Publications on Fast Multipole Method
Award
Best Poster Award (First Prize) at the PASC19 conference
Schweiz : The Platform for Advanced Scientific Computing
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Award
Best Poster Award on the Konferenz für ForschungssoftwareentwicklerInnen in Deutschland (deRSE 2019)
Germany : Gesellschaft für Informatik e.V.
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Conference Presentation (After Call)
Testing. Testing? Testing! How RSEs can Assure Software Quality in Complex HPC Code Bases.
Platform for Advanced Scientific Computing Conference, PASC 23, DavosDavos, Switzerland, 26 Jun 2023 - 28 Jun 2023
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Conference Presentation (After Call)
CI in HPC: Working hard or hardly working?
15th JLESC Workshop, BordeauxBordeaux, France, 21 Mar 2023 - 23 Mar 2023
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Contribution to a conference proceedings/Contribution to a book
Optimizing Communication in Molecular Dynamics Simulations on HPC Clusters
SIMULTECH 2022: Simulation and Modeling Methodologies, Technologies and Applications, LisbonLisbon, Portugal, 14 Jul 2022 - 16 Jul 2022
Cham : Springer International Publishing, Lecture Notes in Networks and Systems 780, 86 - 100 (2023) [10.1007/978-3-031-43824-0_5]
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Contribution to a conference proceedings/Contribution to a book
Analytical Model of Communication Algorithm for Simulations with Range-Limited Interactions
Proceedings of the 13th International Conference on Simulation and Modeling Methodologies, Technologies and Applications - SCITEPRESS - Science and Technology Publications, 2023. - ISBN 978-989-758-668-2 - doi:10.5220/0012085500003546
Simultech 2023, RomeRome, Italy, 12 Jul 2023 - 14 Jul 2023
SCITEPRESS - Science and Technology Publications 311-317 (2023) [10.5220/0012085500003546]
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Journal Article/Contribution to a conference proceedings
A Petri-Net-Based Approach to Modeling Communication Algorithms for HPC Molecular Dynamics Simulations
PNSE@Petri Nets 2023, LisbonLisbon, Portugal, 27 Jun 2023 - 27 Jun 2023
CEUR workshop proceedings 3430, (2023) [10.34734/FZJ-2023-05524]
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Conference Presentation (After Call)
Continuous Integration for HPC
15th JLESC Workshop, BordeauxBordeaux, France, 21 Mar 2023 - 23 Mar 2023
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Poster (After Call)
Automation of malleable CI-Infrastructure using Ansible
14th JLESC Workshop, UrbanaUrbana, USA, 28 Sep 2022 - 30 Sep 2022
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Contribution to a conference proceedings
Systematic Literature Review of Data Exchange Strategies for Range-limited Particle Interactions
12th International Conference on Simulation and Modeling Methodologies, Technologies and Applications, LisbonLisbon, Portugal, 14 Jul 2022 - 16 Jul 2022
SCITEPRESS - Science and Technology Publications 218-225 (2022) [10.5220/0011144400003274]
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Conference Presentation (After Call)
Continuous struggle: precise, performant and portable code development in HPC
NFDI4Ing Konferenz, OnlineOnline, Germany, 27 Sep 2021 - 28 Sep 2021
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Conference Presentation (After Call)
Attracting talent to the middle of nowhere: internship programs for international master students
TEACH - Talk about Education Across Communities in Helmholtz, OnlineOnline, Germany, 7 Dec 2021 - 10 Dec 2021
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Conference Presentation (Panel discussion)
RSE Participation in HPC
Supercomputing 2021 - Workshop "Research Software Engineers in HPC: Creating Community, Building Careers, Addressing Challenges", OnlineOnline, USA, 14 Nov 2021 - 19 Nov 2021
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Conference Presentation (After Call)
An Error-Controlled Fast Multipole Method and the Road to Exascale
CECAM Flagship Workshop: Advances in Electrostatic calculations: the road towards the Exascale, OnlineOnline, Germany, 29 Jul 2021 - 29 Sep 2021
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Conference Presentation (After Call)
Task Queues to the Rescue! How Queues Affect the Performance of Eventify on GPUs
12th Joint Laboratory for Extreme Scale Computing Workshop, JLESC, OnlineOnline, USA, 24 Feb 2021 - 26 Feb 2021
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Conference Presentation (After Call)
Effective and Efficient Parallelization: Are we there yet?
12th Joint Laboratory for Extreme Scale Computing Workshop, JLESC, OnlineOnline, USA, 24 Feb 2021 - 26 Feb 2021
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Conference Presentation (After Call)
Unparalleled Parallelism? CPU & GPU Architecture Trends and Their Implications for HPC Software.
FG-BS Frühjahrstreffen 2021, VirtualVirtual, Germany, 11 Mar 2021 - 12 Mar 2021
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Journal Article
A CUDA fast multipole method with highly efficient M2L far field evaluation
The international journal of high performance computing applications 35(1), 97 - 117 (2021) [10.1177/1094342020964857]
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Contribution to a book
GROMEX: A Scalable and Versatile Fast Multipole Method for Biomolecular Simulation
Software for Exascale Computing - SPPEXA 2016-2019
Cham : Springer International Publishing, Lecture Notes in Computational Science and Engineering 517-543 (2020)
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Contribution to a conference proceedings/Contribution to a book
Eventify: Event-Based Task Parallelism for Strong Scaling
Proceedings of the Platform for Advanced Scientific Computing Conference - ACM New York, NY, USA, 2020. - ISBN 9781450379939 - doi:10.1145/3394277.3401858
PASC '20: Platform for Advanced Scientific Computing Conference, GenevaGeneva, Switzerland, 29 Jun 2020 - 1 Jul 2020
ACM New York, NY, USA 1-10 (2020) [10.1145/3394277.3401858]
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Contribution to a conference proceedings/Contribution to a book
NUMA-Awareness as a Plug-In for an Eventify-Based Fast Multipole Method
Computational Science – ICCS 2020
International Conference on Computational Science 2020, ICCS 2020, AmsterdamAmsterdam, The Netherlands, 3 Jun 2020 - 5 Jun 2020
428-441 (2020) [10.1007/978-3-030-50436-6_31]
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Poster (After Call)
NUMA-Awareness as a Plug-In
Erste Konferenz für ForschungssoftwareentwicklerInnen in Deutschland, deRSE19, PotsdamPotsdam, Germany, 4 Jun 2019 - 6 Jun 2019
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Poster (After Call)
Tasking Meets GPUs:Fighting Deadlocks and Other Monsters
Platform for Advanced Scientific Computing, PASC19, ZurichZurich, Switzerland, 12 Jun 2019 - 14 Jun 2019
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Contribution to a conference proceedings/Contribution to a book
Accelerating an FMM-Based Coulomb Solver with GPUs
Software for Exascale Computing - SPPEXA 2013-2015 / Bungartz, Hans-Joachim (Editor) ; Cham : Springer International Publishing, 2016, Chapter 22 ; ISSN: 1439-7358=2197-7100 ; ISBN: 978-3-319-40526-1=978-3-319-40528-5
SPPEXA Symposium 2016, MünchenMünchen, Germany, 25 Jan 2016 - 27 Jan 2016
Cham : Springer International Publishing, Lecture Notes in Computational Science and Engineering 113, 485 - 504 (2016) [10.1007/978-3-319-40528-5_22]
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Contribution to a conference proceedings
Portable Node-Level Performance Optimization for the Fast Multipole Method
Recent Trends in Computational Engineering - CE2014
3rd International Workshop on Computational Engineering, CE 2014, StuttgartStuttgart, Germany, 6 Oct 2014 - 10 Oct 2014
Cham : Springer International Publishing, Lecture Notes in Computational Science and Engineering 105, 29 - 46 (2015) [10.1007/978-3-319-22997-3_2]
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Journal Article
JSC Guest Student Programme 2015 – GSP rocks JUQUEEN
Innovatives Supercomputing in Deutschland 13(2), 82 (2015)
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JSC Guest Student Programme 2014 – Experience Scientific Computing
Innovatives Supercomputing in Deutschland 12(2), 86-87 (2014)
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Journal Article
Comparison of scalable fast methods for long-range interactions
Physical review / E 88(6), 063308 (2013) [10.1103/PhysRevE.88.063308]
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JSC Guest Student Programme on Scientific Computing 2013
Innovatives Supercomputing in Deutschland 11(2), 104-105 (2013)
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Journal Article
GROMEX – Unified Long-range Electrostatics and Flexible Ionization
Innovatives Supercomputing in Deutschland 11(2), 72-75 (2013)
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Contribution to a conference proceedings/Contribution to a book
Automatic Tuning of the Fast Multipole Method Based on Integrated Performance Prediction
2012 IEEE 14th International Conference on High Performance Computing and Communication & 2012 IEEE 9th International Conference on Embedded Software and Systems
2012 IEEE 14th Int'l Conf. on High Performance Computing and Communication (HPCC) & 2012 IEEE 9th Int'l Conf. on Embedded Software and Systems (ICESS), LiverpoolLiverpool, United Kingdom, 25 Jun 2012 - 27 Jun 2012
IEEE 617-624 (2012) [10.1109/HPCC.2012.88]
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Contribution to a conference proceedings
OSPRI: An Optimized One-Sided Communication Runtime for Leadership-Class Machines
The 6th Conference on Partitioned Global Address Space Programming Models, PGAS 12, Santa Barbara, CaliforniaSanta Barbara, California, USA, 10 Oct 2012 - 12 Oct 2012
10 p. (2012)
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Conference Presentation (Other)
A Highly Scalable FMM for Particle Simulations
SIAM Conference on Parallel Processing for Scientific Computing, SIAM PP12, Savannah, GeorgiaSavannah, Georgia, USA, 15 Feb 2012 - 17 Feb 2012
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Conference Presentation
The Single-Parameter Fast Multipole Method - A Coulomb solver for the masses
1st CHANGES Workshop
Seminar, JülichJülich, 3 Sep 2012
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Dissertation / PhD Thesis/Book
Periodic Boundary Conditions and the Error-Controlled Fast Multipole Method
Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Schriften des Forschungszentrums Jülich. IAS Series 11, V, 126 S. (2012) = Universität Wuppertal, Diss., 2012
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Contribution to a conference proceedings/Contribution to a book
The Error-Controlled Fast Multipole Method for Open and Periodic Boundary Conditions
Fast Methods for Long-Range Interactions in Complex Systems, ed.; / G. Sutmann, P. Gibbon, T. Lippert, Summer School, 6-10 September 2010, Jülich, Schriften des Forschungszentrums Jülich. - IAS Series, Volume 6, 2011. - 978-3-89336-714-6. - S. 85 - 114
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Journal Article
Corrected article: An error-controlled fast multipole method
The journal of chemical physics 132, 119901 (2010) [10.1063/1.3358272]
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An error-controlled fast multipole method
The journal of chemical physics 131, 244102 (2009) [10.1063/1.3264952]
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Conference Presentation
The Fast Multipole Method and Periodic Boundary Conditions in 1D, 2D and 3D
SIAM Conference on Computational Science and Engineering (CSE09)
Seminar, Miami, FLMiami, FL, 2 May 2009
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Contribution to a conference proceedings/Contribution to a book
Latency-Optimized Parallelization of the FMM Near-Field Computations
Computation Science - ICCS 2007 : 7th International Conference, Beijing, China, May 27 - 30, 2007 ; Proceedings, Part I. - Berlin, Springer, 2007. - (Lecture Notes in Computer Science ; 4487). - 978-3-540-72583-1. - S. 716 - 722
[10.1007/978-3-540-72584-8_95]
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Contribution to a conference proceedings/Contribution to a book
Library Support for Parallel Sorting in Scientific Computations
Euro-Par 2007 Parallel Processing : 13th International Euro-Par Conference, Rennes, France, August 28-31, 2007 ; proceedings. - Berlin, Springer, 2007. - (Lecture notes in computer science ; 4641). - 978-3-540-74465-8. - S. 695 - 704
[10.1007/978-3-540-74466-5_73]
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Journal Article
Fast and accurate determination of the Wigner rotation matrices in the fast multipole method
The journal of chemical physics 124, 144115 (2006) [10.1063/1.2194548]
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Conference Presentation
The Fast-Multipole Method
Workshop on Fast Algorithms for Long-Range Interactions
Seminar, JülichJülich, 7 Apr 2005
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Contribution to a conference proceedings/Contribution to a book
Continuous Fast Multipole Method
High Performance Computing in Chemistry / ed.: J. Grotendorst. - Jülich, FZJ, John von Neumann Institute for Computing, 2004. - (NIC series ; 25). - 3-00-013618-5. - S. 109 - 131
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Poster
The continuous fast multipole method
11. International Congress of Quantum Chemistry 2003
Seminar, BonnBonn, 21 Jul 2003
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Conference Presentation
An improved implementation of the fast multipole method
4. International Symposium of Mathematical Modelling
Seminar, WienWien, 7 Feb 2003
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Poster
An efficient data compression method for the Davidson subspace diagonalization scheme : new possibilities in computational science
Quantum simulations of complex many-body systems : from theory to algorithms ; NIC Winter School
Seminar, KerkradeKerkrade, 25 Feb 2002
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Poster
Fast multipole method
Quantum simulations of complex many-body systems : from theory to algorithms ; NIC Winter School
Seminar, KerkradeKerkrade, 25 Feb 2002
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Conference Presentation
Die rotationsbasierte Fast Multipole Method
2. Projekt-Meeting 'High-Performance Computing in der Chemie' im Zentralinstitut für Angewandte Mathematik
Seminar, JülichJülich, 9 Apr 2002
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Conference Presentation
Fast multipole method
Research Computing Center : Moscow State University
Seminar, MoskauMoskau, 18 Jun 2002
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Poster
Data compression : new possibilities in computational science
Europhysics Conference on Computational Physics
Seminar, AachenAachen, 5 Sep 2001
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