Dr. rer. nat. Wolfgang Eckhardt
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(Redirected from Dipl.-Inf. Wolfgang Eckhardt)
- Address:
- TU München
- Institut für Informatik
- Boltzmannstr. 3
- 85748 Garching b. München
- Office:
- MI 02.05.055
- Email:
-
- Phone:
- (089) 289 18 632
- Fax:
- (089) 289 18 607
- Office Hours:
- by arrangement
Contents |
Interests
- Algorithms and Datastructures for High Performance Computing
- Molecular Dynamics Simulations
- GPGPU-Programming
PRACE ISC Award 2013
Together with my co-authors, I received the PRACE ISC Award 2013 for our paper "591 TFLOPS Multi-Trillion Particles Simulation on SuperMUC", in which we describe our optimisations for the code Mardyn and perform the world's largest molecular dynamics simulation at a peak performance of 9.4 % on SuperMUC at LRZ.
Students
Finished Student Projects
Volume 2014
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A. Stephan: Entwicklung eines skalierbaren Checkpoint-Restart Schemas mit parallelem File-I/O [pdf] [BibTeX].
Bachelor's thesis, Institut für Informatik, Technische Universität München, September 2014. -
M. Obersteiner: Parallel Cluster Detection in Nucleation Scenarios [pdf] [BibTeX].
Bachelor's thesis, Institut für Informatik, Technische Universität München, September 2014. -
R. Hajda: Effiziente Vektorisierung des Dipolpotentials in parallelen Molekulardynamik-Simulationen [BibTeX].
Bachelor's thesis, Institut für Informatik, Technische Universität München, February 2014.
Volume 2013
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W. Nicka: Keimdetektion in Gasen [BibTeX].
Bachelor's thesis, Institut für Informatik, Technische Universität München, August 2013. -
J. Cremer: Effiziente Implementierung eines Zeitintegrationsalgorithmus mit CUDA [pdf] [BibTeX].
Studienarbeit/SEP/IDP, Fakultät für Mathematik, Technische Universität München, January 2013.
Volume 2012
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M. Georgiev: Implementation of parallel Ewald-summation techniques [BibTeX].
Master's thesis, Institut für Informatik, Technische Universität München, December 2012. -
T. Kovacevic: Aspects of Hybrid Molecular-Continuum Simulations for Complex Liquids [BibTeX].
Master's thesis, Institut für Informatik, Technische Universität München, October 2012. -
A. C. Cavazos Sepulveda: Analysis of numerical precision requirements of Molecular Dynamics Simulations [BibTeX].
Studienarbeit/SEP/IDP, Institut für Informatik, Technische Universität München, August 2012. -
J. Heckl: Effiziente Vektorisierung von Simulationen für starre mehrzentrige Molekülmodelle [pdf] [BibTeX].
Bachelor's thesis, Institut für Informatik, Technische Universität München, July 2012.
Volume 2011
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P. Hoffmann: Ein Kopplungsansatz für hybride Lattice Boltzmann-Molekulardynamik-Simulationen mit MarDyn [pdf] [BibTeX].
Master's thesis, Institut für Informatik, Technische Universität München, December 2011. -
A. Kirsch: Effiziente Implementierung von mehrzentrigen molekulardynamischen Potentialmodellen mit Cuda [pdf] [BibTeX].
Studienarbeit/SEP/IDP, Institut für Informatik, Technische Universität München, October 2011. -
J. Weißl: Entwicklung eines effizienten Verfahrens zur Simulation langreichweitiger Molekül-Wechselwirkungen [BibTeX].
Master's thesis, Institut für Informatik, Technische Universität München, October 2011. -
Y. Guo: Numerische Aspekte bei Molekulardynamik-Simulationen: Muster zur Speicheroptimierung der Linked-Cells Datenstruktur [pdf] [BibTeX].
Studienarbeit/SEP/IDP, Institut für Informatik, Technische Universität München, January 2011.
Volume 2010
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K. Orend: Numerische Aspekte bei Molekulardynamik-Simulationen - Beschleunigung durch Graphikkarten [pdf] [BibTeX].
Studienarbeit/SEP/IDP, Institut für Informatik, Technische Universität München, September 2010. -
J. Kummerow: Numerische Aspekte bei Molekulardynamik-Simulationen - Implementierung und Vergleich weiterer Zeitintegrationsverfahren [pdf] [BibTeX].
Studienarbeit/SEP/IDP, Institut für Informatik, Technische Universität München, September 2010.
Teaching
Tutorial: Scientific_Computing_II_-_Summer_13
Tutorial: Introduction_to_Scientific_Computing_II_-_Summer_12
Tutorial: Introduction_to_Scientific_Computing_II_-_Summer_11
PSE Molekulardynamik WS10
Masterpraktikum_Scientific_Computing_-_High_Performance_Computing_-_Winter_10
Tutorial: Algorithms_of_Scientific_Computing_II_-_Winter_10
Tutorial: Introduction_to_Scientific_Computing_II_-_Summer_10
Masterpraktikum_Scientific_Computing_-_High_Performance_Computing_-_Winter_09
Publications
Volume 2016
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H.-J. Bungartz, P. Neumann, N. Tchipev, W. Eckhardt and P. Jarmatz: Coupling 4 Molecular Dynamics Codes in a Massively Parallel Molecular-Continuum Fluid Dynamics Framework [BibTeX].
In S. Wagner, A. Bode, H. Brüchle and M. Brehm (ed.), High Performance Computing in Science and Engineering Garching/Munich 2016, p. 156–157. Bayerische Akademie der Wissenschaften, München, July 2016. -
S. Becker, K. Stöbener, S. Werth, S. Eckelsbach, W. Eckhardt, A. Heinecke, N. Tchipev, H.-J. Bungartz, J. Vrabec and H. Hasse: High accuracy molecular dynamics simulation of fluids at interfaces [BibTeX].
In S. Wagner, A. Bode, H. Brüchle and M. Brehm (ed.), High Performance Computing in Science and Engineering Garching/Munich 2016, p. 122–123. Bayerische Akademie der Wissenschaften, München, July 2016.
Volume 2015
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N. Tchipev, A. Wafai, C. W. Glass, W. Eckhardt, A. Heinecke, H.-J. Bungartz and P. Neumann: Optimized Force Calculation of Molecular Dynamics Simulations for the Intel Xeon Phi [BibTeX].
In Euro-Par 2015: Parallel Processing Workshops, Volume 9523 of Lecture Notes in Computer Science, p. 774–785. Springer, Vienna, June 2015. - A. Heinecke, W. Eckhardt, M. Horsch and H.-J. Bungartz: Supercomputing for Molecular-Dynamics Simulations: Handling Multi-Trillion Particles in Nanofluidics [BibTeX] of Springer Briefs in Computer Science. Springer, June 2015.
Volume 2014
- W. Eckhardt: Efficient HPC Implementations for Large-Scale Molecular Simulation in Process Engineering [BibTeX]. Dr. Hut, München, June 2014.
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W. Eckhardt: Efficient HPC Implementations for Large-Scale Molecular Simulation in Process Engineering [BibTeX].
Dissertation, Institut für Informatik, Technische Universität München, June 2014. Dissertation erhältlich im Verlag Dr. Hut unter ISBN 978-3-8439-1746-9 . -
P. Neumann, W. Eckhardt and H.-J. Bungartz: Hybrid molecular-continuum methods: From prototypes to coupling software [BibTeX].
In Computers and Mathematics with Applications, Volume 67 of Special issue ICMMES 2012, p. 272–281, January 2014. -
P. Neumann, W. Eckhardt and H.-J. Bungartz: A Radial Distribution Function-Based Open Boundary Force Model for Multi-Centered Molecules [
] [BibTeX].
In International Journal of Modern Physics C, Volume 25(6), 2014. -
H.-J. Bungartz, W. Eckhardt and A. Heinecke: Large-Scale Molecular Dynamics in Chemical Engineering [pdf] [BibTeX].
In S. Wagner, A. Bode, H. Satzger and M. Brehm (ed.), High Performance Computing in Science and Engineering, p. 194–195. Leibniz-Rechenzentrum, Garching/Munich, 2014.
Volume 2013
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W. Eckhardt, A. Heinecke, W. Hoelzl and H.-J. Bungartz: Vectorization of Multi-Center, Highly-Parallel Rigid-Body Molecular Dynamics Simulations [pdf] [BibTeX].
In Supercomputing 2013, The International Conference for High Performance Computing, Networking, Storage and Analysis.. IEEE, Denver, November 2013. Poster abstract.. -
W. Eckhardt, A. Heinecke, R. Bader, M. Brehm, N. Hammer, H. Huber, H.-G. Kleinhenz, J. Vrabec, H. Hasse, M. Horsch, M. Bernreuther, C. Glass, C. Niethammer, A. Bode and H.-J. Bungartz: 591 TFLOPS Multi-Trillion Particles Simulation on SuperMUC [BibTeX].
In International Supercomputing Conference (ISC) Proceedings 2013, Volume 7905 of Lecture Notes in Computer Science, p. 1–12. Springer, Heidelberg, Germany, June 2013. -
W. Eckhardt and A. Heinecke: SuperMUC boosts the largest molecular dynamics simulation by 4X in Number of Particles [BibTeX].
In inside - Innovatives Supercomputing in Deutschland, Volume 11(1), p. 19–21, May 2013.
Volume 2012
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W. Eckhardt and T. Neckel: Memory-Efficient Implementation of a Rigid-Body Molecular Dynamics Simulation [html] [BibTeX].
In Proceedings of the 11th International Symposium on Parallel and Distributed Computing - ISPDC 2012, p. 103–110. IEEE, Munich, June 2012. -
W. Eckhardt and A. Heinecke: An efficient Vectorization of Linked-Cell Particle Simulations [BibTeX].
In ACM International Conference on Computing Frontiers, p. 241–243, May 2012. -
C. Niethammer, C. W. Glass, M. Bernreuther, S. Becker, T. Windmann, M. T. Horsch, J. Vrabec and W. Eckhardt: Innovative HPC Methods and Application to Highly Scalable Molecular Simulation (IMEMO) [BibTeX].
In Inside - Innovatives Supercomputing in Deutschland, Volume 10(1), April 2012.
Volume 2010
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H.-J. Bungartz, W. Eckhardt, T. Weinzierl and C. Zenger: A Precompiler to Reduce the Memory Footprint of Multiscale PDE Solvers in C++ [] [BibTeX].
In P.M.A. Sloot (ed.), Future Generation Computer Systems, Volume 26(1), p. 175–182. Elsevier, January 2010. -
W. Eckhardt and T. Weinzierl: A Blocking Strategy on Multicore Architectures for Dynamically Adaptive PDE Solvers [pdf] [BibTeX].
In R. Wyrzykowski, J. Dongarra, K. Karczewski and J. Wasniewski (ed.), Parallel Processing and Applied Mathematics, PPAM 2009, Volume 6068(1) of Lecture Notes in Computer Science, p. 567––575. Springer-Verlag, 2010.
Volume 2009
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W. Eckhardt: Automatisierte Rekursionseliminierung für einen dynamisch adaptiven PDE Löser [pdf] [BibTeX].
Diplomarbeit, Institut für Informatik, Technische Universität München, May 2009.
Volume 2008
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H.-J. Bungartz, M. Mehl, T. Weinzierl and W. Eckhardt: DaStGen - A Data Structure Generator for Parallel C++ HPC Software [] [BibTeX].
In Bubak, van Albada, Sloot and Dongarra (ed.), ICCS 2008: Advancing Science through Computation, Part III, Volume 5103 of Lecture Notes in Computer Science, p. 213–222. Springer-Verlag, Heidelberg, Berlin, June 2008.
Volume 2007
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W. Eckhardt: Design and Implementation of a Record Class Generator for HPC Applications [BibTeX].
Studienarbeit/SEP/IDP, Fakultät für Informatik, Technische Universität München, November 2007.
Talks
Volume 2015
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N. Tchipev, A. Wafai, C. Glass, W. Eckhardt, A. Heinecke, H.-J. Bungartz and P. Neumann: Optimized Force Calculation of Molecular Dynamics Simulations for the Intel Xeon Phi [BibTeX].
Euro-Par 2015: Parallel Processing Workshops, Vienna, August 2015. -
N. Tchipev, W. Eckhardt, A. Heinecke, P. Neumann and H.-J. Bungartz: SIMD Vectorization for Molecular Dynamics [BibTeX].
ISC '15 BoF Exploiting SIMD-Parallelism - Today and Tomorrow, Frankfurt, July 2015. -
N. Tchipev, W. Eckhardt, P. Neumann and H.-J. Bungartz: Extending the Vectorization of ls1-mardyn [BibTeX].
International Workshop Molecular Modelling and Simulation: Science, Engineering and Industrial Applications, Frankfurt, March 2015. -
M. Horsch, S. Werth, C. Niethammer, C. Glass, W. Eckhardt, P. Neumann, H.-J. Bungartz, J. Vrabec, H. Hasse and T. Neckel: Computational Molecular Engineering: An Emerging Technology in Process Engineering [BibTeX].
SIAM CSE, Salt Lake City, March 2015.
Volume 2014
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W. Eckhardt, N. Tchipev and P. Neumann: ls1 mardyn: Vectorisation, Multicore Exploitation and Large-Scale Distributed-Memory Parallelisation [BibTeX].
Workshop Exploiting Heterogeneous Multi-Core and Many-Core Platforms for Atomic and Molecular Simulations, Daresbury Laboratory, September 2014. -
W. Eckhardt: Longrange Electrostatics: Ewald vs. ExaFMM [BibTeX].
VI. Jahrestagung der Boltzmann-Zuse-Gesellschaft, Paderborn, June 2014. -
W. Eckhardt: Optimising a Molecular Dynamics Code for Xeon Phi: a Case Study [BibTeX].
HP-Cast 22, Leipzig, June 2014.
Volume 2013
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W. Eckhardt: 591 TFLOPS Multi-trillion Particles Simulation on SuperMUC [pdf] [BibTeX].
International Supercomputing Conference 2013, Leipzig, June 2013. -
W. Eckhardt: 591 TFLOPS Multi-trillion Particles Simulation on SuperMUC [BibTeX].
PRACE Scientific Conference 2013, Leipzig, June 2013. -
W. Eckhardt: 591 TFLOPS Multi-trillion Particles Simulation on SuperMUC [BibTeX].
V. Jahrestagung der Boltzmann-Zuse-Gesellschaft, Kaiserslautern, TU Kaiserslautern, June 2013. -
W. Eckhardt: The Simulation Code Mardyn - Recent Developments [BibTeX].
International Workshop Molecular Modeling an Simulation: Natural Science meets Engineering, Frankfurt, March 2013.
Volume 2012
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W. Eckhardt: Efficient Implementation of MD Simulation [BibTeX].
IV. Jahrestagung der Boltzmann-Zuse-Gesellschaft, Universität Paderborn, June 2012. -
W. Eckhardt: Memory-Efficient Implementation of a Rigid-Body Molecular Dynamics Simulation [pdf] [BibTeX].
The 11th International Symposium on Parallel and Distributed Computing - ISPDC 2012, Garching, June 2012. -
W. Eckhardt: An efficient Vectorization of Linked-Cell Particle Simulations [BibTeX].
ACM International Conference on Computing Frontiers. Ph.D. Forum., Cagliari, May 2012. -
W. Eckhardt: Memory-Efficient Implementation of a Rigid-Body Multi-Center Molecular Dynamics Simualtion for Nano-Fluidics [pdf] [BibTeX].
ASIM TCSE, Wien, February 2012. Poster Presentation.
Volume 2011
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P. Neumann, P. Hoffmann, W. Eckhardt and J. Harting: All Good Things Come in Threes: Current Software and Algorithmic Developments for Molecular Dynamics-Lattice Boltzmann Simulations [pdf] [BibTeX].
Cecam Workshop Multiscale Modeling of Simple and Complex Liquid Flow Using Particle-Continuum Hybrids, Zaragoza, October 2011. Poster Presentation.
Volume 2009
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W. Eckhardt and T. Weinzierl: A Blocking Strategy on Multicore Architectures for Dynamically Adaptive PDE Solvers [BibTeX].
PPAM 2009, Wroclaw, Poland, September 2009.
