ExaN-Body is a simulation code for N-Body problems. It contains three types of codes, exaStamp (Molecular Dynamics), exaSPH (Smoothed Particle Hydrodynamics) and exaDEM (Discrete Element Method) and a common layer to all three codes. It is parallelized using MPI, OpenMP and GPUs.
ExaStamp and is able to carry out simulations of several billions of atoms. It solves Newton’s equation of motion as follows:
$m_i \frac{d^2 r_i}{d t^2} = -\nabla_i E_p + f(r_i, t)$
where $m_i$ and $r_i$ are the mass and position of atom $i$ respectively, $E_p$ is the potential energy function which embeds all material properties at the atomic level and $f(r_i, t)$ is the external force on atom $i$.
ExaStamp is used to study mechanical properties and shock physics where microscopic behavior is crucial, in particular :
- Spalling
- Matter ejection (micro-spalling, micro-jetting)
- Phase transitions
- Plasticity
- Pore distribution
- Shocked polymers
Publications
- T. Carrard, R. Prat, G. Latu, K. Babilotte, P. Lafourcade, L. Amarsid, L. Soulard, ExaNBody: A HPC Framework for N-Body Applications, EURO-PAR 2023: PARALLEL PROCESSING WORKSHOPS, PT I, EURO-PAR 2023 14351, 342-354 (2024) DOI
- L. Soulard, T. Carrard, O. Durand, Molecular dynamics study of the impact of a solid drop on a solid target, J. Appl. Phys. 131, 135901 (2022) DOI
- PhD thesis of R. Prat, Equilibrage de charge sur supercalculateur exaflopique appliqué à la dynamique moléculaire (2019) DOI
- PhD thesis of E. Dirand, Développement d’un système in situ à base de tâches pour un code de dynamique moléculaire classique adaptés aux machines exaflopiques (2018) DOI
- PhD thesis of E. Cieren, Molecular dynamics for exascale computers (2015) DOI