install_lammps_mpi.txt

#Open the hpc node
1. Check this site to learn how to connect with the node https://help.itc.rwth-aachen.de/en/service/rhr4fjjutttf/article/598d0f7f78cb4ab8b81af1b3f68ba831/

2. Use wget to download the tarball from lammps stable release (at the time of this document, 2Aug2023)

3. Extract it like u usually do and follow the manual of installing, starting by extracting the tarball

4. Load these following modules
# u are already in ~/lammps-11Aug17/src
module load gcc
module load OpenMPI
module load CMake
module load Python/3.10

7. Follow lammps instruction. cd src and  
8. make yes-reaxff
9. make yes-molecule # I assume that this is for applying the electric field but I'm not 100% sure
10. make mode=shared mpi
11. make install-python
12. Open python and check if lammps is there by trying to use "import lammps" "lmp = lammps.lammps()"