Well-Known Programs

The following table lists simulation programs which are well known at PC2 and don't require a scaling analysis in the detailed project description. Still, a description of the specific methods used is required in the application for computing time to enable a technical review.

Please note that this list is continuously extended and updated.

As of January 2024:

  • Chemistry/solid-state-physics/atomistic simulations:
    • CP2K
    • VASP
    • Quantum Espresso
    • Abinit
    • CP-PAW
    • Amber
    • Gromacs
    • GPAW
    • Dalton
    • ORCA
    • FHI-aims
    • Gamess
    • GAUSSIAN
    • LAMMPS
    • ls1 mardyn
    • ms2
    • Lumen
    • NAMD
    • NWChem
    • Octopus
    • Psi4
    • Salmon
    • Turbomole
    • Yambo
    • Fleur
  • Engineering
    • Abaqus
    • ANSYS CFX/Fluent
    • CST Microwave
    • Adams
    • Comsol
    • LS-Dyna
    • OpenFOAM
    • StarCCM
    • Abaqus
  • High-energy physics:
    • SIMULATeQCD
  • FPGA Development Tools
    • Vitis
    • Intel OneAPI FPGA Toolkit
    • OpenCL SDK for FPGAs
  • Machine Learning
    • PyTorch
    • Tensorflow/Keras
    • DeepSpeed
    • Jax