PLUMED: PLUMED is starting
PLUMED: Version: 2.11.0-dev (git: a740f19-dirty) compiled on Aug 23 2026 at 15:27:33
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/runner/opt/lib/plumed
PLUMED: LibraryPath: /home/runner/opt/lib/libplumedKernel.so
PLUMED: For installed feature, see /home/runner/opt/lib/plumed/src/config/config.txt
PLUMED: Molecular dynamics engine: driver
PLUMED: Precision of reals: 8
PLUMED: Running over 1 node
PLUMED: Number of threads: 2
PLUMED: Cache line size: 512
PLUMED: Number of atoms: 100000
PLUMED: File suffix: 
PLUMED: Timestep: 1.000000
PLUMED: KbT: 2.490000
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: Action UNITS
PLUMED:   with label @0
PLUMED:   length: A = 0.1 nm
PLUMED:   energy: kj/mol
PLUMED:   time: ps
PLUMED:   charge: e
PLUMED:   mass: amu
PLUMED:   using physical units
PLUMED:   inside PLUMED, Boltzmann constant is 0.00831446
PLUMED: Action GROUP
PLUMED:   with label WaterO
PLUMED:   list of atoms:
PLUMED:  1 2 3 4
PLUMED: Action GROUP
PLUMED:   with label WaterH
PLUMED:   list of atoms:
PLUMED:  5 6 7 8 9 10 11 12
PLUMED: Action VORONOI_COORDINATION
PLUMED:   with label ionization
PLUMED:   VORONOI_COORDINATION assigns 8 atoms over 4 centers with kappa 5
PLUMED:   reducing 4 selected centers with POWER=2 SIGN=ALL
PLUMED: Action OPES_METAD
PLUMED:   with label opes
PLUMED:   with arguments : 
PLUMED:    scalar with label ionization 
PLUMED:   added component to this action: opes.bias 
PLUMED: WARNING for action OPES_METAD with label opes : using TEMP=300 while MD engine uses 299.478
PLUMED:  
PLUMED:   added component to this action: opes.rct 
PLUMED:   added component to this action: opes.zed 
PLUMED:   added component to this action: opes.neff 
PLUMED:   added component to this action: opes.nker 
PLUMED:   temperature = 300
PLUMED:   beta = 0.400908
PLUMED:   depositing new kernels with PACE = 500
PLUMED:   expected BARRIER is 40
PLUMED:   using target distribution with BIASFACTOR gamma = 16.0363
PLUMED:   adaptive SIGMA will be used, with ADAPTIVE_SIGMA_STRIDE = 5000
PLUMED:     thus the first x kernel depositions will be skipped, x = ADAPTIVE_SIGMA_STRIDE/PACE = 10
PLUMED:   kernels are truncated with KERNELS_CUTOFF = 5.84856
PLUMED:   the value at cutoff is = 3.73542e-08
PLUMED:   regularization EPSILON = 3.73542e-08
PLUMED:   kernels will be compressed when closer than COMPRESSION_THRESHOLD = 1
PLUMED:   using multiple OpenMP threads per simulation: 2
PLUMED:   Bibliography: [3][4]
PLUMED: Action PRINT
PLUMED:   with label @5
PLUMED:   with stride 10
PLUMED:   with arguments : 
PLUMED:    scalar with label ionization 
PLUMED:    scalar with label opes.bias 
PLUMED:   on file COLVAR
PLUMED:   with format  %f
PLUMED:                                               Cycles        Total      Average      Minimum      Maximum
PLUMED:                                                    1     0.010985     0.010985     0.010985     0.010985
