PLUMED: PLUMED is starting PLUMED: Version: 2.6.0 (git: Unknown) compiled on Feb 13 2020 at 15:49:44 PLUMED: Please cite these papers when using PLUMED [1][2] PLUMED: For further information see the PLUMED web page at http://www.plumed.org PLUMED: Root: /home/akohlmey/compile/lammps/build-gcc/plumed_build-prefix/lib/plumed PLUMED: For installed feature, see /home/akohlmey/compile/lammps/build-gcc/plumed_build-prefix/lib/plumed/src/config/config.txt PLUMED: Molecular dynamics engine: LAMMPS PLUMED: Precision of reals: 8 PLUMED: Running over 4 nodes PLUMED: Number of threads: 1 PLUMED: Cache line size: 512 PLUMED: Number of atoms: 2004 PLUMED: File suffix: PLUMED: FILE: plumed.dat PLUMED: Action UNITS PLUMED: with label @0 PLUMED: length: A = 0.1 nm PLUMED: energy: kcal/mol = 4.184 kj/mol PLUMED: time: ps PLUMED: charge: e PLUMED: mass: amu PLUMED: using physical units PLUMED: inside PLUMED, Boltzmann constant is 0.0019872 PLUMED: Action DISTANCE PLUMED: with label dd PLUMED: between atoms 45 48 PLUMED: using periodic boundary conditions PLUMED: Action RESTRAINT PLUMED: with label @2 PLUMED: with arguments dd PLUMED: added component to this action: @2.bias PLUMED: at 6.000000 PLUMED: with harmonic force constant 2000.000000 PLUMED: and linear force constant 0.000000 PLUMED: added component to this action: @2.force2 PLUMED: Action PRINT PLUMED: with label @3 PLUMED: with stride 1 PLUMED: with arguments dd PLUMED: on file colvar PLUMED: with format %f PLUMED: END FILE: plumed.dat PLUMED: Timestep: 0.002000 PLUMED: KbT has not been set by the MD engine PLUMED: It should be set by hand where needed PLUMED: Relevant bibliography: PLUMED: [1] The PLUMED consortium, Nat. Methods 16, 670 (2019) PLUMED: [2] Tribello, Bonomi, Branduardi, Camilloni, and Bussi, Comput. Phys. Commun. 185, 604 (2014) PLUMED: Please read and cite where appropriate! PLUMED: Finished setup PLUMED: Cycles Total Average Minimum Maximum PLUMED: 1 0.010018 0.010018 0.010018 0.010018 PLUMED: 1 Prepare dependencies 102 0.000241 0.000002 0.000001 0.000003 PLUMED: 2 Sharing data 102 0.002132 0.000021 0.000006 0.000151 PLUMED: 3 Waiting for data 102 0.001640 0.000016 0.000008 0.000067 PLUMED: 4 Calculating (forward loop) 102 0.000825 0.000008 0.000005 0.000013 PLUMED: 5 Applying (backward loop) 102 0.000522 0.000005 0.000002 0.000015 PLUMED: 6 Update 102 0.001755 0.000017 0.000011 0.000067