Plasma physics

Main code : GYSELA-X++

Contact point : Thomas PADIOLEAU

We are providing consulting and support by developing a reusable library of domain-specific gyrokinetic operators to address diverse simulation needs, leveraging modern C++ for robust, maintainable code. By utilizing advanced libraries like Kokkos, DDC, and PDI, we are ensuring modular design and clear separation of concerns. We are also working on integrating Python to enable seamless in-situ data analysis. Additionally, we are implementing flexible packaging solutions to support environments ranging from laptops to supercomputers. Finally, we are actively conducting performance analysis and optimization to enhance application efficiency.

Physical chemistry

Main code : deMon2k

Contact point : Karim HASNAOUI

deMon2K is a software package for density functional theory (DFT) calculations. In partnership with the TheoSim group at ICP Orsay, the Maison de la Simulation provides support for the deMon2k code, focusing on debugging, optimization, parallelization, and GPU implementation. The main objectives include improving efficiency and scalability, as well as implementing the code on GPU architecture. The main results showed better efficiency and scalability by using MPI, OpenMP, and the ScaLAPACK library, as well as a successful multi-GPU implementation using MPI, CUDA/HIP, and the MAGMA library. Furthermore, an OpenACC implementation for the Kohn-Sham matrix is currently in progress.

Light/matter interaction

Main code : Smilei

Contact point : Charles PROUVEUR

Smilei is a Particle-In-Cell code for plasma simulation developed in C++ and based on an object-oriented architecture. Open-source, collaborative, user-friendly and designed for high performances on super-computers, it is applied to a wide range of physics studies: from relativistic laser-plasma interaction to astrophysics. It continuously includes more and more physics modules and geometries following the needs of the users community.  At MDLS, several research engineers developers dedicated to the core of the code make sure that it performs well on the newest HPC systems. The main focus at this moment consists in porting the different modules of SMILEI on GPU and making sure SMILEI is working on the most advanced supercomputers.

Material

Main code : AMITEX

Contact point : Yushan WANG

AMITEX_FFTP is a distributed solver based on FFTs for non-linear mechanical simulations on heterogeneous unit-cells (described by regular 3D images).  It is developed in Fortran and can be run either on individual PC, local clusters or on large High Performance Computing platforms to perform large scale simulations. The code combines massively parallel implementation with a versatile user interface. Two topics are investigated during the collaboration with MdlS :

• GPU porting of the mechanical behaviors;
• GPU porting of AMITEX_FFTP, with focus on the 3D FFT and with a pencil-like domain decomposition.