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DTSTAMP:20191206T142456Z
LOCATION:Analog 1\, 2
DTSTART;TZID=Europe/Stockholm:20180627T100000
DTEND;TZID=Europe/Stockholm:20180627T110000
UID:isc_hpc_ISC High Performance 2018_sess148_apost104@linklings.com
SUMMARY:(A09) Poster from Singapore: Picking the Right One - Biosimulation
 s on Various Architectures
DESCRIPTION:HPC in Asia\n\n(A09) Poster from Singapore: Picking the Right 
 One - Biosimulations on Various Architectures\n\nZidar\n\nThe theoretical 
 method of choice for studies of cellular processes is molecular dynamics. 
 In molecular dynamics Newtonian equations of motion are solved with bonds,
  angles and dihedrals described with various force constants. While simple
 , this simple approach forms the basis of our understanding of processes a
 s diverse as lipid raft formation and the molecular mechanism of the recog
 nition between enzyme and its substrate. When constructing such systems gr
 eat care must be taken to make it as realistic as possible, which means ac
 counting for the local environment such as water or cellular membrane, phy
 siological conditions, … this may in turn may make the system large enough
  to warrant running the simulations on supercomputers. While not long the 
 choice was rather simple – number of CPUs, it has in recent years with the
  advent of specialized accelerators such as Nvidia’s CUDA and Intel Phi be
 come much less straightforward. In this work we evaluated the performance 
 of supercomputers based on x86_64, Intel Phi and Sunway architectures for 
 simulations of several large biosystems. Our results show that in order to
  really harness the power of these emerging technologies it is necessary t
 o optimize many of the production codes used today, which is not trivial.\
 n\nPasses: Conference Pass, Computer Architecture, HPC Accelerators, Paral
 lel Applications, Performance Analysis and Optimization, System Software &
  Runtime Systems\n\nTag: Conference Pass, Computer Architecture, HPC Accel
 erators, Parallel Applications, Performance Analysis and Optimization, Sys
 tem Software & Runtime Systems
URL:https://2018.isc-program.com/presentation/?id=apost104&sess=sess148
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