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@ARTICLE{Memon:863863,
      author       = {Memon, Shahbaz and Vallot, Dorothée and Zwinger, Thomas
                      and Neukirchen, Helmut and Riedel, Morris and Book,
                      Matthias},
      collaboration = {Åström, Jan},
      title        = {{S}cientific workflows applied to the coupling of a
                      continuum ({E}lmer v8.3) and a discrete element ({H}i{DEM}
                      v1.0) ice dynamic model},
      journal      = {Geoscientific model development},
      volume       = {12},
      number       = {7},
      issn         = {1991-9603},
      address      = {Katlenburg-Lindau},
      publisher    = {Copernicus},
      reportid     = {FZJ-2019-03834},
      pages        = {3001 - 3015},
      year         = {2019},
      abstract     = {Scientific computing applications involving complex
                      simulations and data-intensive processing are often composed
                      of multiple tasks forming a workflow of computing jobs.
                      Scientific communities running such applications on
                      computing resources often find it cumbersome to manage and
                      monitor the execution of these tasks and their associated
                      data. These workflow implementations usually add overhead by
                      introducing unnecessary input/output (I/O) for coupling the
                      models and can lead to sub-optimal CPU utilization.
                      Furthermore, running these workflow implementations in
                      different environments requires significant adaptation
                      efforts, which can hinder the reproducibility of the
                      underlying science. High-level scientific workflow
                      management systems (WMS) can be used to automate and
                      simplify complex task structures by providing tooling for
                      the composition and execution of workflows – even across
                      distributed and heterogeneous computing environments. The
                      WMS approach allows users to focus on the underlying
                      high-level workflow and avoid low-level pitfalls that would
                      lead to non-optimal resource usage while still allowing the
                      workflow to remain portable between different computing
                      environments. As a case study, we apply the UNICORE workflow
                      management system to enable the coupling of a glacier flow
                      model and calving model which contain many tasks and
                      dependencies, ranging from pre-processing and data
                      management to repetitive executions in heterogeneous
                      high-performance computing (HPC) resource environments.
                      Using the UNICORE workflow management system, the
                      composition, management, and execution of the glacier
                      modelling workflow becomes easier with respect to usage,
                      monitoring, maintenance, reusability, portability, and
                      reproducibility in different environments and by different
                      user groups. Last but not least, the workflow helps to speed
                      the runs up by reducing model coupling I/O overhead and it
                      optimizes CPU utilization by avoiding idle CPU cores and
                      running the models in a distributed way on the HPC cluster
                      that best fits the characteristics of each model.},
      cin          = {JSC},
      ddc          = {550},
      cid          = {I:(DE-Juel1)JSC-20090406},
      pnm          = {512 - Data-Intensive Science and Federated Computing
                      (POF3-512) / PhD no Grant - Doktorand ohne besondere
                      Förderung (PHD-NO-GRANT-20170405)},
      pid          = {G:(DE-HGF)POF3-512 / G:(DE-Juel1)PHD-NO-GRANT-20170405},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000475466700004},
      doi          = {10.5194/gmd-12-3001-2019},
      url          = {https://juser.fz-juelich.de/record/863863},
}