PLUMED: PLUMED is starting
PLUMED: Version: 2.11.0-dev (git: 1e03000) compiled on Oct 20 2026 at 09:24:22
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: GROMACS-like replica exchange is on
PLUMED: File suffix: .0
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 DISTANCE
PLUMED:   with label d
PLUMED:   between atoms 1 2
PLUMED:   without periodic boundary conditions
PLUMED:   added component to this action: d.x 
PLUMED:   added component to this action: d.y 
PLUMED:   added component to this action: d.z 
PLUMED:   WARNING: components will not have the proper periodicity - see manual
PLUMED: Action ENSEMBLE
PLUMED:   with label mean
PLUMED:   with arguments : 
PLUMED:    scalar with label d.x 
PLUMED:   added component to this action: mean.d.x 
PLUMED:   averaging over 2 replicas.
PLUMED: Action CUSTOM
PLUMED:   with label c
PLUMED:   with arguments : 
PLUMED:    scalar with label mean.d.x 
PLUMED:   with function : x*x
PLUMED:   with variables : x
PLUMED:   function as parsed by lepton: square(x)
PLUMED:   derivatives as computed by lepton:
PLUMED:     (x)+(x)
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action CUSTOM
PLUMED:   with label h
PLUMED:   with arguments : 
PLUMED:    scalar with label d.x 
PLUMED:   with function : exp(-x*x/2)
PLUMED:   with variables : x
PLUMED:   function as parsed by lepton: exp(-0.5*(square(x)))
PLUMED:   derivatives as computed by lepton:
PLUMED:     (exp(-0.5*(square(x))))*(0.5*((-1*(x))-(x)))
PLUMED: Action ENSEMBLE
PLUMED:   with label fraction
PLUMED:   with arguments : 
PLUMED:    scalar with label h 
PLUMED:   added component to this action: fraction.h 
PLUMED:   averaging over 2 replicas.
PLUMED: Action CUSTOM
PLUMED:   with label loga
PLUMED:   with arguments : 
PLUMED:    scalar with label fraction.h 
PLUMED:   with function : log(0.1+x)
PLUMED:   with variables : x
PLUMED:   function as parsed by lepton: log(0.1+(x))
PLUMED:   derivatives as computed by lepton:
PLUMED:     recip(0.1+(x))
PLUMED: Action CUSTOM
PLUMED:   with label logm
PLUMED:   with arguments : 
PLUMED:    scalar with label c 
PLUMED:   with function : -1+0.2*x
PLUMED:   with variables : x
PLUMED:   function as parsed by lepton: -1+(0.2*(x))
PLUMED:   derivatives as computed by lepton:
PLUMED:     0.2
PLUMED: PLUMED is starting
PLUMED: Version: 2.11.0-dev (git: 1e03000) compiled on Oct 20 2026 at 09:24:22
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: Action CONDITIONAL_PATH
PLUMED:   with label ratio
PLUMED:   with arguments : 
PLUMED:    scalar with label c 
PLUMED:    scalar with label loga 
PLUMED:    scalar with label logm 
PLUMED:   fixed conditional path mixture with coupling 0.5 in [0,4]
PLUMED: Action CUSTOM
PLUMED:   with label correction
PLUMED:   with arguments : 
PLUMED:    scalar with label ratio 
PLUMED:   with function : -2.5*x
PLUMED:   with variables : x
PLUMED:   function as parsed by lepton: -2.5*(x)
PLUMED:   derivatives as computed by lepton:
PLUMED:     -2.5
PLUMED:   not calculating when all arguments are zero 
PLUMED: LibraryPath: /home/runner/opt/lib/libplumedKernel.so
PLUMED: For installed feature, see /home/runner/opt/lib/plumed/src/config/config.txt
PLUMED: Action BIASVALUE
PLUMED:   with label bias
PLUMED:   with arguments : 
PLUMED:    scalar with label correction 
PLUMED:   added component to this action: bias.bias 
PLUMED:   added component to this action: bias.correction_bias 
PLUMED: Molecular dynamics engine: driver
PLUMED: Action PRINT
PLUMED:   with label @16
PLUMED:   with stride 1
PLUMED:   with arguments : 
PLUMED:    scalar with label c 
PLUMED:    scalar with label loga 
PLUMED:    scalar with label logm 
PLUMED:    scalar with label ratio 
PLUMED:    scalar with label bias.bias 
PLUMED:    scalar with label bias.correction_bias 
PLUMED: Precision of reals: 8
PLUMED:   on file COLVAR
PLUMED: Running over 1 node
PLUMED:   with format  %f
PLUMED: Number of threads: 2
PLUMED: Cache line size: 512
PLUMED: Number of atoms: 100000
PLUMED: GROMACS-like replica exchange is on
PLUMED: File suffix: .1
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 DISTANCE
PLUMED:   with label d
PLUMED:   between atoms 1 2
PLUMED:   without periodic boundary conditions
PLUMED:   added component to this action: d.x 
PLUMED:   added component to this action: d.y 
PLUMED:   added component to this action: d.z 
PLUMED:   WARNING: components will not have the proper periodicity - see manual
PLUMED: Action ENSEMBLE
PLUMED:   with label mean
PLUMED:   with arguments : 
PLUMED:    scalar with label d.x 
PLUMED:   added component to this action: mean.d.x 
PLUMED:   averaging over 2 replicas.
PLUMED: Action CUSTOM
PLUMED:   with label c
PLUMED:   with arguments : 
PLUMED:    scalar with label mean.d.x 
PLUMED:   with function : x*x
PLUMED:   with variables : x
PLUMED:   function as parsed by lepton: square(x)
PLUMED:   derivatives as computed by lepton:
PLUMED:                                               Cycles        Total      Average      Minimum      Maximum
PLUMED:                                                    1     0.015416     0.015416     0.015416     0.015416
PLUMED:     (x)+(x)
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action CUSTOM
PLUMED:   with label h
PLUMED:   with arguments : 
PLUMED:    scalar with label d.x 
PLUMED:   with function : exp(-x*x/2)
PLUMED:   with variables : x
PLUMED:   function as parsed by lepton: exp(-0.5*(square(x)))
PLUMED:   derivatives as computed by lepton:
PLUMED:     (exp(-0.5*(square(x))))*(0.5*((-1*(x))-(x)))
PLUMED: Action ENSEMBLE
PLUMED:   with label fraction
PLUMED:   with arguments : 
PLUMED:    scalar with label h 
PLUMED:   added component to this action: fraction.h 
PLUMED:   averaging over 2 replicas.
PLUMED: Action CUSTOM
PLUMED:   with label loga
PLUMED:   with arguments : 
PLUMED:    scalar with label fraction.h 
PLUMED:   with function : log(0.1+x)
PLUMED:   with variables : x
PLUMED:   function as parsed by lepton: log(0.1+(x))
PLUMED:   derivatives as computed by lepton:
PLUMED:     recip(0.1+(x))
PLUMED: Action CUSTOM
PLUMED:   with label logm
PLUMED:   with arguments : 
PLUMED:    scalar with label c 
PLUMED:   with function : -1+0.2*x
PLUMED:   with variables : x
PLUMED:   function as parsed by lepton: -1+(0.2*(x))
PLUMED:   derivatives as computed by lepton:
PLUMED:     0.2
PLUMED: Action CONDITIONAL_PATH
PLUMED:   with label ratio
PLUMED:   with arguments : 
PLUMED:    scalar with label c 
PLUMED:    scalar with label loga 
PLUMED:    scalar with label logm 
PLUMED:   fixed conditional path mixture with coupling 0.5 in [0,4]
PLUMED: Action CUSTOM
PLUMED:   with label correction
PLUMED:   with arguments : 
PLUMED:    scalar with label ratio 
PLUMED:   with function : -2.5*x
PLUMED:   with variables : x
PLUMED:   function as parsed by lepton: -2.5*(x)
PLUMED:   derivatives as computed by lepton:
PLUMED:     -2.5
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action BIASVALUE
PLUMED:   with label bias
PLUMED:   with arguments : 
PLUMED:    scalar with label correction 
PLUMED:   added component to this action: bias.bias 
PLUMED:   added component to this action: bias.correction_bias 
PLUMED: Action PRINT
PLUMED:   with label @16
PLUMED:   with stride 1
PLUMED:   with arguments : 
PLUMED:    scalar with label c 
PLUMED:    scalar with label loga 
PLUMED:    scalar with label logm 
PLUMED:    scalar with label ratio 
PLUMED:    scalar with label bias.bias 
PLUMED:    scalar with label bias.correction_bias 
PLUMED:   on file COLVAR
PLUMED:   with format  %f
PLUMED:                                               Cycles        Total      Average      Minimum      Maximum
PLUMED:                                                    1     0.019642     0.019642     0.019642     0.019642
