000 02819nam a22005535i 4500
001 978-3-319-17148-7
003 DE-He213
005 20200421112226.0
007 cr nn 008mamaa
008 150330s2015 gw | s |||| 0|eng d
020 _a9783319171487
_9978-3-319-17148-7
024 7 _a10.1007/978-3-319-17148-7
_2doi
050 4 _aQA76.9.E94
072 7 _aUYD
_2bicssc
072 7 _aCOM074000
_2bisacsh
082 0 4 _a004.24
_223
100 1 _aHeinecke, Alexander.
_eauthor.
245 1 0 _aSupercomputing for Molecular Dynamics Simulations
_h[electronic resource] :
_bHandling Multi-Trillion Particles in Nanofluidics /
_cby Alexander Heinecke, Wolfgang Eckhardt, Martin Horsch, Hans-Joachim Bungartz.
264 1 _aCham :
_bSpringer International Publishing :
_bImprint: Springer,
_c2015.
300 _aX, 76 p. 35 illus., 13 illus. in color.
_bonline resource.
336 _atext
_btxt
_2rdacontent
337 _acomputer
_bc
_2rdamedia
338 _aonline resource
_bcr
_2rdacarrier
347 _atext file
_bPDF
_2rda
490 1 _aSpringerBriefs in Computer Science,
_x2191-5768
505 0 _aIntroduction -- Molecular Dynamics Simulation -- Parallelization of MD Algorithms and Load Balancing -- Efficient Implementation of the Force Calculation in MD Simulations -- Experiments -- Conclusion.
520 _aThis work presents modern implementations of relevant molecular dynamics algorithms using ls1 mardyn, a simulation program for engineering applications. The text focuses strictly on HPC-related aspects, covering implementation on HPC architectures, taking Intel Xeon and Intel Xeon Phi clusters as representatives of current platforms. The work describes distributed and shared-memory parallelization on these platforms, including load balancing, with a particular focus on the efficient implementation of the compute kernels. The text also discusses the software-architecture of the resulting code.
650 0 _aComputer science.
650 0 _aSpecial purpose computers.
650 0 _aComputer system failures.
650 0 _aComputer simulation.
650 0 _aFluid mechanics.
650 1 4 _aComputer Science.
650 2 4 _aSystem Performance and Evaluation.
650 2 4 _aSimulation and Modeling.
650 2 4 _aEngineering Fluid Dynamics.
650 2 4 _aSpecial Purpose and Application-Based Systems.
700 1 _aEckhardt, Wolfgang.
_eauthor.
700 1 _aHorsch, Martin.
_eauthor.
700 1 _aBungartz, Hans-Joachim.
_eauthor.
710 2 _aSpringerLink (Online service)
773 0 _tSpringer eBooks
776 0 8 _iPrinted edition:
_z9783319171470
830 0 _aSpringerBriefs in Computer Science,
_x2191-5768
856 4 0 _uhttp://dx.doi.org/10.1007/978-3-319-17148-7
912 _aZDB-2-SCS
942 _cEBK
999 _c57685
_d57685