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DTSTAMP:20210916T132449Z
LOCATION:Mère Royaume
DTSTART;TZID=Europe/Stockholm:20210706T123000
DTEND;TZID=Europe/Stockholm:20210706T130000
UID:submissions.pasc-conference.org_PASC21_sess147_msa141@linklings.com
SUMMARY:Solver-Agnostic Coupling for Multiscale and Multiphysics Simulatio
 ns
DESCRIPTION:Minisymposium\n\nSolver-Agnostic Coupling for Multiscale and M
 ultiphysics Simulations\n\nKičić, Pezzè, Salza, Koumoutsakos\n\n
 Multiscale and multiphysics coupling methodologies offer great promise for
  extending the size and complexity of natural systems tractable to compute
 r simulations. However, the coupling of diverse software solvers in a reus
 able fashion, in particular in an HPC framework, is an open problem. To th
 e best of our knowledge, available technologies for developing coupling sc
 heme implementations (CSIs) for such simulations are either problem-specif
 ic or result in CSIs that are not transferable to different solvers. In th
 is work, we analyze the general structure of a large class of coupled simu
 lations and show the main barriers to solver transferability of CSIs. We p
 ropose a novel software engineering approach that resolves these barriers 
 and enables the development of solver-agnostic CSIs, simultaneously compat
 ible with both CPU and GPU-based distributed HPC solvers. We present Chyme
 s, a C++ library that facilitates the development of CSIs and other solver
  extensions. We demonstrate our approach on an atomistic-continuum CSI com
 patible with multiple molecular dynamics and multiple computational fluid 
 dynamics solvers.\n\nDomain: CS and Math, Chemistry and Materials, Physics
 , Engineering
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