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UID:submissions.pasc-conference.org_PASC23_sess178@linklings.com
SUMMARY:AP1D - ACM Papers Session 1D
DESCRIPTION:Paper\n\nLessons Learned from a Performance Analysis and Optim
 ization of a Multiscale Cellular Simulation\n\nThis work presents a compre
 hensive performance analysis and multiscale agent-based cellular simulatio
 n optimization. The optimizations applied are guided by detailed performan
 ce analysis and include memory management, load balance, and a locality-aw
 are parallelization. The outcome of this paper is n...\n\n\nMarc Clascą, M
 arta Garcia-Gasulla, Arnau Montagud, and Jose Carbonell Caballero (Barcelo
 na Supercomputing Center) and Alfonso Valencia (Barcelona Supercomputing C
 enter, ICREA)\n---------------------\nRuntime Steering of Molecular Dynami
 cs Simulations Through In Situ Analysis and Annotation of Collective Varia
 bles\n\nThis paper targets one of the most common simulations on petascale
  and, very likely, on exascale machines: molecular dynamics (MD) simulatio
 ns studying the (classical) time evolution of a molecular system at atomic
  resolution. Specifically, this work addresses the data challenges of MD s
 imulations a...\n\n\nSilvina Caino-Lores (University of Tennessee); Michel
  Cuendet (Swiss Institute of Bioinformatics, Cornell University); Jack Mar
 quez (University of Tennessee); Ekaterina Kots (Cornell University); Trilc
 e Estrada (University of New Mexico); Ewa Deelman (University of Southern 
 California); Harel Weinstein (Cornell University); and Michela Taufer (Uni
 versity of Tennessee)\n\nDomain: Life Sciences\n\nSession Chair: John Bidd
 iscombe (ETH Zurich / CSCS)
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