Install Request: LAMMPS-MACE-PLUMED #610
Description
In general, there are 2 main routes you can get when installing this system (LAMMPS-PLUMED-MACE). The present one (ML-IAP) offers improved performance on GPUs. The link I provide describes the installation process step-by-step.
Application: LAMMPS any recent stable version that can do for mace package and plumed plugin
Link: https://mace-docs.readthedocs.io/en/latest/guide/lammps_mliap.html
Cluster: Young
Description: does molecular dynamics simulations using MACE as force field source, but also, metadynamics using plumed plugin in GPU
License: It can be found on GitHub. It is open source and a well-known code.