EXASTEEL 1/2 - Bridging Scales for Multiphase Steels (DFG SPPEXA)

EXASTEEL@SPPEXA EXASTEEL2@SPPEXA

Prof. Dr.-Ing. Daniel Balzani Mechanics, Engineering
Prof. Dr. A. Klawonn Numerical Analysis and Numerical Simulation, Mathematics
Prof. Dr. Oliver Rheinbach High Performance Computing, Mathematics
Prof. Dr.-Ing. Jörg Schröder Mechanics, Engineering
Prof. Dr. Gerhard Wellein High Performance Computing, Computer Science
Prof. Dr. Olaf Schenk Computer Science (in EXASTEEL-II)

In the project EXASTEEL algorithms and software are developed for the computational simulation of advanced high strength steels, incorporating phase transformation phenomena at the microscale. The target platform are future supercomputers at the exascale. To accomplish this goal, new ultra-scalable, robust algorithms and solvers are developed and incorporated into a new application software for the simulation of this three dimensional multiscale material science problem. A direct multiscale approach (FE^2) is combined with new, highly efficient, nonlinear parallel solver algorithms. For the latter algorithms, a hybrid algorithmic approach is be taken, combining nonoverlapping parallel domain decomposition (FETI) methods with efficient, parallel multigrid preconditioners. Engineers, mathematicians and computer scientist work closely together in this project. We refer to our approach, combining FE^2 with FETI-DP as FE^2TI-approach. The envisioned scale-bridging will still require a computational power which will only be obtainable when exascale computing becomes available.

New Paper

Our publication on computational homogenization using a million parallel processes has been published. Preprint here

Solving Nonlinear Sparse Systems Using irFETI-DP-1 on MIRA

Computational Scale Bridging in 3D on JUQUEEN

For details on FE2TI on the JUQUEEN supercomputer also see the Julich Internal Report FZJ-2015-01645, pp.15-21, on the JUQUEEN Extreme Scaling Workshop 2015.

Meanwhile, we also participated in the JUQUEEN Extreme Scaling Workshop 2016; see also the report Report on iFETI

Mira Performance Bootcamp 2015

Workshop on Exascale Computing 2013

Workshop on New Algorithms for Exascale Computing

Book of Abstracts

Poster on EXASTEEL

EXASTEEL poster explaining the FE^2 method

EXASTEEL poster explaining the algorithmic approach

Publications from EXASTEEL

Journal Publications from EXASTEEL (published)

Klawonn, A., Köhler, S., Lanser, M., Rheinbach, O., Computational homogenization with million-way parallelism using domain decomposition methods, Computation Mechanics, 2019, online first, https://doi.org/10.1007/s00466-019-01749-5

Klawonn, A.; Lanser, M., Rheinbach, O., Nonlinear BDDC methods with approximate solvers, Electronic Transactions on Numerical Analysis 49(1), 2018, pp. 244-273. PDF of Open Access Paper

Klawonn, A.; Lanser, M., Rheinbach, O.; Uran, M., "Nonlinear FETI-DP and BDDC Methods: A Unified Framework and Parallel Results". SIAM Journal on Scientific Computing 2017 39:6, C417-C451; https://dx.doi.org/10.1137/16M1102495 TUBAF Preprint 12/2016

Axel Klawonn, Martin Lanser, Oliver Rheinbach, "Toward Extremely Scalable Nonlinear Domain Decomposition Methods for Elliptic Partial Differential Equations". SIAM J. Sci. Comput., 37-6 (2015), pp. C667-C696. Open full paper download http://dx.doi.org/10.1137/140997907 TUBAF Preprint 2014-13

Martin Lanser, Axel Klawonn, and Oliver Rheinbach, "Nonlinear FETI-DP and BDDC methods.", SIAM J. Scientific Computing, 36 (2), pp. A311-C239, 2014. Open full paper download. Download at publisher's site:http://dx.doi.org/10.1137/130920563.

J. Schröder, A. Gandhi, and D. Balzani. Two-scale modeling of DP steel incorporating distributed properties inside the micro-constituents. Procedia Engineering, 81:13901395, 2014. http://dx.doi.org/10.1016/j.proeng.2014.10.162

Journal Publications from EXASTEEL (submitted)

D. Balzani, A. Gandhi, M. Tanaka, and J. Schröder. Numerical calculation of thermo-mechanical problems at large strains based on a robust approximation scheme for tangent stiffness matrices. Submitted to Computational Mechanics.

D. Brands, D. Balzani, L. Scheunemann, J. Schröder, H. Richter, and D. Raabe. Computational modeling of dual-phase steels based on representative three-dimensional microstructures obtained from EBSD data. Submitted to Archive of Applied Mechanics.

Thomas Josef Baron, Kirill Khlopkov, Thomas Pretorius, Daniel Balzani, Dominik Brands and Jörg Schröder, Modeling of microstructure evolution with dynamic recrystallization in finite element simulations of martensitic steel, Steel Research International.

Conference Proceedings from EXASTEEL (refereed)

D. Balzani, A. Gandhi, A. Klawonn, M. Lanser, O. Rheinbach and J. Schröder, "One-way and fully-coupled FE^2 methods for heterogeneous elasticity and plasticity problems: Parallel scalability and an application to thermo-elastoplasticity of dual-phase steels", Lect. Notes Comput. Sci. Eng. https://doi.org/10.1007/978-3-319-40528-5_5 Also TUBAF Preprint 2015-13

Axel Klawonn, Martin Lanser, Patrick Radtke, and Oliver Rheinbach, "On an Adaptive Coarse Space and on Nonlinear Domain Decomposition", Domain Decomposition Methods in Science and Engineering XXI, Jocelyne Erhel, Martin J. Gander, Laurence Halpern, Geraldine Pichot, Taoufik Sassi, and Olof B. Widlund (Eds.), Springer-Verlag, Lecture Notes in Computational Science and Engineering, Vol. 98, pp. 71-83, 2014. http://dx.doi.org/10.1007/978-3-319-05789-7_6 Preprint at INRIA

Axel Klawonn, Martin Lanser, and Oliver Rheinbach, "A Nonlinear FETI-DP Method with an Inexact Coarse Problem", Proceedings of the 22nd International Conference on Domain Decomposition Methods in Science and Engineering, Lugano, Switzerland, September 2013. Editors: Dickopf, T., Gander, M., Krause, R., Pavarino, L. Springer Lecture Notes on Computational Science and Engineering, 2015. 12p. Submitted January 2014, revised version July 2014. Accepted for publication October 2014. TUBAF Preprint

Axel Klawonn, Martin Lanser, Oliver Rheinbach, Holger Stengel, Gerhard Wellein, "Hybrid MPI/OpenMP parallelization in FETI-DP methods". Chapter in Recent Trends in Computational Engineering - CE2014 Volume 105 of the series Lecture Notes in Computational Science and Engineering, Miriam Mehl, Manfred Bischoff, and Michael Schäfer (eds), pp. 67-84, 2015. http://dx.doi.org/10.1007/978-3-319-22997-3_4 TUBAF Preprint 2015-02

Other Conference Proceedings or Technical Reports from EXASTEEL (submitted)

A. Klawonn, M. Lanser, O. Rheinbach, "A highly scalable implementation of inexact Nonlinear FETI-DP without sparse direct solvers". Submitted 12/2015 to Lect. Notes Comput. Sci. Eng. TUBAF Preprint 2015-17

Allison H. Baker, Axel Klawonn, Tzanio Kolev, Martin Lanser, Oliver Rheinbach, and Ulrike Meier Yang, "Scalability of Classical Algebraic Multigrid for Elasticity to Half a Million Parallel Tasks". Submitted 11/2015 to Lect. Notes Comput. Sci. Eng. TUBAF Preprint 2015-14

Axel Klawonn, Martin Lanser, and Oliver Rheinbach, "FE^2TI: Computational Scale Bridging for Dual-Phase Steels" Accepted to ParCo 2015. TUBAF Preprint 2015-12

A. Gandhi, D. Balzani, and J. Schröder. Modeling advanced high-strength steels based on direct micro-macro calculations. Proceedings of Applied Mathematics and Mechanics, 14:587588, 2014. http://dx.doi.org/10.1002/pamm.201410281

Axel Klawonn, Martin Lanser, and Oliver Rheinbach, "EXASTEEL - Computational Scale Bridging using a FE^2TI approach with (ex_nl/FE^2)", JUQUEEN Extreme Scaling Workshop 2015. Report

Talks given on EXASTEEL

2019

  1. Oliver Rheinbach, Computational Scale-Bridging with Million-way Concurrency, Advanced Solvers for modern Architectures 2019 November 11-13, 2019, Münster, Germany
  2. Oliver Rheinbach, Computational Homogenization with Million-way Parallelism, SPPEXA Symposium 2019, October 21-23, 2019, Dresden, Germany
  3. Oliver Rheinbach, Supercomputing für neue Materialien, Einweihung des neuen Compute Clusters, URZ, Technische Universität Bergakademie Freiberg, 27.9.2019
  4. Oliver Rheinbach, Large Scale Homogenization using FE2TI, ICIAM 2019, Valencia, July 15-19, 2019

2018

  1. Oliver Rheinbach, Extreme Scale Computing for New Materials, Särkisaari, 2018, 11th Workshop on Analysis and Advanced Numerical Methods for Partial Differential Equations, Särkisaari, Finland, August 2018, Strobl, Austria.

2017

  1. Oliver Rheinbach, Nonlinear Domain Decomposition Solvers on the Exascale, Sept. 7-8, 2017; 17th GAMM Workshop Applied and Numerical Linear Algebra, Cologne Germany.
  2. Oliver Rheinbach, Domain Decomposition for Extreme Scale Computing, Workshop in Honor of Olof Widlund, Feb. 24 - 25, 2017; New York, USA.
  3. Oliver Rheinbach, FE2TI - An Extremely Scalable Computational Homogenization Approach in 3D, 2017; SIAM Conference on Computational Science & Engineering; Feb. 27 - Mar 3, 2017; Atlanta USA.
  4. Oliver Rheinbach, Parallel Nonlinear Domain Decomposition in Multiscale Problems, June 26-28, 2017; Platform for Advanced Scientific Computing (PASC), Lugano.
  5. (incomplete)

2016

  1. Oliver Rheinbach, Scaling Nonlinear FETI-DP Domain Decomposition Methods to 786452 Cores, 14.04.2016, SIAM Parallel Processing 2015, Paris.
  2. Martin Lanser, FE2TI - Computational Scale Bridging for Dual-Phase Steels, 13.04.2016, SIAM Parallel Processing 2015, Paris.
  3. Axel Klawonn, A Framework for Nonlinear FETI-DP and BDDC Domain Decomposition Methods, 14.04.2016, SIAM Parallel Processing 2015, Paris.
  4. Oliver Rheinbach, Parallel Implicit Solvers for Partial Differential Equations, Seminar of the Work Group on Complex and Distributed IT Systems, TU Berlin, 13.01.2016.
  5. (incomplete)

2015

  1. Oliver Rheinbach, EXASTEEL - Bridging Scales for Multiphase Steels, JUQUEEN Scaling Workshop, Jülich, Feb. 5-6, 2015.
  2. Oliver Rheinbach (TU Bergakademie Freiberg), EXASTEEL - Bridging Scales for Multiphase Steels, SPPEXA Annual Meeting 2015, Munich, Germany, March 10-12, 2015.
  3. Axel Klawonn (Universität zu Köln), Parallel Scalable FETI Methods for Nonlinear Problems, SIAM Conference on Computational Science and Engineering -- SIAM CSE, Salt Lake City, USA, March 14-18, 2015.
  4. Masato Tanaka (Toyota Central R&D Laboratories), Automatic implementation of elasto-plastic incremental formulations at finite strains using hyper-dual numbers, Annual Conference of the GAMM, Lecce, Italy, March 23-27, 2015.
  5. Holger Stengel (Universität Erlangen-Nürnberg), EXASTEEL - Node Level Performance Analysis and Optimization in FETI-DP Methods. Talk at Platform for Advanced Scientific Computing Conference (PASC 2015), Zürich, Switzerland, June 2nd, 2015
  6. Oliver Rheinbach, Axel Klawonn, Computational Scale Bridging using PETSc on 458K Cores, Celebrating 20 years of Computational Science with PETSc, Chicago, June 15-18, 2015.
  7. Axel Klawonn (Universität zu Köln), Nonlinear FETI-DP and BDDC Methods -- Towards Computing on the Extreme Scale, 23rd International Conference on Domain Decomposition Methods in Science and Engineering, South Korea, Jeju Island, July 6-10, 2015.
  8. Oliver Rheinbach (TU Bergakademie Freiberg), "Domain Decomposition Methods in Computational Scale Bridging for Extreme Scale Computations", 23rd International Conference on Domain Decomposition Methods, South Korea, July 6-10, 2015.
  9. on
  10. Gerhard Wellein (Universität Erlangen-Nürnberg), Some Obstacles on the Way to Reproducibility of Performance Measurements - Tales from the trenches. Invited talk at Repar 2015 workshop at Europar 2015 conference, Vienna, Austria, August 25, 2015.
  11. Axel Klawonn (Universität zu Köln), Nonlinear FETI-DP and BDDC Methods -- Towards Computing on the Extreme Scale, Conference on Numerical Methods for Large-Scale Nonlinear Problems, ICERM, Brown University, Providence, USA, August 31 - September 4, 2015.
  12. Martin Lanser (Universität zu Köln), FE2TI: Computational Scale Bridging for Dual-Phase Steels, ParCo 2015, Edinburgh, September 1-4, 2015.
  13. Axel Klawonn (Universität zu Köln), Nonlinear FETI-DP and BDDC Methods -- Towards Computing on the Extreme Scale, ENUMATH2015 - European Conference on Numerical Mathematics, Ankara, Turkey, September 14-18, 2015.
  14. Dominik Brands (Universität Duisburg-Essen), Simulation of DP steel using SSRVEs based on 3D EBSD-FIB and experimental data, Gamm Seminar on Microstructures, Regensburg, 2015.
  15. Daniel Balzani (Technische Universität Dresden), Modeling and simulation of complex materials - multiphase steels and soft biological tissues, Toyota Central R\&D Laboratories, Japan, 2015.
  16. Daniel Balzani (Technische Universität Dresden), Aspects of advanced high-strength steel simulations based on direct two-scale calculations, 3rd International Workshop on Advances in Computational Mechanics (IWACOM), Tokyo, Japan, October 13, 2015
  17. Masato Tanaka (Toyota Central R\&D Laboratories), Implementation of finite strain materials using hyper dual numbers, 3rd International Workshop on Advances in Computational Mechanics (IWACOM), Tokyo, Japan, October 13, 2015.

2014

  1. Martin Lanser, (Universität zu Köln), New Approaches to Nonlinear Domain Decomposition, GAMM Annual Meeting 2014, Erlangen, March 10-14, 2014.
  2. Ashutosh Gandhi (Technische Universität Dresden), Modeling advanced high strength steels based on direct micro-macro calculations, Annual Conference of the GAMM, March 10-14, Erlangen, 2014.
  3. Axel Klawonn (Universität zu Köln), Domain Decomposition Methods - Towards Extreme Scalability Using Nonlinear Approaches, Invited Talk, Workshop Exploiting Different Levels of Parallelism for Exascale Computing, Conference: ACMS-ICS, Munich, Germany, June 10, 2014.
  4. Daniel Balzani (Technische Universität Dresden), Approach for the incorporation of microscopically distributed properties in DP steels, IUTAM Symposium on Micromechanics of Defects in Solids, June 09-13, Seville, Spain, 2014.
  5. Holger Stengel (Universität Erlangen), Performance Engineering of Stencil Updates on Modern Processors, SPPEXA PhD Seminar, Erlangen (Germany), June 18, 2014.
  6. Axel Klawonn (Universität zu Köln), Domain decomposition methods - Towards extreme scalability using new nonlinear approaches and enhanced robustness using adaptive coarse spaces, Conference: ACOMEN 2014 - 6th International Conference on Advanced Computational Methods in Engineering, Invited Plenary Talk, Ghent, Belgium, June 23-28, 2014.
  7. Oliver Rheinbach, Scalable Nonlinear FETI-DP Methods, 8th International Workshop on Parallel Matrix Algorithms and Applications, Lugano July 2-4, 2014.
  8. Axel Klawonn (Universität zu Köln), Parallel domain decomposition methods for nonlinear problems, Invited Plenary, Workshop Modelling and Simulation in Biomechanics, Mariatrost/Graz, Austria, September 15-17, 2014.
  9. Martin Lanser, (Universität zu Köln), A massively parallel domain decomposition / AMG method for elasticity problems, Computational Science Day 2014, Cologne, September 29, 2014.
  10. Axel Klawonn (Universität zu Köln), Domain Decomposition Methods - Part II: Parallel Scalability and Nonlinear Approaches, Invited Plenary Talk Woudschoten Conferentie 2014, Woudschoten/Zeist, The Netherlands, October 8-10, 2014.
  11. Martin Lanser, (Universität zu Köln), New Approaches to Nonlinear Domain Decomposition, 3rd International Workshop on Computational Engineering CE 2014, Stuttgart, October 6-10, 2014.
  12. Jörg Schröder (Universität Duisburg-Essen), Two-scale modeling of DP steel incorporating distributed properties inside the micro-constituents, 11th International Conference on Technology of Plasticity, October 19-24, Nagoya, Japan, 2014.
  13. Martin Lanser, (Universität zu Köln), A massively parallel domain decomposition / AMG method for elasticity problems, Numerical Methods for High-Performance Computing, Heidelberg, December 1-3, 2014.

2013

  1. Oliver Rheinbach (TU Freiberg), Nonlinear FETI-DP Methods, Conference: High Performance Computing in Science and Engineering, Soláň, Invited Plenary Talk, Soláň, Czech Republic, May 27-30, 2013. Holger Stengel (Universität Erlangen), Performance Modeling of Stencil Codes, Terra-Neo internal workshop, Pommersfelden (Germany), May 16-18, 2013
  2. Axel Klawonn (Universität zu Köln), Nonlinear FETI-DP and BDDC Methods, Conference: MAFELAP 2013 - The Mathematics of Finite Elements and Applications, Brunel University, United Kingdom, June 11-14, 2013.
  3. Oliver Rheinbach (TU Freiberg), Nonlinear FETI-DP - Local Flops are free, Conference: ISC, SPPEXA Satellite Event, Leipzig, June 19, 2013.
  4. Axel Klawonn (Universität zu Köln), Nonlinear FETI-DP and BDDC Methods, Conference: Domain Decomposition Methods for Optimization with PDE Constraints, Invited Plenary Talk, Monte Verita, Ascona, Switzerland, September 1-6, 2013. Holger Stengel (Universität Erlangen), Performance Modeling of Stencil Codes, International Conference on Parallel Computing, Technische Universität München, September 10-13, 2013
  5. Oliver Rheinbach (TU Freiberg), Nonlinear FETI-DP Methods, Conference: 22nd International Conference on Domain Decomposition Methods in Science and Engineering, Invited Plenary Talk, University of Lugano, Switzerland, September 16-20, 2013.
  6. Ashutosh Gandhi (Universität Duisburg-Essen), Bridging scales for multiphase steels, Workshop: SPPEXA Doctoral retreat - Application and Algorithm: Combination of software tools and programming, Darmstadt, September 16-20, 2013
  7. Martin Lanser (Universität zu Köln), Nonlinear and Nonoverlapping Domain Decomposition - Nonlinear FETI-DP, Workshop: SPPEXA Doctoral retreat - Application and Algorithm: Combination of software tools and programming, Darmstadt, September 16-20, 2013
  8. Axel Klawonn (Universität zu Köln), Scalable Domain Decomposition Methods in Parallel High Performance Computing and Applications in Medicine and Engineering, Workshop Computational Sciences in Cologne, University of Cologne, October 25, 2013.
  9. Axel Klawonn (Universität zu Köln), Nonlinear and Robust FETI-DP Domain Decomposition Methods, Conference: Implicitly Constituted Materials: Modeling, Analysis, and Computing, Chateau Liblice, Invited Plenary Talk, Czech Republic, November 24-27, 2013.
  10. Martin Lanser (Universität zu Köln), New Approaches to Nonlinear Domain Decomposition, SPPEXA Workshop New Algorithms for Exascale Computing, University of Cologne, December 3-6, 2013

Outreach: Oliver Rheinbach, Bergakademie Freiberg: Homogenisierung im Höchstleistungsrechner, Acamonta - Zeitschrift für Freunde und Förderer der Technischen Universität Bergakademie Freiberg, 22. Jg. 2015, S. 40-43