the linked cell… CONTINUE READING
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