LAMMPS package not enabled

Hello, I am using the nvcr.io/hpc/lammps:29Oct2020 Docker container and ran into the following error when helping a user run their dataset:

ERROR: Unrecognized pair style 'meam/c' is part of the USER-MEAMC package which is not enabled in this LAMMPS binary. (src/force.cpp:279)

Is it possible to have this package enabled in the next update or help guide me on how to build my own Docker container with this package enabled?

Thank you!

Hi tahan,

Thanks for reaching out. USER-MEAMC package can be enabled by:

  1. Copying the Dockerfile found in /usr/src to a mounted directory
  2. Navigating to the LAMMPS RUN block on/near line 466
  3. Adding -DPKG_MEAMC=yes to the LAMMPS build flags
  4. Exiting the container and rebuilding using the Dockerfile just edited
    I hope this helps! We will investigate adding this package to future releases.

Thanks,

Jillian