Hauptseite > Publikationsdatenbank > A C++ based MPI-enabled Tasking Framework to Efficiently Parallelize Fast Multipole Methods for Molecular Dynamics > print

001     857997
005     20220930130202.0
024 7 _ |a urn:nbn:de:bsz:14-qucosa2-314122
|2 URN
024 7 _ |a urn:nbn:de:bsz:14-qucosa2-314122
|2 URN
024 7 _ |a 2128/20273
|2 Handle
037 _ _ |a FZJ-2018-06944
041 _ _ |a English
100 1 _ |a Haensel, David
|0 P:(DE-Juel1)161429
|b 0
|e Corresponding author
|u fzj
245 _ _ |a A C++ based MPI-enabled Tasking Framework to Efficiently Parallelize Fast Multipole Methods for Molecular Dynamics
|f 2014-12-01 - 2018-02-28
260 _ _ |c 2018
300 _ _ |a xiii, 121
336 7 _ |a Output Types/Dissertation
|2 DataCite
336 7 _ |a DISSERTATION
|2 ORCID
336 7 _ |a PHDTHESIS
|2 BibTeX
336 7 _ |a Thesis
|0 2
|2 EndNote
336 7 _ |a Dissertation / PhD Thesis
|b phd
|m phd
|0 PUB:(DE-HGF)11
|s 1543839567_8687
|2 PUB:(DE-HGF)
336 7 _ |a doctoralThesis
|2 DRIVER
502 _ _ |a Dissertation, TU Dresden, 2018
|c TU Dresden
|b Dissertation
|d 2018
|o 2018-07-02
520 _ _ |a Today’s supercomputers gain their performance through a rapidly increasingnumber of cores per node. To tackle issues arising from those developmentsnew parallelization approaches guided by modern software engineering are in-evitable. The concept of task-based parallelization is a promising candidate toovercome many of those challenges. However, for latency-critical applications,like molecular dynamics, available tasking frameworks introduce considerableoverheads. In this work a lightweight task engine for latency-critical applica-tions is proposed. The main contributions of this thesis are a static data-flowdispatcher, a type-driven priority scheduler and an extension for communication-enabled tasks. The dispatcher allows a user-configurable mapping of algorithmicdependencies in the task-engine at compile-time. Resolving these dependenciesat compile-time reduces the run-time overhead. The scheduler enables the pri-oritized execution of a critical path of an algorithm. Additionally, the prioritiesare deduced from the task type at compile-time as well. Furthermore, the afore-mentioned task engine supports inter-node communication via message passing.The provided communication interface drastically simplifies the user interface ofinter-node communication without introducing additional performance penalties.Thisisonlypossiblebydistinguishingtwodeveloperroles–thelibrarydeveloperand the algorithm developer. All proposed components follow a strict guideline toincrease the maintainability for library developers and the usability for algorithmdevelopers. To reach this goal a high level of abstraction and encapsulation isrequired in the software stack. As proof of concept the communication-enabledtask engine is utilized to parallelize the FMM for molecular dynamics.
536 _ _ |a 511 - Computational Science and Mathematical Methods (POF3-511)
|0 G:(DE-HGF)POF3-511
|c POF3-511
|f POF III
|x 0
536 _ _ |0 G:(DE-Juel1)PHD-NO-GRANT-20170405
|x 1
|c PHD-NO-GRANT-20170405
|a PhD no Grant - Doktorand ohne besondere Förderung (PHD-NO-GRANT-20170405)
856 4 _ |y OpenAccess
|u https://juser.fz-juelich.de/record/857997/files/Thesis_David_Haensel.pdf
856 4 _ |y OpenAccess
|x pdfa
|u https://juser.fz-juelich.de/record/857997/files/Thesis_David_Haensel.pdf?subformat=pdfa
909 C O |o oai:juser.fz-juelich.de:857997
|p openaire
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910 1 _ |a Forschungszentrum Jülich
|0 I:(DE-588b)5008462-8
|k FZJ
|b 0
|6 P:(DE-Juel1)161429
913 1 _ |a DE-HGF
|b Key Technologies
|1 G:(DE-HGF)POF3-510
|0 G:(DE-HGF)POF3-511
|2 G:(DE-HGF)POF3-500
|v Computational Science and Mathematical Methods
|x 0
|4 G:(DE-HGF)POF
|3 G:(DE-HGF)POF3
|l Supercomputing & Big Data
914 1 _ |y 2018
915 _ _ |a OpenAccess
|0 StatID:(DE-HGF)0510
|2 StatID
920 _ _ |l yes
920 1 _ |0 I:(DE-Juel1)JSC-20090406
|k JSC
|l Jülich Supercomputing Center
|x 0
980 _ _ |a phd
980 _ _ |a VDB
980 _ _ |a UNRESTRICTED
980 _ _ |a I:(DE-Juel1)JSC-20090406
980 1 _ |a FullTexts

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