Run abf with plumed in lammps

LAMMPS LAMMPS Installation
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1

Hello everyone,

I compiled lammps with the plumed by:
make lib-plumed args=“-b”
make yes-plumed

I can run the metadynamics successfully. But if I run the adaptive bias force method with the official instructions:PLUMED: DRR

I always met the error information: PLUMED: PLUMED is starting
PLUMED: Version: 2.9.1 (git: Unknown) compiled on Apr 24 2025 at 23:31:47
PLUMED: ERROR
PLUMED: I cannot understand line: DRR LABEL=eabf ARG=phi,psi FULLSAMPLES=500 GRID_MIN=-pi,-pi GRID_MAX=pi,pi GRID_BIN=180,180 FRICTION=8.0,8.0 TAU=0.5,0.5 OUTPUTFREQ=50000 HISTORYFREQ=500000
Is this because the plumed in lammps doesn’t support abf?
Thanks,
YW

2

You have posted in the wrong place in a twofold manner.

  1. You posted under “Materials Project” and not “LAMMPS Installation”. Just have a look at the other posts in this category. Are they about LAMMPS??
  2. You really have a question about Plumed and not LAMMPS, so you need to post in the Plumed forum not on MatSci.
3

Sorry for my mistakes. The majority materials of plumed are about gromacs. I am not quiet sure this problem is about lammps or plumed. The script can be successfully run in gromacs with plumed. So I think the installing lammps with plumed may have problems. Or the lammps doesn’t support the abf function in principle.

4

The LAMMPS interface to plumed is extremely lightweight and minimal and completely independent of the feature set used for compiling Plumed. If you compile plumed through the automatic process with LAMMPS, you are stuck with whatever is selected in that process.

The recommended way to setup Plumed with LAMMPS is to make a separate installation of Plumed and then point LAMMPS to the location of that installation. The automated procedure is primarily meant for integration and regression testing.