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@INPROCEEDINGS{Morgenstern:872623,
      author       = {Morgenstern, Laura and Haensel, David and Beckmann, Andreas
                      and Kabadshow, Ivo},
      title        = {{NUMA}-{A}wareness as a {P}lug-{I}n},
      reportid     = {FZJ-2020-00115},
      year         = {2019},
      abstract     = {Molecular dynamics (MD) has become a vital research method
                      in biochemistry and materials science. GROMACS aims do
                      develop a flexible and unified tool-box in the field of MD
                      simulations. In MD, the fast multipole method (FMM) is used
                      to compute all pairwise long-range interactions between N
                      particles in time O(N). To tackle exascale, MD applications
                      – as well as several other HPCapplications – have to
                      target strong scaling. To meet the according requirements
                      such as synchronization- and latency-awareness, software
                      needs to adopt to specific hardware properties such
                      ascaching and non-uniform memory access (NUMA). This poster
                      shows how we added NUMA-awareness to our C++ tasking
                      framework for fine-grained parallelism with an FMM as use
                      case. However, the poster has an emphasis on separation of
                      concerns through software architecture since the
                      representation of NUMA in software is not only relevant for
                      the FMM but should be reusable by similar applications.},
      month         = {Jun},
      date          = {2019-06-04},
      organization  = {Erste Konferenz für
                       ForschungssoftwareentwicklerInnen in
                       Deutschland, Potsdam (Germany), 4 Jun
                       2019 - 6 Jun 2019},
      subtyp        = {After Call},
      cin          = {JSC},
      cid          = {I:(DE-Juel1)JSC-20090406},
      pnm          = {511 - Computational Science and Mathematical Methods
                      (POF3-511) / PhD no Grant - Doktorand ohne besondere
                      Förderung (PHD-NO-GRANT-20170405)},
      pid          = {G:(DE-HGF)POF3-511 / G:(DE-Juel1)PHD-NO-GRANT-20170405},
      typ          = {PUB:(DE-HGF)24},
      url          = {https://juser.fz-juelich.de/record/872623},
}