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About exaStamp

Project summary

exaStamp is a high performance molecular dynamics simulation code, originated at CEA/DAM. exaStamp stands for Simulations Temporelles Atomistiques et Moléculaires Parallèles à l'exascale (in French) or exascale Simulations of Time-dependent Atomistic and Molecular systems in Parallel (in English). This software is distributed under the Apache 2.0 public license.

exaStamp depends on the exaNBody framework and is designed to run efficiently on supercomputers as well as laptops or workstations. It takes advantage of hybrid parallelism with the ability to run using MPI + X where X is either OpenMP or Cuda/HIP. This code is the result of a long-time effort at CEA/DAM/DIF, France. It is an open-source code, distributed freely under the terms of the Apache Public License version 2.0.

Contributors

  • Development team

    • Paul Lafourcade
    • Thierry Carrard
    • Raphaël Prat
    • Emmanuel Cieren
    • Estelle Dirand

  • Scientific team

    • Laurent Soulard
    • Claire Lemarchand
    • Nicolas Pineau
    • Jean-Bernard Maillet
    • Christophe Denoual

  • Students

    • Guillaume Ewald
    • Eleonore Duval
    • Eliott Dubois
    • Killian Babilotte
    • Aude Giard
    • Gerome Faure
    • Guillaume Chevrot

License

exaStamp is licensed under the Apache Apache License, Version 2.0 (Apache-2.0).

See LICENSE for details.

Contact

Use the Github discussions to suggest new features, discuss ideas, check announcements or show what you're doing with the code.

In addition, if you identify a malfunction or a bug, please feel free to open an issue or discussion on Github.