Dear Users,
Am a little new to LAMMPS and i want to get started with it. Am trying to generate machine learned potentials (SNAP), Even though the source code is available on the nanohub website, i feel using it on my own pc or hcp would up the efficiency. So I wanted to download and install LAMMPS and use it as a module on python (preferably LAMMPS-3Mar2020 version).
Got so fed up with many wrong or misleading youtube videos or chatgpt, can anyone suggest a reliable and proper source that i can go through step by step installation clearly without errors.
Thanks in advance. Cheers.
The official LAMMPS distribution is available from either Download LAMMPS or Releases · lammps/lammps · GitHub
Do not trust any other location. The LAMMPS version may be outdated or modified.
We strongly discourage using such an old version. It outdated and has known issues. Specifically, since you are interested in machine learning, this is an area with rapid changes, and thus having the latest release version is a must to have all updates, bugfixes, and performance improvements.
Have you tried reading and following the instructions in the manual?
https://docs.lammps.org/Build.html
That is straightforward to do. Just configure/compile LAMMPS with support for having the LAMMPS library as a shared library and then type “make install-python”: 2.2. Installation — LAMMPS documentation
It is generally recommended to setup a python virtual environment first so that you can cleanly remove it.
Thanks mate. Will check it out.