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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
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