Autotuning for ultra-high performance computing with partitioned coupling

Taking into account multiple and coupled physics is at the heart of many application needs in fields as varied as, but not limited to, aeronautics, defense and biology. This is also strong area of expertise for CEA's Energy Division, with multiple domains including fluid-structure interaction, neutronics coupled with thermal-hydraulics a/o thermal-mechanics or severe accident modeling. The emergence of exascale architectures opens the way to promising new levels of high-fidelity simulations, but is also significantly increasing the complexity of many software applications in terms of total or partial rewriting. It therefore specifically encourages coupling to limit development work. The idea is to search for each physics of interest in a necessarily reduced number of highly optimized software components, rather than making specific, possibly redundant developments in standalone applications.
Once the coupled multiphysics problem has been written with the expected levels of accurracy and stability, the proposed work concentrates on the resolution algorithms to enable the coupling between applications asssumed to be themselves exascale-compatible, to be solved efficiently at exascale. It is also worth noting that, in general, the couplings under consideration can present a high level of complexity, involving numerous physics with different level of feedback between them and various communications from border exchanges to overlaping domains. The current post-doctoral internship to be carried out in the framework of the ExaMA collaborative project, is in particular dedicated to the identification and dynamic tuning of the relevant numerical parameters arising from the coupling algorithms and impacting the computational efficiency of the global simulation. Considered problems are in the general case time-evolving problems, with a significant number of time iterations allowing using the first iterations to gather data and conduct the tuning.

Implementation and study of compressible multiphase models and numerical schemes

The proposed post-doctoral research concerns the safety of new-generation nuclear reactors, with a more general focus on understanding and simulating the consequences of energy transients in the post-accident regime. It consists of implementing and studying models and numerical schemes for compressible multiphase flows of increasing complexity in a C++ code.
The code called SCONE and developed at LMAG should allow the simulation of the interaction between corium (molten reactor core with surrounding structures) and sodium.
The complexity of the phenomena involved imposes strong modeling and resolution constraints. Currently, a compressible model with N phases in pressure equilibrium is operational with a semi-conservative resolution on a staggered grid. This numerical scheme is not completely satisfactory for strong shocks. One solution is to rely on recognized schemes for these cases such as collocated schemes like Godunov type ones. The first step of the post doctorate is to develop this approach for a simple model. Ultimately, the targeted model is a multiphasic model fully out of equilibrium. Depending on the progress of the work, the adaptation of schemes on staggered grids to this model will be possible by taking as reference the results of the previously validated collocated schemes.
Overally this post-doctoral position will allow the study of numerical schemes and multiphase models in a complex N-phase Framework and more generally to develop/consolidate expertise in transient numerical methods for complex systems.

detection of multiplets and application to turkey-Syria seismic crisis of february 2023

The correlation technique, or template matching, applied to the detection and analysis of seismic events has demonstrated its performance and usefulness in the processing chain of the CEA/DAM National Data Center. Unfortunately, this method suffers from limitations which limit its effectiveness and its use in the operational environment, linked on the one hand to the computational cost of massive data processing, and on the other hand to the rate of false detections that could generate low-level processing. The use of denoising methods upstream of processing (example: deepDenoiser, by Zhu et al., 2020), could also increase the number of erroneous detections. The first part of the research project consists of providing a methodology aimed at improving the processing time performance of the multiplets detector, in particular by using information indexing techniques developed in collaboration with LIPADE (L-MESSI method , Botao Peng, Panagiota Fatourou, Themis Palpanas. Fast Data Series Indexing for In-Memory Data. International Journal on Very Large Data Bases (VLDBJ) 2021). The second part of the project concerns the development of an auto-encoder type “filtering” tool for false detections built using machine learning. The Syria-Turkey seismic crisis of February 2023, dominated by two earthquakes of magnitude greater than 7.0, will serve as a learning database for this study.

Modeling of charge noise in spin qubits

Thanks to strong partnerships between several research institutes, Grenoble is a pioneer in the development of future technologies based on spin qubits using manufacturing processes identical to those used in the silicon microelectronics industry. The spin of a qubit is often manipulated with alternating electrical (AC) signals through various spin-orbit coupling (SOC) mechanisms that couple it to electric fields. This also makes it sensitive to fluctuations in the qubit's electrical environment, which can lead to large qubit-to-qubit variability and charge noise. The charge noise in the spin qubit devices potentially comes from charging/discharging events within amorphous and defective materials (SiO2, Si3N4, etc.) and device interfaces. The objective of this postdoc is to improve the understanding of charge noise in spin qubit devices through simulations at different scales. This research work will be carried out using an ab initio type method and also through the use of the TB_Sim code, developed within the CEA-IRIG institute. This last one is able of describing very realistic qubit structures using strong atomic and multi-band k.p binding models.

Design of a high-energy phase contrast radiography chain

As part of hydrodynamic experiments carried out at CEA-DAM, the laboratory is seeking, using pulsed X-ray imaging, to radiograph thick objects (several tens of mm), made of low-density materials (around 1 g/cm3), inside which shock waves propagate at very high speeds (several thousand m/s). For this type of application, it is necessary to use energetic X-ray sources (beyond 100 keV). Conventional X-ray imaging, which provides contrast due to variations in absorption cross sections, proves insufficient to capture the small density variations expected during the passage of the shock wave. A theoretical study recently carried out in the laboratory showed that the complementary exploitation of the information contained in the X-ray phase should enable better detectability. The aim of the post-doctorate is to provide experimental proof of concept for this theoretical study. For greater ease of implementation, the work will mainly focus on the dimensioning of a static X-ray chain, where the target is stationary and the source emits continuous X-ray radiation. Firstly, the candidate will have to characterize in detail the spectrum of the selected X-ray source as well as the response of the associated detector. In a second step, he (she) will design and have manufactured interference gratings adapted to high-energy phase measurements, as well as a representative model of the future moving objects to be characterized. Finally, the student will carry out radiographic measurements and compare them with predictive simulations. The student should have a good knowledge of radiation-matter interaction and/or physical and geometric optics. Proficiency in object-oriented programming and/or the Python and C++ languages would be a plus.

Optimization of a metrological approach to radionuclide identification based on spectral unmixing

The Laboratoire national Henri Becquerel (LNE-LNHB) at CEA/Saclay is the laboratory responsible for French references in the field of ionizing radiations. For several years now, it has been involved in the development of an automatic analysis tool for low-statistics gamma spectra, based on the spectral unmixing technique. This approach makes it possible to respond to metrological constraints such as robust decision-making and unbiased estimation of counts associated with identified radionuclides. To extend this technique to field measurements, and in particular to the deformation of spectra due to interactions in the environment of a radioactive source, a hybrid spectral unmixing model combining statistical and automatic learning methods is currently being developed. The aim of this mathematical solution is to implement a joint estimation of the spectra measured and the counts associated with the radionuclides identified. The next step will be to quantify the uncertainties of the quantities estimated from the hybrid model. The aim is also to investigate the technique of spectral unmixing in the case of neutron detection with a NaIL detector. The future candidate will contribute to these various studies in collaboration with the Laboratoire d'ingénierie logicielle pour les applications scientifiques (CEA/DRF).

Development of Algorithms for the Detection and Quantification of Biomarkers from Voltammograms

The objective of the post-doctoral research is to develop a high-performance algorithmic and software solution for the detection and quantification of biomarkers of interest from voltammograms. These voltammograms are one-dimensional signals obtained from innovative electrochemical sensors. The study will be carried out in close collaboration with another laboratory at CEA-LIST, the LIST/DIN/SIMRI/LCIM, which will provide dedicated and innovative electrochemical sensors, as well as with the start-up USENSE, which is developing a medical device for measuring multiple biomarkers in urine.

Earthquake effect on underground facilities

The Industrial Centre for Geological Disposal (Cigeo) is a project for a deep geological disposal facility for radioactive waste to be built in France. These wastes will be put in sealed packages in tunnels designed at 500 meters depth. The seals are made of a bentonite/sand mixture which has a high swelling capacity and a low water permeability. As a part of the long-term safety demonstration of the repository, it must be demonstrated that the sealing structures can fulfill their functions under seismic loads over their entire lifetime. In order to guarantee this future nuclear waste repository, CEA and Andra are collaborating to work on the potential scientific and engineering challenges involved.
The responses of underground repository to earthquake events are complex due to the spatially and temporally evolving hydro-mechanical properties of the surrounding media and the structure itself. Accurate modeling of the behavior, therefore, requires a coupled multiphysics numerical code to efficiently model the seismic responses for these underground repositories within their estimated lifespan of 100 thousand years.
The research will therefore, propose a performance assessment for sequential and parallel finite element numerical modeling for earthquake analysis of deep underground facilities. Then perform a synthetic data sampling to account for material uncertainties and based on the obtained results in the previous assessment, run a sensitivity analysis using a FEM or a metamodeling process. Finally, the results and knowledge gained within the span of this project will be processed and interpreted to provide responses for industrial needs.

Design and validation of innovative neutron calculation schemes for nuclear reactor cores without soluble boron

ACCELERATING a DSN SWEEP KERNEL ALGORITHM FOR NEUTRONICS BY PORTING ON GPU.

In the framework of the Programmes Transversaux de Compétences (PTC or literally Cross-XXX Programme), the DES/ISAS/DM2S/SERMA/LLPR and the CEA-DIF are both working on the porting of deterministic neutron transport codes on GPU.

The DM2S within the Energies Direction (DES) is responsible for research and development activities on the numerical methods and codes for reactor physics, amongst which the APOLLO3® code. The neutronics laboratory of CEA-DIF is responsible for developing tools for deterministic methods in neutronics for the Simulation programme.

These two laboratories are actively preparing for the advent of new generation of supercomputers where GPU (Graphical Processing Units) will be predominant. Indeed, the underlying numerical problems to be solved along with the working methodology as well as the conclusions and experience which will be obtained from such studies may be rationalised between both laboratories. Thus, this work has given rise to this postdoctoral position which will be common to both teams. The postdoctoral researcher will be formally based at SERMA at CEA Saclay, with nevertheless regular meetings with the CEA-DIF scientists.

The postdoctoral research work is to study the acceleration of a toy model of a 3D discrete ordinates diamond-differencing sweep kernel (DSN) by porting the code on GPU. This work hinges on porting experiments which have previously been carried by both teams following two different approaches: a ‘’high-level’’ one based on the Kokkos framework for DES and a ‘’low-level’’ approach based on Cuda for CEA-DIF.

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