Dissertation "Algorithm and Performance Engineering for HPC Particle Simulations" (2015 - today)
Co-developer of ls1 mardyn (github), a massively parallel Molecular Dynamics (MD) code for large systems.
Co-developer of AutoPas, a node-level auto-tuned particle simulation library developed in the context of the TaLPas project.
Open student projects
I no longer accept any student theses, as I am close to finishing/have finished my PhD. If you are interested in a thesis on particle simulation codes, please check the contact listed here
Joachim Marin: Implementation of the Fast-Multipole-Method Using AutoPas. Bachelorarbeit, 2020 mehr…
Sauermann, Sascha: Integration of the C++ Node-Level AutoTuning Library AutoPas in the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS). Masterarbeit, 2020 mehr…
Thieme, Wolf: Parallelization of Existing Tuning Strategies in AutoPas using MPI. Bachelorarbeit, 2020 mehr…
2019
Candas, Deniz: Auto-Tuning via Machine Learning in AutoPas. Bachelorarbeit, 2019 mehr…
Spahl, Julian: Extending AutoPas to GPUs. Masterarbeit, 2019 mehr…
2018
Daniel Langer: Efficient Verlet-List Implementation for KNL Processors. Bachelorarbeit, 2018 mehr…
Jan Nguyen: Shared-Memory Parallelization of Verlet Lists. Bachelorarbeit, 2018 mehr…
Lettrich, Michael: Design of a Throughput Oriented Network Transport Layer Based on MPI for the Data Acquisition System of the CMS Detector at CERN. Masterarbeit, 2018 mehr…
Tim Bierth: Enhancement and Evaluation of Zonal Methods in ls1 mardyn. Bachelorarbeit, 2018 mehr…
2017
Griebel, Simon: Optimizing Load Balancing of Heterogeneous Particle Simulations on Heterogeneous Systems. Bachelor's thesis, 2017 mehr…
Sauermann, Sascha: Implementation and Optimization of the Midpoint Method in ls1-mardyn. Bachelor's thesis, 2017 mehr…
Schilling, Thomas: Neighbor Lists in Molecular Dynamics Simulations: Implementation and Parallelization. Bachelor's thesis, 2017 mehr…
Schmelz, Andreas: Optimization of Molecular Dynamics Simulations Using One-Sided MPI-Directives. Master's thesis, 2017 mehr…
2016
Spahl, Julian: Evaluation of Zonal Methods for Small Molecular Systems. Bachelor's thesis, 2016 mehr…
FMM Short Workshop
These files have been used at the chair retreet 2017. It uses the pyfmm code published on http://pyfmm.googlecode.com/ under the MIT license. It has been modified for the 2-D charge potential. In the workshop the participants were required to add the translation operators.
Gratl, Fabio Alexander; Seckler, Steffen; Tchipev, Nikola; Bungartz, Hans-Joachim; Neumann, Philipp: AutoPas: Auto-Tuning for Particle Simulations. 2019 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW), IEEE, 2019International Workshop on Automatic Performance Tuning (iWAPT) 2019mehr…
Neumann, Philipp; Tchipev, Nikola; Seckler, Steffen; Heinen, Matthias; Vrabec, Jadran; Bungartz, Hans-Joachim: PetaFLOP Molecular Dynamics for Engineering Applications. In: Nagel, Wolfgang E.; Kröner, Dietmar H.; Resch, Michael M. (Hrsg.): High Performance Computing in Science and Engineering ' 18. Springer International Publishing, 2019, 397-407 mehr…
Steffen Seckler; Fabio Gratl; Nikola Tchipev; Matthias Heinen; Jadran Vrabec; Hans-Joachim Bungartz; Philipp Neumann: Load Balancing and Auto-Tuning for Heterogeneous Particle Systems using ls1 mardyn. High-Performance Computing Center Stuttgart (HLRS), 2019, mehr…
Tchipev, Nikola; Seckler, Steffen; Heinen, Matthias; Vrabec, Jadran; Gratl, Fabio; Horsch, Martin; Bernreuther, Martin; Glass, Colin W; Niethammer, Christoph; Hammer, Nicolay; Krischok, Bernd; Resch, Michael; Kranzlmüller, Dieter; Hasse, Hans; Bungartz, Hans-Joachim; Neumann, Philipp: TweTriS: Twenty trillion-atom simulation. The International Journal of High Performance Computing Applications, 2019, 109434201881974 mehr…
Fabio Alexander Gratl; Steffen Seckler; Nikola Tchipev; Philipp Neumann; Hans-Joachim Bungartz: Auto-Tuning for Short-range Particle Simulation. PASC, 2019 mehr…
Seckler, Steffen; Tchipev, Nikola; Heinen, Matthias; Gratl, Fabio Alexander; Bungartz, Hans-Joachim; Neumann, Philipp: MPI-OpenMP Load Balanced Simulation of Inhomogeneous Particle Systems in ls1 Mardyn at Extreme Scale. SIAM CSE 2019 Spokane, 2019 mehr…
2018
Gratl, Fabio Alexander; Seckler, Steffen; Tchipev, Nikola; Neumann, Philipp; Bungartz, Hans-Joachim: AutoPas: A Library for N-Body Simulations Enabling Optimal Node-Level Performance Through Auto-Tuning. CoSaS, 20182018mehr…
Gratl, Fabio Alexander; Tchipev, Nikola; Seckler, Steffen; Neumann, Philipp; Bungartz, Hans-Joachim: From Molecular Dynamics towards a Node-Level Auto-Tuning Library for N-Body Simulations. ISC, 20182018mehr…
Steffen Seckler: Load Balancing and Auto-Tuning for Heterogeneous Particle Systems using ls1 mardyn. HIGH PERFORMANCE COMPUTING IN SCIENCE & ENGINEERING - 22ND RESULTS AND REVIEW WORKSHOP OF THE HLRS, 2019 mehr…
Steffen Seckler; Fabio Alexander Gratl; Hans-Joachim Bungartz; Philipp Neumann: AutoPas & ls1 mardyn: Enabling Auto-Tuning in MPI+X Load-Balanced Molecular Dynamics Simulations. Particles 2019, 2019VI International Conference on Particle-Based Methodsmehr…
2018
Steffen Seckler; Simon Griebel; Nikola Tchipev; Philipp Neumann; Hans-Joachim Bungartz: Fully Heterogeneous Load Balancing in ls1 MarDyn. SIAM PP 2018, 2018Tokyo, Japanmehr…
2017
Tchipev, Nikola; Costinescu, Andrei; Seckler, Steffen; Neumann, Philipp; Bungartz, Hans-Joachim: Towards Autotuning Between OpenMP Schemes for Molecular Dynamics on Intel Xeon Phi. SIAM Conference on Computational Science and Engineering, 2017Atlanta, Georgiamehr…
2016
Steffen Seckler; Nikola Tchipev; Hans-Joachim Bungartz; Philipp Neumann: Load Balancing for Molecular Dynamics Simulations on Heterogeneous Architectures. 2016 IEEE 23rd International Conference on High Performance Computing, 2016Hyderabad, Indiamehr…
Tchipev, Nikola; Costinescu, Andrei; Seckler, Steffen; Neumann, Philipp; Bungartz, Hans-Joachim: Molecular Dynamics on KNL with ls1-mardyn. Intel Collaboration Hub, ISC High Performance 2016, 2016 mehr…
