Installing lammps with plummed

[alexander...@epfl.ch]

Hello all,

I have problems to install plumed with lammps. I tried two different approaches

1. Follow lammps src/USER-PLUMED/README

Input:

make lib-plumed args="-b"

Output:

Install script for lib plumed does not exist

As far as I understood lammps is looking for an Install.py file in the lib/plumed directory and there is no. Also try to build lib/plumed/ by myself (also tried to move it lib/plumed/plumed2) but this did not help.

2. Use plumed patch https://www.plumed.org/doc-v2.7/user-doc/html/_installation.html

Input

plumed patch -p

Output:

PLUMED patching tool

1) gromacs-2019.6   4) gromacs-4.5.7 7) namd-2.14

2) gromacs-2020.5   5) namd-2.12 8) qespresso-5.0.2

3) gromacs-2021     6) namd-2.13 9) qespresso-6.2

Here I checked in plumed the patches directory and could not find anything resemble lammps.

Using the latest stable lammps version lammps-stable_3Mar2020 and plumed2 v2.7

Best

Alex

[Alexander Jan Goscinski]

I think I figured out my problem the Install.py is part of lammps and has been removed by me accidentally when I purged some other user package. The patch solution of is probably deprecated and not anymore recommended, since there are lammps patch files in plumed version v2.4, but not anymore in v2.5.

[Christopher Joo]

Hi Alex,

How did you fix this problem. I met the same issue, didn't find a slution.

Best

Xinping