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DTSTAMP:20191206T142455Z
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DTSTART;TZID=Europe/Stockholm:20180626T151500
DTEND;TZID=Europe/Stockholm:20180626T154500
UID:isc_hpc_ISC High Performance 2018_sess144_proj124@linklings.com
SUMMARY:(PP19) Towards Supporting Heterogeneous Hardware in GROMACS
DESCRIPTION:Project Poster\n\n(PP19) Towards Supporting Heterogeneous Hard
 ware in GROMACS\n\nMorgenstern, Beckmann, Kabadshow\n\nMolecular dynamics 
 (MD) has become a vital research method in biochemistry and materials scie
 nce. As part of the Priority Programme "Software for Exascale Computing“ (
 SPPEXA), GROMEX aims do develop a flexible and unified tool-box in the fie
 ld of MD simulations on the exascale. In MD, the fast multipole method is 
 used to reduce the complexity of the computation of pairwise\nlong-range i
 nteractions. Since the problem size is typically fixed by the physical siz
 e of molecules, MD applications target strong scaling. Thus, the computati
 onal effort\nper compute node is very low and MD applications tend to be l
 atency- and synchronization-critical. To meet the requirements of latency-
 critical applications, we need to\nconsider hardware properties such as no
 n-uniform memory access (NUMA).\n\nPasses: Conference Pass, Exhibition Pas
 s, Extreme-Scale Computing, Parallel Algorithms, Scientific Software Devel
 opment\n\nTag: Conference Pass, Exhibition Pass, Extreme-Scale Computing, 
 Parallel Algorithms, Scientific Software Development
URL:https://2018.isc-program.com/presentation/?id=proj124&sess=sess144
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