ECFD workshop, 5th edition, 2022

Description

ECFD5 workshop logo.

• Event from 23th to 28th of January 2022
• Location: Centre Bonséjour, Merville-Franceville, near Caen (14)
• Two types of sessions:
  • common technical presentations: roadmaps, specific points.
  • mini-workshops. Potential workshops are listed below.
• Free of charge
• More than 50 participants from academics (CERFACS, CORIA, IMAG, LEGI, EM2C, UMONS, UVM, VUB, UCL, TUDelft), HPC center/experts (GENCI, AMD, CINES, CRIANN) and industry (Safran, Ariane Group, Siemens-Gamesa).

• Objectives
  • Bring together experts in high-performance computing, applied mathematics and multi-physics CFDs
  • Identify the technological barriers of exaflopic CFD via numerical experiments
  • Identify industrial needs and challenges in high-performance computing
  • Propose action plans to add to the development roadmaps of the CFD codes

News

• 03/11/2021: First announcement of the 5th Extreme CFD Workshop & Hackathon !

• 13/01/2022: After discussions with the participants, the 5th Extreme CFD Workshop & Hackathon is maintained as an in-person event! It will be also possible to attend to the plenary sessions and participate remotely to the workshop.

• 14/01/2022: The ECFD5 program is online! The plenary sessions will be announced soon!

• 20/01/2022: The plenary sessions are now defined:
  • P1 - 24/01/2022: GPU porting challenges and quantum computing, présentation machine Adastra by G. Staffelbach (CERFACS) + Presentation of the new cluster from CINES called Adastra by C. Andrieu (CINES)
  • P2 - 25/01/2022: News, perspectives and future of GPU computing applied to CFD by A. Toure (AMD)
  • P3 - 26/01/2022: Theory, applications and perspectives of the Lattice-Boltzmann Method by P. Boivin (M2P2)
  • P4 - 27/01/2022: Concepts and notions of mesh adaptation by C. Dapogny (LJK)

• 23/04/2022: The ECFD5 event has now started !! LinkedIn post

Agenda

Thematics / Mini-workshops

These mini-workshops may change and cover more or less topics. This page will be adapted according to your feedback.

Combustion - K. Bioche, VUB

• Sub-project 1: H2/air jet-in-cross-flow numerical simulations (R. Le Dortz, E. Riber, Q. Douasbin)

The use of hydrogen as an aviation fuel requires new combustion chamber design. Among strategies to prevent flame flashback and low flame residence time, the micromix injection system is further studied by ENABLEH2. This systems corresponds to a multitude of H2/air jet-in-cross-flow configurations. A 3D numerical simulation with realistic thermodynamics and kinetics is now tractable thanks to massively parralel computing. This week saw the completion of the first steps towards the establishment of a complete simulation. (I) The non-reactive air injection in the combustion chamber. (II) The cross-injection of H2 without ignition. (III) The ignition of this mixture modeled with the skeletal kinetic mechanism of Boivin (H2, H, O2, OH, O, H2O, HO2, H2O2, N2). Further work will be realised concerning mesh refinement, modelling of NOx and porting of the computation on GPU.

• Sub-project 2: LES calculation of the MICADO test rig with multicomponent jetA1 (S. Puggelli, T. Lesaffre, E. Riber, B. Cuenot)

The EU-funded project ALTERNATE has the goal of exploring the possibility for a wider utilisation of aviation sustainable fuels. A part of the project deals with the assessment of the effect of SAFs on soot production: using the experimental information obtained at ONERA in high-pressure conditions on the MICADO test rig, the effect of Alcohol to Jet (ATJ-SPK) fuel on soot levels are assessed and compared with standard jet A1 emissions. During the project, STech and CERFACS are working jointly on the numerical modelling of soot emissions for jet-A1 and ATJ-SPK combustion in AVBP. Starting from the numerical setup under-development for jet-A1, the worshop permitted to: (I) Switch from a 2-step kinetic mechanism to a complex 29 species, 233 reacs and 15 QSS mechanism. This transition was efficiently conducted with the tool Multi Table Generator. (II) At this stage, an assessment of the effects of the flame sensor on the calculation results was carried out, indicating the consistent behaviour of a recently developped sensor w.r.t classical tools. (III) Switch towards a multicomponent formulation of jet-A1 and assessment of the effect of such advanced approach with respect to the single-component formulation previously employed. Further work will be realised to manage the stiffness of employed kinetics and to compare jet-A1 and ATJ-SPK fuels from a chemical point of view.

• Sub-project 3: Euler-Lagrange Multigrid Simulation (T. Lesaffre, O. Vermorel, E. Riber, B. Cuenot)

In Lagrange simulations, the point-source approach is based on a ponctual approximation of the particule and requires this last to be smaller than the mesh. The very fine meshes required to represent the Eulerian phase of Euler-Lagrange two-phase flow simulations can lead to a non-validity of the point-source hypothesis. This project aimed at implementing, in the AVBP solver, the simultaneous management and coupling of several simulations. During this week, the Eulerian and Lagrangian phase were successfuly computed on two different meshes and coupled via the CWIPI library. The good behaviour of this framework was assessed on a 1D Evaporation of kerosene droplets in an air stream test case. Encouraging preliminary performance results were obtained on a 3D injection case and require further work.

• Sub-project 4: Devolatilization modelling for biomass combustion (K. Bioche, L. Bricteux)

Biomass combustion simulations require the modelling of numerous physical phenomena: particle drying, devolatilization, gas-phase combustion, chars oxidation. Besides, the valorisation chains for biomass include fluidized bed reactors, fixed bed reactors and pulverized fuel burners. The Granular Flow Solver of YALES2 offers a good framework for the simulation of fluidized bed reactors and is functionnaly coupled with the reactive gas-phase solver of the same code. This week permitted to partically implement the modelling of devolatilization in this solver. A single-step kinetic scheme is considered for the particle mass evolution equation while the particle diameter evolves during the process. Further work is necessary to account for the thermal and mass couplings with the fluid phase.

• Sub-project 5: Thickened-Flame LES model in a Lattice-Boltzmann Method framework (P. Boivin, S. Zhao, M. Le Boursicaud)

The TFLES framework of the hybrid Lattice-Boltzmann sover ProLB was extended to account for recent sensor methods. During this week, a smooth flame sensor based on the curvature of the norm of the advancement variable gradient was developped. Also for filtering operations, the lattice requires to access data over three neighboring layers. A precise and continuous thickening factor was obtained with such method.

• Sub-project 6: NOx modeling applied to KIAI combustion chamber (J. Obando, P. Bénard, V. Moureau)

This project treated of the implementation of NOx modeling into simulations of the KIAI combustion chamber, experimentaly studied at CORIA lab. During this week, various NOx modeling strategies were listed. Associated kinetic mechanisms, among which analytical chemisty, were employed for 1D flame simulations in YALES2 solver. Further work include the use of such methods on the 3D computational case.

Multi-phase flows - M. Cailler, SAFRAN TECH

• Sub-project 1: Hybrid E-E/E-L two-phase flow method (M. Cailler, F. Pecquery, I. El Yamani, V. Moureau)

The High-Fidelity approach based on ACLS & DMA allows a reliable description of interface dynamics. For design exploration, low-CPU methods with controlled level of fidelity are required. An interesting approach to reduce CPU cost relies on an hybrid approach based on an Eulerian representation of the gas & and a Lagrangian description for the liquid. Objective of the ECFD5 was to explore the capability to reconstruct the interface normal on the Eulerian grid. A level-set based strategy relying on Geometric Multiple Markers Projection (Janodet et al., 2022) has been first tested showing good capabilities providing that the iso-surface distance equal 0 is captured. An alternative strategy based on the liquid volume fraction has been tested.

• Sub-project 3: Convergence of the interface curvature computation (G. Ghigliotti, J. Carmona, G. Balarac, G. Lartigue)

The computation of interface curvature in a level-set framework is based on the classic formula as divergence of the gradient of the levelset function. This function being computed at 2nd order, one obtains a O(0) curvature, meaning that the error does not decrease with mesh refinement. We have implemented in YALES2 a strategy proposed by Emmanuel Maître and collaborators in a finite element method based on the regularization (filtering) of the level-set gradient and curvature. This strategy has been tested for the simple test case of a static circular interface. We used two types of filters (simple gather-scatter or bilaplacian as developed by Lola Guedot (PhD thesis 2015)) on different mesh types (split quadrilaterals, isotropic triangular mesh, unstructured triangular mesh). The results are encouraging since a O(1) convergence is obtained in all cases. Further work is needed to tune the filter properties (amplitude and size) for different spatial resolutions and levelset "narrow band" width.

• Sub-project 4: Conservative two-fluid momentum transport (F. Pecquery, C. Merlin, M. Cailler, J. Carmona, V. Moureau)

Turbulent flows - P. Bénard, CORIA

• Sub-project 1: Optimization of the actuator set for several wind turbines in YALES2 (F. Houtin Mongrolle, S. Gremmo, E. Muller & B. Duboc)

• Sub-project 2: Thermal effect in an atmospheric solver (U. Vigny, L. Voivenel, S. Zeoli, P. Benard)

Given the current environmental and energy challenges, maximising the wind farm electricity production is essential. Therefore, it becomes necessary to develop the most reliable and accurate prediction and simulation tools. Following this tenet, an atmospheric solver, which will take into account meteorological phenomena, should be developed. The preliminary work, going from bibliography study to road map was performed during the extreme cod workshop. Thus five parts have been identified:\\ - The YALES2 Variable Density Solver (VDS) will be used because of the need to take into account buoyancy effect including for big density differences. - A wall law correction term, relative to atmospheric boundary layer will be added. - The actuator line method used to simulate wind turbine will be extended to VDS, modifying the velocity source term to a momentum source term. - The Coriolis effects, depending on the latitude will be implemented. - The wall heat flux, allowing to simulate diurnal and nocturnal cycles on various terrains, is more realistic than a target wall temperature. Thus, it will be implemented for both velocity and scalar wall law.

• Sub-project 5: TBLE wall model for LES with pressure gradient on a simple turbomachinery geometry (M. Cizeron, N. Odier, R. Vicquelin)

Wall modeling is often used in LES to alleviate the computational cost that would be required to resolve all the length scales up to the solid boundaries of the domain. The classical way of doing it is by using an algebraic model to provide the wall friction and heat flux, with a coupling to the LES solver at the first off-wall nodes. The wall model was designed from analyzing RANS equation with strong assumptions such as planar flow, equilibrium and no pressure gradient. These assumptions are often far from true in real applications, such as turbomachinery applications, where the use of a wall model is mandatory due to the size of the calculation. During this workshop, a wall model relying on the resolution of the Thin Boundary Layer Equations (TBLE) was studied, which had been implemented by EM2C. The addition of a pressure gradient to these equations has been conducted and tested, at first only for the 1D wall model solver, then on a 3D turbulent channel. It remains to be tested on a diffuser configuration with a real pressure gradient to quantify the effect of the new wall model. The influence of the point considered to do the coupling between the LES and the wall model (ie. its distance to the wall) has also been tested both for the TBLE and the original algebraic model, showing that coupling farther from the wall yields better results and reduces the so-called log-layer mismatch.

• Sub-project 6: Tools for rough wall modelling (A. Barge, S. Meynet)

Hackathon - G. Staffelbach, CERFACS

• Participants: I. d'Ast, J. Legaux, G. Staffelbach, P. Begou, G. Lartigue, V. Moureau, A. Toure, C. Laurie, S. Delamare, C. Andrieu, C. Jourdain

AMD GPU hardware is still relatively unknown in our CFD community. This hackathon was the opportunity to deep dive into the AMD dev environment to prepare the arrival of AdAstra at CINES. Both YALES and AVBP have been ported to the AOMP framework using ROCm 4.5 on the GRID5000 Neowise system. CPU execution posed no issues and we were able to focus on GPU Offloading using OpenMP. On the YALES2 side, a mini-app encompassing the typical YALES2 structure hierarchy and loop execution was extracted from the code to evaluate different porting strategies and on the AVBP side the current OpenACC GPU offloading was translated to OpenMP focusing on the viscosity computation kernel. We learnt that the current supported standard of OpenMP in ROCm 4.5 does not allow for direct offloading of reference values inside an derived type structure but is was possible to use aliases such as pointers or flat array copies to do the job. This should be solved with the support of OpenMP 5.0 Another troublesome issues, was the lack of support for offloading of array vector operations (ex : array(:) = 1.0 ) rendering the explicitation of the loops for these manadatory.

Some bugs remain and it is encouraged to use the latest compiler version when working on the porting ( the release of flang 14.0.1 saved us a lot of time as we had started with 14.0.0 ). Offloading of the miniapp of YALES2 yielded a times 60 acceleration of the kernel whereas the offloading of the viscosity model in a full avbp simulation yielded an 7 times factor in performance when comparing on core to one GPU. These results are to be taken with a grain of salt but are really encouraging.

For the next steps, a porting strategy for both codes will be implemented (depending on the OpenMP 5 support ) and discussions are underway with CINES and other partners so as to offer the best experience to both code's communities on AdAstra at its release.