EMC Setup v4.1.5 (March 21, 2023), (c) 2004-2023 Pieter J. in 't Veld

Info: reading script from "./molecule.esh"
Info: phase1 = {TOL}
Info: project = molecule
Info: direction = x
Info: shape = 1
Info: force field type = "opls"
Info: force field name = "opls"
Info: force field location = "."
Info: build for LAMMPS script in "."
Info: creating LAMMPS run script "molecule.in"
Info: adding pressure sampling
Info: creating EMC build script "build.emc"
Info: executing '/opt/shared/apps/core/tools/emc/9.4.4/bin/emc_linux64'

(* EMC: Enhanced Monte Carlo simulations *)

version 9.4.4, build Jul 24 2023 10:41:59, date Fri Aug 25 16:53:13 2023

valid until Aug 1, 2024

Info: script v1.0 started at Fri Aug 25 16:53:13 2023
Info: variables = {seed -> -1, ntotal -> 10000, fshape -> 1, output ->
        "molecule", field -> "opls", location -> "./", nav -> 0.6022141179, 
        temperature -> 300, radius -> 5, nrelax -> 100, weight_nonbond ->
        0.0001, weight_bond -> 0.0001, weight_focus -> 1, cutoff -> 9.5, 
        charge_cutoff -> 9.5, kappa -> 4, density1 -> 0.1, lprevious -> 0, 
        lphase -> 0, f_TOL -> 1, chem_TOL -> "Cc1ccccc1"}
Info: output = 
      {detail -> 3, wide -> false, expand -> false, math -> true, reduced ->
        false, info -> true, strict -> true, warning -> true, message -> true,
        debug -> false, exit -> true, ignore -> false}
Info: field = {id -> opls, mode -> opls, style -> none, name -> {"./opls.prm",
        "./opls.top"}, compress -> false, error -> true, debug -> false, check
        -> {atomistic -> true, charge -> true}}
Info: importing './opls.prm'
Info: groups = {ngroups -> 1, group -> 
        {id -> TOL, chemistry -> "Cc1ccccc1", depth -> 8, charges ->
          forcefield, charge -> 0, terminator -> false}, ndeletes -> 0, 
        npolymers -> 0}
Info: put = {name -> "debug", compress -> false, detail -> 3}
Info: field = {mode -> apply, style -> none, error -> true, debug -> reduced, 
        check -> {atomistic -> true, charge -> true}}
Info: applying './opls.prm'
core/field/apply/rules.c:332 

group TOL	Cc1ccccc1

group = 
{group -> 0, name -> "TOL", chemistry -> "Cc1ccccc1", depth -> 8, connectivity
  -> 0, terminator -> false, charges -> forcefield, charge -> 0, sum -> 0, 
  mass -> 0, nsites -> 15, sites -> {
    {site -> 0, mass -> auto, element -> "C", connects -> {4, 1, 2, 3}, bonds
      -> {single, single, single, single}}, 
    {site -> 1, mass -> auto, element -> "H", connects -> 0, bonds -> single}, 
    {site -> 2, mass -> auto, element -> "H", connects -> 0, bonds -> single}, 
    {site -> 3, mass -> auto, element -> "H", connects -> 0, bonds -> single}, 
    {site -> 4, mass -> auto, element -> "C", ring -> {nsites -> 6, aromatic
        -> 1, bits -> 0x1, link -> 0x1}, connects -> {0, 5, 13}, bonds ->
      {single, partial, partial}}, 
    {site -> 5, mass -> auto, element -> "C", ring -> {nsites -> 6, aromatic
        -> 1, bits -> 0x1}, connects -> {4, 7, 6}, bonds -> {partial, partial,
      single}}, 
    {site -> 6, mass -> auto, element -> "H", connects -> 5, bonds -> single}, 
    {site -> 7, mass -> auto, element -> "C", ring -> {nsites -> 6, aromatic
        -> 1, bits -> 0x1}, connects -> {5, 9, 8}, bonds -> {partial, partial,
      single}}, 
    {site -> 8, mass -> auto, element -> "H", connects -> 7, bonds -> single}, 
    {site -> 9, mass -> auto, element -> "C", ring -> {nsites -> 6, aromatic
        -> 1, bits -> 0x1}, connects -> {7, 11, 10}, bonds -> {partial,
      partial, single}}, 
    {site -> 10, mass -> auto, element -> "H", connects -> 9, bonds ->
      single}, 
    {site -> 11, mass -> auto, element -> "C", ring -> {nsites -> 6, aromatic
        -> 1, bits -> 0x1}, connects -> {9, 13, 12}, bonds -> {partial,
      partial, single}}, 
    {site -> 12, mass -> auto, element -> "H", connects -> 11, bonds ->
      single}, 
    {site -> 13, mass -> auto, element -> "C", ring -> {nsites -> 6, aromatic
        -> 1, bits -> 0x1, end -> 0x1}, connects -> {11, 4, 14}, bonds ->
      {partial, partial, single}}, 
    {site -> 14, mass -> auto, element -> "H", connects -> 13, bonds ->
      single}}, nbranches -> 0}

core/field/apply/rules.c:353 [TOL] site = 0, connect = 0

core/field/apply/rules.c:88 [4] C {0, 0} {-1, -1} 0 -2 -1 0
core/field/apply/rules.c:88 [3]   C {0, 4} {0, 0} 1 -2 -1 0
core/field/apply/rules.c:88 [2]     C {0, 5} {0, 4} 1 -2 -1 0
core/field/apply/rules.c:88 [1]       C {0, 7} {0, 5} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         C {0, 9} {0, 7} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         H {0, 8} {0, 7} 0 -2 -1 0
core/field/apply/rules.c:88 [1]       H {0, 6} {0, 5} 0 -2 -1 0
core/field/apply/rules.c:88 [2]     C {0, 13} {0, 4} 1 -2 -1 0
core/field/apply/rules.c:88 [1]       C {0, 11} {0, 13} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         C {0, 9} {0, 11} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         H {0, 12} {0, 11} 0 -2 -1 0
core/field/apply/rules.c:88 [1]       H {0, 14} {0, 13} 0 -2 -1 0
core/field/apply/rules.c:88 [3]   H {0, 1} {0, 0} 0 -2 -1 0
core/field/apply/rules.c:88 [3]   H {0, 2} {0, 0} 0 -2 -1 0
core/field/apply/rules.c:88 [3]   H {0, 3} {0, 0} 0 -2 -1 0

core/field/apply/rules.c:364 depth = 4

TOL:0	C(^6c(:^6c(:^6c(:^6c)(H))(H))(:^6c(:^6c(:^6c)(H))(H)))(H)(H)(H)

core/field/apply/rules.c:212 [ca, c3]
Debug: core/field/rule.c:446 0	ca	0	c(:c)(:c)(C)
Debug: core/field/rule.c:446 0	ca	0	c(:c)(:c)(H)
Debug: core/field/rule.c:446 1	c3	0	C(:c(:c)(:c))(H)(H)(H)
core/field/apply/rules.c:378 match = (nil)
core/field/apply/rules.c:395 type[0] = >empty<

core/field/apply/rules.c:353 [TOL] site = 1, connect = 0

core/field/apply/rules.c:88 [4] H {0, 1} {-1, -1} 0 -2 -1 0
core/field/apply/rules.c:88 [3]   C {0, 0} {0, 1} 0 -2 -1 0
core/field/apply/rules.c:88 [2]     C {0, 4} {0, 0} 1 -2 -1 0
core/field/apply/rules.c:88 [1]       C {0, 5} {0, 4} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         C {0, 7} {0, 5} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         H {0, 6} {0, 5} 0 -2 -1 0
core/field/apply/rules.c:88 [1]       C {0, 13} {0, 4} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         C {0, 11} {0, 13} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         H {0, 14} {0, 13} 0 -2 -1 0
core/field/apply/rules.c:88 [2]     H {0, 2} {0, 0} 0 -2 -1 0
core/field/apply/rules.c:88 [2]     H {0, 3} {0, 0} 0 -2 -1 0

core/field/apply/rules.c:364 depth = 4

TOL:1	H(C(^6c(:^6c(:^6c)(H))(:^6c(:^6c)(H)))(H)(H))

core/field/apply/rules.c:212 [ha, hc]
Debug: core/field/rule.c:446 2	ha	0	H(c(:c)(:c))
Debug: core/field/rule.c:446 3	hc	0	H(C(c(:c)(:c))(H)(H))
core/field/apply/rules.c:378 match = (nil)
core/field/apply/rules.c:395 type[1] = >empty<

core/field/apply/rules.c:353 [TOL] site = 2, connect = 0

core/field/apply/rules.c:88 [4] H {0, 2} {-1, -1} 0 -2 -1 0
core/field/apply/rules.c:88 [3]   C {0, 0} {0, 2} 0 -2 -1 0
core/field/apply/rules.c:88 [2]     C {0, 4} {0, 0} 1 -2 -1 0
core/field/apply/rules.c:88 [1]       C {0, 5} {0, 4} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         C {0, 7} {0, 5} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         H {0, 6} {0, 5} 0 -2 -1 0
core/field/apply/rules.c:88 [1]       C {0, 13} {0, 4} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         C {0, 11} {0, 13} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         H {0, 14} {0, 13} 0 -2 -1 0
core/field/apply/rules.c:88 [2]     H {0, 1} {0, 0} 0 -2 -1 0
core/field/apply/rules.c:88 [2]     H {0, 3} {0, 0} 0 -2 -1 0

core/field/apply/rules.c:364 depth = 4

TOL:2	H(C(^6c(:^6c(:^6c)(H))(:^6c(:^6c)(H)))(H)(H))

core/field/apply/rules.c:212 [ha, hc]
Debug: core/field/rule.c:446 2	ha	0	H(c(:c)(:c))
Debug: core/field/rule.c:446 3	hc	0	H(C(c(:c)(:c))(H)(H))
core/field/apply/rules.c:378 match = (nil)
core/field/apply/rules.c:395 type[2] = >empty<

core/field/apply/rules.c:353 [TOL] site = 3, connect = 0

core/field/apply/rules.c:88 [4] H {0, 3} {-1, -1} 0 -2 -1 0
core/field/apply/rules.c:88 [3]   C {0, 0} {0, 3} 0 -2 -1 0
core/field/apply/rules.c:88 [2]     C {0, 4} {0, 0} 1 -2 -1 0
core/field/apply/rules.c:88 [1]       C {0, 5} {0, 4} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         C {0, 7} {0, 5} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         H {0, 6} {0, 5} 0 -2 -1 0
core/field/apply/rules.c:88 [1]       C {0, 13} {0, 4} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         C {0, 11} {0, 13} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         H {0, 14} {0, 13} 0 -2 -1 0
core/field/apply/rules.c:88 [2]     H {0, 1} {0, 0} 0 -2 -1 0
core/field/apply/rules.c:88 [2]     H {0, 2} {0, 0} 0 -2 -1 0

core/field/apply/rules.c:364 depth = 4

TOL:3	H(C(^6c(:^6c(:^6c)(H))(:^6c(:^6c)(H)))(H)(H))

core/field/apply/rules.c:212 [ha, hc]
Debug: core/field/rule.c:446 2	ha	0	H(c(:c)(:c))
Debug: core/field/rule.c:446 3	hc	0	H(C(c(:c)(:c))(H)(H))
core/field/apply/rules.c:378 match = (nil)
core/field/apply/rules.c:395 type[3] = >empty<

core/field/apply/rules.c:353 [TOL] site = 4, connect = 0

core/field/apply/rules.c:88 [4] C {0, 4} {-1, -1} 1 -2 -1 0
core/field/apply/rules.c:88 [3]   C {0, 0} {0, 4} 0 -2 -1 0
core/field/apply/rules.c:88 [2]     H {0, 1} {0, 0} 0 -2 -1 0
core/field/apply/rules.c:88 [2]     H {0, 2} {0, 0} 0 -2 -1 0
core/field/apply/rules.c:88 [2]     H {0, 3} {0, 0} 0 -2 -1 0
core/field/apply/rules.c:88 [3]   C {0, 5} {0, 4} 1 -2 -1 0
core/field/apply/rules.c:88 [2]     C {0, 7} {0, 5} 1 -2 -1 0
core/field/apply/rules.c:88 [1]       C {0, 9} {0, 7} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         C {0, 11} {0, 9} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         H {0, 10} {0, 9} 0 -2 -1 0
core/field/apply/rules.c:88 [1]       H {0, 8} {0, 7} 0 -2 -1 0
core/field/apply/rules.c:88 [2]     H {0, 6} {0, 5} 0 -2 -1 0
core/field/apply/rules.c:88 [3]   C {0, 13} {0, 4} 1 -2 -1 0
core/field/apply/rules.c:88 [2]     C {0, 11} {0, 13} 1 -2 -1 0
core/field/apply/rules.c:88 [1]       C {0, 9} {0, 11} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         C {0, 7} {0, 9} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         H {0, 10} {0, 9} 0 -2 -1 0
core/field/apply/rules.c:88 [1]       H {0, 12} {0, 11} 0 -2 -1 0
core/field/apply/rules.c:88 [2]     H {0, 14} {0, 13} 0 -2 -1 0

core/field/apply/rules.c:364 depth = 4

TOL:4	^6c(C(H)(H)(H))(:^6c(:^6c(:^6c(:^6c)(H))(H))(H))(:^6c(:^6c(:^6c(:^6c)(H))(H))(H))

core/field/apply/rules.c:212 [ca, c3]
Debug: core/field/rule.c:446 0	ca	0	c(:c)(:c)(C)
Debug: core/field/rule.c:446 0	ca	0	c(:c)(:c)(H)
Debug: core/field/rule.c:446 1	c3	0	C(:c(:c)(:c))(H)(H)(H)
core/field/apply/rules.c:378 match = (nil)
core/field/apply/rules.c:395 type[4] = >empty<

core/field/apply/rules.c:353 [TOL] site = 5, connect = 0

core/field/apply/rules.c:88 [4] C {0, 5} {-1, -1} 1 -2 -1 0
core/field/apply/rules.c:88 [3]   C {0, 4} {0, 5} 1 -2 -1 0
core/field/apply/rules.c:88 [2]     C {0, 0} {0, 4} 0 -2 -1 0
core/field/apply/rules.c:88 [1]       H {0, 1} {0, 0} 0 -2 -1 0
core/field/apply/rules.c:88 [1]       H {0, 2} {0, 0} 0 -2 -1 0
core/field/apply/rules.c:88 [1]       H {0, 3} {0, 0} 0 -2 -1 0
core/field/apply/rules.c:88 [2]     C {0, 13} {0, 4} 1 -2 -1 0
core/field/apply/rules.c:88 [1]       C {0, 11} {0, 13} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         C {0, 9} {0, 11} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         H {0, 12} {0, 11} 0 -2 -1 0
core/field/apply/rules.c:88 [1]       H {0, 14} {0, 13} 0 -2 -1 0
core/field/apply/rules.c:88 [3]   C {0, 7} {0, 5} 1 -2 -1 0
core/field/apply/rules.c:88 [2]     C {0, 9} {0, 7} 1 -2 -1 0
core/field/apply/rules.c:88 [1]       C {0, 11} {0, 9} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         C {0, 13} {0, 11} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         H {0, 12} {0, 11} 0 -2 -1 0
core/field/apply/rules.c:88 [1]       H {0, 10} {0, 9} 0 -2 -1 0
core/field/apply/rules.c:88 [2]     H {0, 8} {0, 7} 0 -2 -1 0
core/field/apply/rules.c:88 [3]   H {0, 6} {0, 5} 0 -2 -1 0

core/field/apply/rules.c:364 depth = 4

TOL:5	^6c(:^6c(C(H)(H)(H))(:^6c(:^6c(:^6c)(H))(H)))(:^6c(:^6c(:^6c(:^6c)(H))(H))(H))(H)

core/field/apply/rules.c:212 [ca, c3]
Debug: core/field/rule.c:446 0	ca	0	c(:c)(:c)(C)
Debug: core/field/rule.c:446 0	ca	0	c(:c)(:c)(H)
Debug: core/field/rule.c:446 1	c3	0	C(:c(:c)(:c))(H)(H)(H)
core/field/apply/rules.c:378 match = (nil)
core/field/apply/rules.c:395 type[5] = >empty<

core/field/apply/rules.c:353 [TOL] site = 6, connect = 0

core/field/apply/rules.c:88 [4] H {0, 6} {-1, -1} 0 -2 -1 0
core/field/apply/rules.c:88 [3]   C {0, 5} {0, 6} 1 -2 -1 0
core/field/apply/rules.c:88 [2]     C {0, 4} {0, 5} 1 -2 -1 0
core/field/apply/rules.c:88 [1]       C {0, 0} {0, 4} 0 -2 -1 0
core/field/apply/rules.c:57 [0]         H {0, 1} {0, 0} 0 -2 -1 0
core/field/apply/rules.c:57 [0]         H {0, 2} {0, 0} 0 -2 -1 0
core/field/apply/rules.c:57 [0]         H {0, 3} {0, 0} 0 -2 -1 0
core/field/apply/rules.c:88 [1]       C {0, 13} {0, 4} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         C {0, 11} {0, 13} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         H {0, 14} {0, 13} 0 -2 -1 0
core/field/apply/rules.c:88 [2]     C {0, 7} {0, 5} 1 -2 -1 0
core/field/apply/rules.c:88 [1]       C {0, 9} {0, 7} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         C {0, 11} {0, 9} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         H {0, 10} {0, 9} 0 -2 -1 0
core/field/apply/rules.c:88 [1]       H {0, 8} {0, 7} 0 -2 -1 0

core/field/apply/rules.c:364 depth = 4

TOL:6	H(^6c(:^6c(C(H)(H)(H))(:^6c(:^6c)(H)))(:^6c(:^6c(:^6c)(H))(H)))

core/field/apply/rules.c:212 [ha, hc]
Debug: core/field/rule.c:446 2	ha	0	H(c(:c)(:c))
Debug: core/field/rule.c:446 3	hc	0	H(C(c(:c)(:c))(H)(H))
core/field/apply/rules.c:378 match = (nil)
core/field/apply/rules.c:395 type[6] = >empty<

core/field/apply/rules.c:353 [TOL] site = 7, connect = 0

core/field/apply/rules.c:88 [4] C {0, 7} {-1, -1} 1 -2 -1 0
core/field/apply/rules.c:88 [3]   C {0, 5} {0, 7} 1 -2 -1 0
core/field/apply/rules.c:88 [2]     C {0, 4} {0, 5} 1 -2 -1 0
core/field/apply/rules.c:88 [1]       C {0, 0} {0, 4} 0 -2 -1 0
core/field/apply/rules.c:57 [0]         H {0, 1} {0, 0} 0 -2 -1 0
core/field/apply/rules.c:57 [0]         H {0, 2} {0, 0} 0 -2 -1 0
core/field/apply/rules.c:57 [0]         H {0, 3} {0, 0} 0 -2 -1 0
core/field/apply/rules.c:88 [1]       C {0, 13} {0, 4} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         C {0, 11} {0, 13} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         H {0, 14} {0, 13} 0 -2 -1 0
core/field/apply/rules.c:88 [2]     H {0, 6} {0, 5} 0 -2 -1 0
core/field/apply/rules.c:88 [3]   C {0, 9} {0, 7} 1 -2 -1 0
core/field/apply/rules.c:88 [2]     C {0, 11} {0, 9} 1 -2 -1 0
core/field/apply/rules.c:88 [1]       C {0, 13} {0, 11} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         C {0, 4} {0, 13} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         H {0, 14} {0, 13} 0 -2 -1 0
core/field/apply/rules.c:88 [1]       H {0, 12} {0, 11} 0 -2 -1 0
core/field/apply/rules.c:88 [2]     H {0, 10} {0, 9} 0 -2 -1 0
core/field/apply/rules.c:88 [3]   H {0, 8} {0, 7} 0 -2 -1 0

core/field/apply/rules.c:364 depth = 4

TOL:7	^6c(:^6c(:^6c(C(H)(H)(H))(:^6c(:^6c)(H)))(H))(:^6c(:^6c(:^6c(:^6c)(H))(H))(H))(H)

core/field/apply/rules.c:212 [ca, c3]
Debug: core/field/rule.c:446 0	ca	0	c(:c)(:c)(C)
Debug: core/field/rule.c:446 0	ca	0	c(:c)(:c)(H)
Debug: core/field/rule.c:446 1	c3	0	C(:c(:c)(:c))(H)(H)(H)
core/field/apply/rules.c:378 match = (nil)
core/field/apply/rules.c:395 type[7] = >empty<

core/field/apply/rules.c:353 [TOL] site = 8, connect = 0

core/field/apply/rules.c:88 [4] H {0, 8} {-1, -1} 0 -2 -1 0
core/field/apply/rules.c:88 [3]   C {0, 7} {0, 8} 1 -2 -1 0
core/field/apply/rules.c:88 [2]     C {0, 5} {0, 7} 1 -2 -1 0
core/field/apply/rules.c:88 [1]       C {0, 4} {0, 5} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         C {0, 0} {0, 4} 0 -2 -1 0
core/field/apply/rules.c:57 [0]         C {0, 13} {0, 4} 1 -2 -1 0
core/field/apply/rules.c:88 [1]       H {0, 6} {0, 5} 0 -2 -1 0
core/field/apply/rules.c:88 [2]     C {0, 9} {0, 7} 1 -2 -1 0
core/field/apply/rules.c:88 [1]       C {0, 11} {0, 9} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         C {0, 13} {0, 11} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         H {0, 12} {0, 11} 0 -2 -1 0
core/field/apply/rules.c:88 [1]       H {0, 10} {0, 9} 0 -2 -1 0

core/field/apply/rules.c:364 depth = 4

TOL:8	H(^6c(:^6c(:^6c(C)(:^6c))(H))(:^6c(:^6c(:^6c)(H))(H)))

core/field/apply/rules.c:212 [ha, hc]
Debug: core/field/rule.c:446 2	ha	0	H(c(:c)(:c))
Debug: core/field/rule.c:446 3	hc	0	H(C(c(:c)(:c))(H)(H))
core/field/apply/rules.c:378 match = (nil)
core/field/apply/rules.c:395 type[8] = >empty<

core/field/apply/rules.c:353 [TOL] site = 9, connect = 0

core/field/apply/rules.c:88 [4] C {0, 9} {-1, -1} 1 -2 -1 0
core/field/apply/rules.c:88 [3]   C {0, 7} {0, 9} 1 -2 -1 0
core/field/apply/rules.c:88 [2]     C {0, 5} {0, 7} 1 -2 -1 0
core/field/apply/rules.c:88 [1]       C {0, 4} {0, 5} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         C {0, 0} {0, 4} 0 -2 -1 0
core/field/apply/rules.c:57 [0]         C {0, 13} {0, 4} 1 -2 -1 0
core/field/apply/rules.c:88 [1]       H {0, 6} {0, 5} 0 -2 -1 0
core/field/apply/rules.c:88 [2]     H {0, 8} {0, 7} 0 -2 -1 0
core/field/apply/rules.c:88 [3]   C {0, 11} {0, 9} 1 -2 -1 0
core/field/apply/rules.c:88 [2]     C {0, 13} {0, 11} 1 -2 -1 0
core/field/apply/rules.c:88 [1]       C {0, 4} {0, 13} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         C {0, 0} {0, 4} 0 -2 -1 0
core/field/apply/rules.c:57 [0]         C {0, 5} {0, 4} 1 -2 -1 0
core/field/apply/rules.c:88 [1]       H {0, 14} {0, 13} 0 -2 -1 0
core/field/apply/rules.c:88 [2]     H {0, 12} {0, 11} 0 -2 -1 0
core/field/apply/rules.c:88 [3]   H {0, 10} {0, 9} 0 -2 -1 0

core/field/apply/rules.c:364 depth = 4

TOL:9	^6c(:^6c(:^6c(:^6c(C)(:^6c))(H))(H))(:^6c(:^6c(:^6c(C)(:^6c))(H))(H))(H)

core/field/apply/rules.c:212 [ca, c3]
Debug: core/field/rule.c:446 0	ca	0	c(:c)(:c)(C)
Debug: core/field/rule.c:446 0	ca	0	c(:c)(:c)(H)
Debug: core/field/rule.c:446 1	c3	0	C(:c(:c)(:c))(H)(H)(H)
core/field/apply/rules.c:378 match = (nil)
core/field/apply/rules.c:395 type[9] = >empty<

core/field/apply/rules.c:353 [TOL] site = 10, connect = 0

core/field/apply/rules.c:88 [4] H {0, 10} {-1, -1} 0 -2 -1 0
core/field/apply/rules.c:88 [3]   C {0, 9} {0, 10} 1 -2 -1 0
core/field/apply/rules.c:88 [2]     C {0, 7} {0, 9} 1 -2 -1 0
core/field/apply/rules.c:88 [1]       C {0, 5} {0, 7} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         C {0, 4} {0, 5} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         H {0, 6} {0, 5} 0 -2 -1 0
core/field/apply/rules.c:88 [1]       H {0, 8} {0, 7} 0 -2 -1 0
core/field/apply/rules.c:88 [2]     C {0, 11} {0, 9} 1 -2 -1 0
core/field/apply/rules.c:88 [1]       C {0, 13} {0, 11} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         C {0, 4} {0, 13} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         H {0, 14} {0, 13} 0 -2 -1 0
core/field/apply/rules.c:88 [1]       H {0, 12} {0, 11} 0 -2 -1 0

core/field/apply/rules.c:364 depth = 4

TOL:10	H(^6c(:^6c(:^6c(:^6c)(H))(H))(:^6c(:^6c(:^6c)(H))(H)))

core/field/apply/rules.c:212 [ha, hc]
Debug: core/field/rule.c:446 2	ha	0	H(c(:c)(:c))
Debug: core/field/rule.c:446 3	hc	0	H(C(c(:c)(:c))(H)(H))
core/field/apply/rules.c:378 match = (nil)
core/field/apply/rules.c:395 type[10] = >empty<

core/field/apply/rules.c:353 [TOL] site = 11, connect = 0

core/field/apply/rules.c:88 [4] C {0, 11} {-1, -1} 1 -2 -1 0
core/field/apply/rules.c:88 [3]   C {0, 9} {0, 11} 1 -2 -1 0
core/field/apply/rules.c:88 [2]     C {0, 7} {0, 9} 1 -2 -1 0
core/field/apply/rules.c:88 [1]       C {0, 5} {0, 7} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         C {0, 4} {0, 5} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         H {0, 6} {0, 5} 0 -2 -1 0
core/field/apply/rules.c:88 [1]       H {0, 8} {0, 7} 0 -2 -1 0
core/field/apply/rules.c:88 [2]     H {0, 10} {0, 9} 0 -2 -1 0
core/field/apply/rules.c:88 [3]   C {0, 13} {0, 11} 1 -2 -1 0
core/field/apply/rules.c:88 [2]     C {0, 4} {0, 13} 1 -2 -1 0
core/field/apply/rules.c:88 [1]       C {0, 0} {0, 4} 0 -2 -1 0
core/field/apply/rules.c:57 [0]         H {0, 1} {0, 0} 0 -2 -1 0
core/field/apply/rules.c:57 [0]         H {0, 2} {0, 0} 0 -2 -1 0
core/field/apply/rules.c:57 [0]         H {0, 3} {0, 0} 0 -2 -1 0
core/field/apply/rules.c:88 [1]       C {0, 5} {0, 4} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         C {0, 7} {0, 5} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         H {0, 6} {0, 5} 0 -2 -1 0
core/field/apply/rules.c:88 [2]     H {0, 14} {0, 13} 0 -2 -1 0
core/field/apply/rules.c:88 [3]   H {0, 12} {0, 11} 0 -2 -1 0

core/field/apply/rules.c:364 depth = 4

TOL:11	^6c(:^6c(:^6c(C(H)(H)(H))(:^6c(:^6c)(H)))(H))(:^6c(:^6c(:^6c(:^6c)(H))(H))(H))(H)

core/field/apply/rules.c:212 [ca, c3]
Debug: core/field/rule.c:446 0	ca	0	c(:c)(:c)(C)
Debug: core/field/rule.c:446 0	ca	0	c(:c)(:c)(H)
Debug: core/field/rule.c:446 1	c3	0	C(:c(:c)(:c))(H)(H)(H)
core/field/apply/rules.c:378 match = (nil)
core/field/apply/rules.c:395 type[11] = >empty<

core/field/apply/rules.c:353 [TOL] site = 12, connect = 0

core/field/apply/rules.c:88 [4] H {0, 12} {-1, -1} 0 -2 -1 0
core/field/apply/rules.c:88 [3]   C {0, 11} {0, 12} 1 -2 -1 0
core/field/apply/rules.c:88 [2]     C {0, 9} {0, 11} 1 -2 -1 0
core/field/apply/rules.c:88 [1]       C {0, 7} {0, 9} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         C {0, 5} {0, 7} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         H {0, 8} {0, 7} 0 -2 -1 0
core/field/apply/rules.c:88 [1]       H {0, 10} {0, 9} 0 -2 -1 0
core/field/apply/rules.c:88 [2]     C {0, 13} {0, 11} 1 -2 -1 0
core/field/apply/rules.c:88 [1]       C {0, 4} {0, 13} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         C {0, 0} {0, 4} 0 -2 -1 0
core/field/apply/rules.c:57 [0]         C {0, 5} {0, 4} 1 -2 -1 0
core/field/apply/rules.c:88 [1]       H {0, 14} {0, 13} 0 -2 -1 0

core/field/apply/rules.c:364 depth = 4

TOL:12	H(^6c(:^6c(:^6c(C)(:^6c))(H))(:^6c(:^6c(:^6c)(H))(H)))

core/field/apply/rules.c:212 [ha, hc]
Debug: core/field/rule.c:446 2	ha	0	H(c(:c)(:c))
Debug: core/field/rule.c:446 3	hc	0	H(C(c(:c)(:c))(H)(H))
core/field/apply/rules.c:378 match = (nil)
core/field/apply/rules.c:395 type[12] = >empty<

core/field/apply/rules.c:353 [TOL] site = 13, connect = 0

core/field/apply/rules.c:88 [4] C {0, 13} {-1, -1} 1 -2 -1 0
core/field/apply/rules.c:88 [3]   C {0, 11} {0, 13} 1 -2 -1 0
core/field/apply/rules.c:88 [2]     C {0, 9} {0, 11} 1 -2 -1 0
core/field/apply/rules.c:88 [1]       C {0, 7} {0, 9} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         C {0, 5} {0, 7} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         H {0, 8} {0, 7} 0 -2 -1 0
core/field/apply/rules.c:88 [1]       H {0, 10} {0, 9} 0 -2 -1 0
core/field/apply/rules.c:88 [2]     H {0, 12} {0, 11} 0 -2 -1 0
core/field/apply/rules.c:88 [3]   C {0, 4} {0, 13} 1 -2 -1 0
core/field/apply/rules.c:88 [2]     C {0, 0} {0, 4} 0 -2 -1 0
core/field/apply/rules.c:88 [1]       H {0, 1} {0, 0} 0 -2 -1 0
core/field/apply/rules.c:88 [1]       H {0, 2} {0, 0} 0 -2 -1 0
core/field/apply/rules.c:88 [1]       H {0, 3} {0, 0} 0 -2 -1 0
core/field/apply/rules.c:88 [2]     C {0, 5} {0, 4} 1 -2 -1 0
core/field/apply/rules.c:88 [1]       C {0, 7} {0, 5} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         C {0, 9} {0, 7} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         H {0, 8} {0, 7} 0 -2 -1 0
core/field/apply/rules.c:88 [1]       H {0, 6} {0, 5} 0 -2 -1 0
core/field/apply/rules.c:88 [3]   H {0, 14} {0, 13} 0 -2 -1 0

core/field/apply/rules.c:364 depth = 4

TOL:13	^6c(:^6c(C(H)(H)(H))(:^6c(:^6c(:^6c)(H))(H)))(:^6c(:^6c(:^6c(:^6c)(H))(H))(H))(H)

core/field/apply/rules.c:212 [ca, c3]
Debug: core/field/rule.c:446 0	ca	0	c(:c)(:c)(C)
Debug: core/field/rule.c:446 0	ca	0	c(:c)(:c)(H)
Debug: core/field/rule.c:446 1	c3	0	C(:c(:c)(:c))(H)(H)(H)
core/field/apply/rules.c:378 match = (nil)
core/field/apply/rules.c:395 type[13] = >empty<

core/field/apply/rules.c:353 [TOL] site = 14, connect = 0

core/field/apply/rules.c:88 [4] H {0, 14} {-1, -1} 0 -2 -1 0
core/field/apply/rules.c:88 [3]   C {0, 13} {0, 14} 1 -2 -1 0
core/field/apply/rules.c:88 [2]     C {0, 11} {0, 13} 1 -2 -1 0
core/field/apply/rules.c:88 [1]       C {0, 9} {0, 11} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         C {0, 7} {0, 9} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         H {0, 10} {0, 9} 0 -2 -1 0
core/field/apply/rules.c:88 [1]       H {0, 12} {0, 11} 0 -2 -1 0
core/field/apply/rules.c:88 [2]     C {0, 4} {0, 13} 1 -2 -1 0
core/field/apply/rules.c:88 [1]       C {0, 0} {0, 4} 0 -2 -1 0
core/field/apply/rules.c:57 [0]         H {0, 1} {0, 0} 0 -2 -1 0
core/field/apply/rules.c:57 [0]         H {0, 2} {0, 0} 0 -2 -1 0
core/field/apply/rules.c:57 [0]         H {0, 3} {0, 0} 0 -2 -1 0
core/field/apply/rules.c:88 [1]       C {0, 5} {0, 4} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         C {0, 7} {0, 5} 1 -2 -1 0
core/field/apply/rules.c:57 [0]         H {0, 6} {0, 5} 0 -2 -1 0

core/field/apply/rules.c:364 depth = 4

TOL:14	H(^6c(:^6c(C(H)(H)(H))(:^6c(:^6c)(H)))(:^6c(:^6c(:^6c)(H))(H)))

core/field/apply/rules.c:212 [ha, hc]
Debug: core/field/rule.c:446 2	ha	0	H(c(:c)(:c))
Debug: core/field/rule.c:446 3	hc	0	H(C(c(:c)(:c))(H)(H))
core/field/apply/rules.c:378 match = (nil)
core/field/apply/rules.c:395 type[14] = >empty<

Warning: missing rules for field './opls.prm'.
Warning: missing rule for {group, site} = {TOL, 0}.
Warning: missing rule for {group, site} = {TOL, 1}.
Warning: missing rule for {group, site} = {TOL, 2}.
Warning: missing rule for {group, site} = {TOL, 3}.
Warning: missing rule for {group, site} = {TOL, 4}.
Warning: missing rule for {group, site} = {TOL, 5}.
Warning: missing rule for {group, site} = {TOL, 6}.
Warning: missing rule for {group, site} = {TOL, 7}.
Warning: missing rule for {group, site} = {TOL, 8}.
Warning: missing rule for {group, site} = {TOL, 9}.
Warning: missing rule for {group, site} = {TOL, 10}.
Warning: missing rule for {group, site} = {TOL, 11}.
Warning: missing rule for {group, site} = {TOL, 12}.
Warning: missing rule for {group, site} = {TOL, 13}.
Warning: missing rule for {group, site} = {TOL, 14}.
Error: core/fields.c:432 FieldsApply:
       Missing rules.
       Program aborted.