MPI

Use MPI with FEASST.

Setup prerequisites:

  • sudo apt install openmpi-bin libopenmpi-dev

  • sudo dnf install openmpi-devel; module load mpi/openmpi-x86_64

  • sudo dnf install python3-devel python3.12-devel

  • pip install mpi4py

  • cmake -DUSE_MPI=ON ..

  • recompile FEASST

FEASST plugin dependencies

  • monte_carlo

API