LAMMPS (7 Jan 2022) using 1 OpenMP thread(s) per MPI task log 2.1_Initialize.out #------------------------------------------------------------------------------- # Stage 2.1: Initialize LAMMPS run for 3-d periodic #------------------------------------------------------------------------------- units real boundary p p p atom_style full pair_style lj/class2/coul/long 12 pair_modify mix sixthpower pair_modify tail yes bond_style class2 angle_style class2 dihedral_style class2 improper_style class2 special_bonds lj 0.0 0.0 1.0 coul 0.0 0.0 1.0 box tilt large read_data structure.dat Reading data file ... orthogonal box = (0 0 0) to (39.00424 48.916 19.5) 4 by 4 by 2 MPI processor grid reading atoms ... 3840 atoms scanning bonds ... 1 = max bonds/atom scanning angles ... 6 = max angles/atom scanning impropers ... 4 = max impropers/atom reading bonds ... 2560 bonds reading angles ... 1920 angles reading impropers ... 640 impropers Finding 1-2 1-3 1-4 neighbors ... special bond factors lj: 0 0 1 special bond factors coul: 0 0 1 4 = max # of 1-2 neighbors 3 = max # of 1-3 neighbors 4 = max # of special neighbors special bonds CPU = 0.001 seconds read_data CPU = 0.025 seconds include parameters.dat bond_coeff 1 1.5325 277.56 -433.25 2922.8 # o1S- s4o- bond_coeff 2 0.97 563.28 -1428.2 1902.1 # h* o* angle_coeff 1 109.47 87.637 -98.528 174.89 # o1S- s4o- o1S- angle_coeff 2 103.7 49.84 -11.6 -8 # h* o* h* dihedral_coeff 1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 # xxx xxx xxx xxx improper_coeff 1 0 0 # * s_ * * angle_coeff 1 bb 130.45 1.5325 1.5325 # o1S- s4o- o1S- angle_coeff 2 bb -9.5 0.97 0.97 # h* o* h* angle_coeff 1 ba 0.0 0.0 1.5325 1.5325 # o1S- s4o- o1S- angle_coeff 2 ba 22.35 22.35 0.97 0.97 # h* o* h* dihedral_coeff 1 mbt 0.0000 0.0000 0.0000 0.0 # xxx xxx xxx xxx dihedral_coeff 1 ebt 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0 0.0 # xxx xxx xxx xxx dihedral_coeff 1 at 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0 0.0 # xxx xxx xxx xxx dihedral_coeff 1 aat 0.0000 0.0 0.0 # xxx xxx xxx xxx dihedral_coeff 1 bb13 0.0 0.0 0.0 # xxx xxx xxx xxx improper_coeff 1 aa 0.0 0.0 0.0 120.0 120.0 120.0 # * s_ * * pair_coeff 1 1 0 1.098 # hw - pair_coeff 2 2 0.2951 2.3959 # mg+ - pair_coeff 3 3 0.148 3.7824 # o* - pair_coeff 4 4 0.1436 3.6173 # o1S- - pair_coeff 5 5 0.24 4.08 # s4o- - neighbor 2.0 bin neigh_modify delay 0 every 1 check yes kspace_style pppm 0.00001 variable R equal 0.00198722 variable sysvol equal vol variable sysmass equal mass(all)/6.0221367e+23 variable sysdensity equal v_sysmass/v_sysvol/1.0e-24 variable coulomb equal ecoul+elong variable etotal equal etotal variable pe equal pe variable ke equal ke variable evdwl equal evdwl variable epair equal epair variable ebond equal ebond variable eangle equal eangle variable edihed equal edihed variable eimp equal eimp variable lx equal lx variable ly equal ly variable lz equal lz variable Nthermo equal 0 variable cella equal lx variable cellb equal sqrt(ly*ly+xy*xy) variable cellc equal sqrt(lz*lz+xz*xz+yz*yz) variable cellalpha equal acos((xy*xz+ly*yz)/(v_cellb*v_cellc)) variable cellbeta equal acos(xz/v_cellc) variable cellgamma equal acos(xy/v_cellb) variable p equal press variable pxx equal pxx variable pyy equal pyy variable pzz equal pzz variable pyz equal pyz variable pxz equal pxz variable pxy equal pxy variable sxx equal -pxx variable syy equal -pyy variable szz equal -pzz variable syz equal -pyz variable sxz equal -pxz variable sxy equal -pxy variable fmax equal fmax variable fnorm equal fnorm variable time equal step*dt+0.000001 variable surfacetension equal 0.5*v_lz*(0.5*(v_sxx+v_syy)-v_szz) thermo_style custom step v_time press vol v_sysdensity temp ebond eangle edihed eimp evdwl ecoul etail elong pe ke thermo_modify flush yes # # Set up the fixed and movable groups # group movable union all 3840 atoms in group movable group fixed subtract all movable 0 atoms in group fixed compute sum_f1 movable reduce sum fx fy fz variable sum_fx equal c_sum_f1[1] variable sum_fy equal c_sum_f1[2] variable sum_fz equal c_sum_f1[3] log 2.2_Minimization.out #------------------------------------------------------------------------------- # Stage 2.2: Minimization #------------------------------------------------------------------------------- min_style cg min_modify dmax 0.05 line fast reset_timestep 0 thermo_style custom step fmax fnorm press vol v_sysdensity v_sxx v_syy v_szz v_syz v_sxz v_sxy pe v_cella v_cellb v_cellc v_cellalpha v_cellbeta v_cellgamma v_sum_fx v_sum_fy v_sum_fz WARNING: New thermo_style command, previous thermo_modify settings will be lost (../output.cpp:888) dump sci all custom 1000 2.2.xyz id mol type q xs ys zs thermo 100 minimize 0.0 1.0 1000 10000 PPPM initialization ... WARNING: System is not charge neutral, net charge = 0.016 (../kspace.cpp:325) using 12-bit tables for long-range coulomb (../kspace.cpp:340) G vector (1/distance) = 0.26048984 grid = 30 36 18 stencil order = 5 estimated absolute RMS force accuracy = 0.0034363188 estimated relative force accuracy = 1.0348372e-05 using double precision KISS FFT 3d grid and FFT values/proc = 3584 750 generated 0 of 10 mixed pair_coeff terms from sixthpower mixing rule Neighbor list info ... update every 1 steps, delay 0 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 14 ghost atom cutoff = 14 binsize = 7, bins = 6 7 3 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/class2/coul/long, perpetual attributes: half, newton on pair build: half/bin/newton stencil: half/bin/3d bin: standard Setting up cg style minimization ... Unit style : real Current step : 0 Per MPI rank memory allocation (min/avg/max) = 12.27 | 12.28 | 12.29 Mbytes Step Fmax Fnorm Press Volume v_sysdensity v_sxx v_syy v_szz v_syz v_sxz v_sxy PotEng v_cella v_cellb v_cellc v_cellalpha v_cellbeta v_cellgamma v_sum_fx v_sum_fy v_sum_fz 0 17.723276 167.51305 -1809.9109 37204.662 1.6314719 10151.166 -4160.0999 -561.33318 69.918168 60.018936 -3227.3273 -128469.21 39.00424 48.916 19.5 1.5707963 1.5707963 1.5707963 -2.8999025e-13 -1.1429746e-12 3.7658765e-12 100 0.57948863 9.5771673 -5362.8781 37204.662 1.6314719 12113.501 -2021.0206 5996.154 -89.109873 924.72624 -3115.0002 -128850.69 39.00424 48.916 19.5 1.5707963 1.5707963 1.5707963 6.9289019e-13 2.8578806e-12 -2.9132252e-13 200 0.14186446 3.1342545 -5193.8312 37204.662 1.6314719 12490.447 -2741.7952 5832.8421 -180.67577 1119.6092 -2986.8451 -128854.56 39.00424 48.916 19.5 1.5707963 1.5707963 1.5707963 1.8155477e-12 2.2135627e-12 2.0852209e-12 300 1.3090201 11.478979 -5136.6793 37204.662 1.6314719 12592.303 -2916.5097 5734.2445 -191.75146 1254.6109 -3090.7286 -128860.67 39.00424 48.916 19.5 1.5707963 1.5707963 1.5707963 1.5916157e-12 2.6343372e-12 -2.5857094e-12 400 0.53771776 6.4253304 -5104.567 37204.662 1.6314719 12805.773 -3191.6039 5699.532 -203.16058 1168.0785 -3272.0084 -128873.3 39.00424 48.916 19.5 1.5707963 1.5707963 1.5707963 1.2878587e-14 2.7822189e-13 2.100542e-13 500 0.46722529 5.3817791 -5090.6489 37204.662 1.6314719 12934.969 -3389.2819 5726.2595 -223.52126 1265.0067 -3392.7477 -128883.05 39.00424 48.916 19.5 1.5707963 1.5707963 1.5707963 -1.3183898e-13 3.205769e-13 -1.224576e-13 600 1.786877 13.582653 -5089.5438 37204.662 1.6314719 13073.067 -3455.0997 5650.6642 -287.12832 1285.9415 -3534.5455 -128890.47 39.00424 48.916 19.5 1.5707963 1.5707963 1.5707963 4.9669158e-12 -1.562861e-12 -1.7079671e-12 690 0.087003901 0.86902515 -5050.756 37204.662 1.6314719 13028.803 -3540.4399 5663.9051 -243.19124 1282.0251 -3549.4245 -128893 39.00424 48.916 19.5 1.5707963 1.5707963 1.5707963 4.9299453e-13 -3.6676218e-13 2.3067104e-12 Loop time of 4.34336 on 32 procs for 690 steps with 3840 atoms 99.3% CPU use with 32 MPI tasks x 1 OpenMP threads Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -128469.211903871 -128892.998988322 -128893.000471354 Force two-norm initial, final = 167.51305 0.86902515 Force max component initial, final = 17.723276 0.087003901 Final line search alpha, max atom move = 0.00143299 0.00012467572 Iterations, force evaluations = 690 1345 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 2.2048 | 2.6706 | 3.0477 | 19.4 | 61.49 Bond | 0.011271 | 0.01285 | 0.014828 | 0.9 | 0.30 Kspace | 0.75976 | 1.1369 | 1.6048 | 29.8 | 26.18 Neigh | 0.013587 | 0.013781 | 0.013928 | 0.1 | 0.32 Comm | 0.44629 | 0.45255 | 0.45827 | 0.4 | 10.42 Output | 0.0014362 | 0.0014405 | 0.0015126 | 0.0 | 0.03 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0.05527 | | | 1.27 Nlocal: 120 ave 128 max 113 min Histogram: 2 0 6 4 6 0 10 0 2 2 Nghost: 5670.94 ave 5714 max 5634 min Histogram: 4 2 2 8 4 2 2 4 0 4 Neighs: 71037.5 ave 80057 max 59505 min Histogram: 7 1 2 3 1 2 0 1 7 8 Total # of neighbors = 2273200 Ave neighs/atom = 591.97917 Ave special neighs/atom = 2.3333333 Neighbor list builds = 6 Dangerous builds = 0 undump sci log 2.3_Velocities.out #------------------------------------------------------------------------------- # Stage 2.3: Set the initial velocities for $T #------------------------------------------------------------------------------- velocity all create 298.2 72489 dist gaussian mom yes rot no log 2.4_NPT.out #------------------------------------------------------------------------------- # Stage 2.4: NPT integration for 2 ns with a timestep of 1 fs # Temperature 298.2 K # Pressure 1 atm #------------------------------------------------------------------------------- # Fix shake is needed for water in pcff+ fix shaken all shake .0001 20 50000 a 2 b 2 Finding SHAKE clusters ... 0 = # of size 2 clusters 0 = # of size 3 clusters 0 = # of size 4 clusters 960 = # of frozen angles find clusters CPU = 0.002 seconds change_box all triclinic Changing box ... triclinic box = (0 0 0) to (39.00424 48.916 19.5) with tilt (0 0 0) kspace_style pppm 0.00001 reset_timestep 0 thermo_style custom step v_time press vol v_sysdensity temp ebond eangle edihed eimp evdwl ecoul etail elong pe ke thermo ${Nthermo} thermo 0 change_box all triclinic Changing box ... triclinic box = (0 0 0) to (39.00424 48.916 19.5) with tilt (0 0 0) fix 1 movable npt temp 298.2 298.2 100 x 1 1 100 y 1 1 100 z 1 1 100 drag 0 mtk yes nreset 40000 fix 2 movable ave/time 1 199999 200000 v_time c_thermo_temp c_thermo_press v_sysvol v_sysdensity v_etotal v_cella v_cellb v_cellc v_cellalpha v_cellbeta v_cellgamma v_pe v_ke v_evdwl v_coulomb v_sxx v_syy v_szz v_syz v_sxz v_sxy file 2.4_averages.txt off 1 fix 3 movable ave/time 200 1 200 v_time c_thermo_temp c_thermo_press v_sysvol v_sysdensity v_etotal v_cella v_cellb v_cellc v_cellalpha v_cellbeta v_cellgamma v_pe v_ke v_evdwl v_coulomb v_sxx v_syy v_szz v_syz v_sxz v_sxy file 2.4_instantaneous.txt restart 2000000 2.4.restart dump sci all custom 200000 2.4.xyz id mol type q xs ys zs timestep 1 run 2000000 PPPM initialization ... WARNING: System is not charge neutral, net charge = 0.016 (../kspace.cpp:325) using 12-bit tables for long-range coulomb (../kspace.cpp:340) G vector (1/distance) = 0.2632259 grid = 32 36 20 stencil order = 5 estimated absolute RMS force accuracy = 0.0027916347 estimated relative force accuracy = 8.406925e-06 using double precision KISS FFT 3d grid and FFT values/proc = 4080 800 generated 0 of 10 mixed pair_coeff terms from sixthpower mixing rule Neighbor list info ... update every 1 steps, delay 0 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 14 ghost atom cutoff = 14 binsize = 7, bins = 6 7 3 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/class2/coul/long, perpetual attributes: half, newton on pair build: half/bin/newton/tri stencil: half/bin/3d/tri bin: standard Setting up Verlet run ... Unit style : real Current step : 0 Time step : 1 SHAKE stats (type/ave/delta/count) on step 0 2 1.0205 0.0834045 2880 2 97.2385 9.24794 960 Per MPI rank memory allocation (min/avg/max) = 12.07 | 12.07 | 12.08 Mbytes Step v_time Press Volume v_sysdensity Temp E_bond E_angle E_dihed E_impro E_vdwl E_coul E_tail E_long PotEng KinEng 0 1e-06 1983.4223 37204.662 1.6314719 397.63453 45.7111 214.21525 0 0 15684.565 -17265.717 -139.55284 -130723.88 -132045.1 3412.4009 SHAKE stats (type/ave/delta/count) on step 50000 2 0.969996 0.000353618 2880 2 103.701 0.0390417 960 SHAKE stats (type/ave/delta/count) on step 100000 2 0.969973 0.000109907 2880 2 103.7 0.0126873 960 SHAKE stats (type/ave/delta/count) on step 150000 2 0.97004 0.00035603 2880 2 103.702 0.0372107 960 SHAKE stats (type/ave/delta/count) on step 200000 2 0.970003 0.000343119 2880 2 103.701 0.0366009 960 SHAKE stats (type/ave/delta/count) on step 250000 2 0.969976 8.81825e-05 2880 2 103.7 0.0099562 960 SHAKE stats (type/ave/delta/count) on step 300000 2 0.970009 0.000515286 2880 2 103.698 0.0542288 960 SHAKE stats (type/ave/delta/count) on step 350000 2 0.969927 0.000361076 2880 2 103.7 0.0398668 960 SHAKE stats (type/ave/delta/count) on step 400000 2 0.970057 0.000128566 2880 2 103.7 0.0144196 960 SHAKE stats (type/ave/delta/count) on step 450000 2 0.969946 6.98356e-05 2880 2 103.7 0.00737874 960 SHAKE stats (type/ave/delta/count) on step 500000 2 0.969999 0.000301238 2880 2 103.698 0.0331963 960 SHAKE stats (type/ave/delta/count) on step 550000 2 0.970063 0.000144109 2880 2 103.699 0.016288 960 SHAKE stats (type/ave/delta/count) on step 600000 2 0.969883 0.000275688 2880 2 103.7 0.0312159 960 SHAKE stats (type/ave/delta/count) on step 650000 2 0.969994 0.000276527 2880 2 103.699 0.0304371 960 SHAKE stats (type/ave/delta/count) on step 700000 2 0.970029 0.000282122 2880 2 103.699 0.0314201 960 SHAKE stats (type/ave/delta/count) on step 750000 2 0.96998 0.000166841 2880 2 103.699 0.0184641 960 SHAKE stats (type/ave/delta/count) on step 800000 2 0.970095 0.000150194 2880 2 103.7 0.0168623 960 SHAKE stats (type/ave/delta/count) on step 850000 2 0.969987 0.000371802 2880 2 103.698 0.0387793 960 SHAKE stats (type/ave/delta/count) on step 900000 2 0.970042 0.000256201 2880 2 103.701 0.0278874 960 SHAKE stats (type/ave/delta/count) on step 950000 2 0.970092 0.00040263 2880 2 103.701 0.0459694 960 SHAKE stats (type/ave/delta/count) on step 1000000 2 0.969975 0.000570303 2880 2 103.699 0.0644827 960 SHAKE stats (type/ave/delta/count) on step 1050000 2 0.970075 0.000147628 2880 2 103.7 0.0165677 960 SHAKE stats (type/ave/delta/count) on step 1100000 2 0.970068 0.000284997 2880 2 103.7 0.032245 960 SHAKE stats (type/ave/delta/count) on step 1150000 2 0.969949 0.000142619 2880 2 103.701 0.015654 960 SHAKE stats (type/ave/delta/count) on step 1200000 2 0.969974 0.000205385 2880 2 103.701 0.023331 960 SHAKE stats (type/ave/delta/count) on step 1250000 2 0.970119 0.000230059 2880 2 103.7 0.0257952 960 SHAKE stats (type/ave/delta/count) on step 1300000 2 0.970062 0.000374119 2880 2 103.699 0.0420871 960 SHAKE stats (type/ave/delta/count) on step 1350000 2 0.969896 0.000135735 2880 2 103.699 0.0152515 960 SHAKE stats (type/ave/delta/count) on step 1400000 2 0.969993 0.000209908 2880 2 103.699 0.0232773 960 SHAKE stats (type/ave/delta/count) on step 1450000 2 0.969921 0.000501275 2880 2 103.7 0.0571826 960 SHAKE stats (type/ave/delta/count) on step 1500000 2 0.969992 5.44492e-05 2880 2 103.7 0.00613643 960 SHAKE stats (type/ave/delta/count) on step 1550000 2 0.970039 0.000343097 2880 2 103.701 0.0389612 960 SHAKE stats (type/ave/delta/count) on step 1600000 2 0.970012 0.00043845 2880 2 103.698 0.0484996 960 SHAKE stats (type/ave/delta/count) on step 1650000 2 0.969864 0.000442381 2880 2 103.698 0.0468566 960 SHAKE stats (type/ave/delta/count) on step 1700000 2 0.970157 0.000210304 2880 2 103.699 0.023608 960 SHAKE stats (type/ave/delta/count) on step 1750000 2 0.97001 0.000193617 2880 2 103.699 0.0205108 960 SHAKE stats (type/ave/delta/count) on step 1800000 2 0.969895 0.000278382 2880 2 103.7 0.0315066 960 SHAKE stats (type/ave/delta/count) on step 1850000 2 0.96991 0.000227315 2880 2 103.699 0.0263534 960 SHAKE stats (type/ave/delta/count) on step 1900000 2 0.970014 0.000102065 2880 2 103.7 0.0114613 960 SHAKE stats (type/ave/delta/count) on step 1950000 2 0.969974 0.000368454 2880 2 103.699 0.0422632 960 SHAKE stats (type/ave/delta/count) on step 2000000 2 0.969961 0.000373675 2880 2 103.698 0.0399128 960 2000000 2000000 933.18167 33873.415 1.7919174 296.19128 267.98997 326.08558 0 0 13090.758 -8277.6998 -153.27703 -130742.68 -125335.54 2541.8402 Loop time of 8448.68 on 32 procs for 2000000 steps with 3840 atoms Performance: 20.453 ns/day, 1.173 hours/ns, 236.723 timesteps/s 99.4% CPU use with 32 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 4249.3 | 4522.2 | 4674.4 | 153.3 | 53.53 Bond | 10.218 | 11.548 | 12.893 | 18.7 | 0.14 Kspace | 1560.7 | 1708 | 1975.1 | 251.5 | 20.22 Neigh | 295.48 | 295.82 | 296.59 | 1.7 | 3.50 Comm | 782.84 | 790.65 | 803.2 | 20.0 | 9.36 Output | 0.0063347 | 0.0077849 | 0.0091475 | 1.0 | 0.00 Modify | 997.55 | 1034 | 1067.3 | 92.7 | 12.24 Other | | 86.56 | | | 1.02 Nlocal: 120 ave 126 max 110 min Histogram: 2 0 2 3 2 2 5 7 7 2 Nghost: 6257.59 ave 6302 max 6192 min Histogram: 2 1 1 2 5 4 6 2 6 3 Neighs: 78099.3 ave 81834 max 70824 min Histogram: 2 0 1 3 2 2 4 7 7 4 Total # of neighbors = 2499177 Ave neighs/atom = 650.82734 Ave special neighs/atom = 2.3333333 Neighbor list builds = 86880 Dangerous builds = 0 undump sci restart 0 dump sci all custom 2000000 2.4.xyz id mol type q xs ys zs run 0 PPPM initialization ... using 12-bit tables for long-range coulomb (../kspace.cpp:340) G vector (1/distance) = 0.26459782 grid = 27 36 24 stencil order = 5 estimated absolute RMS force accuracy = 0.0026336514 estimated relative force accuracy = 7.9311631e-06 using double precision KISS FFT 3d grid and FFT values/proc = 4256 810 generated 0 of 10 mixed pair_coeff terms from sixthpower mixing rule Setting up Verlet run ... Unit style : real Current step : 2000000 Time step : 1 SHAKE stats (type/ave/delta/count) on step 2000000 2 0.969961 0.000373675 2880 2 103.698 0.0399128 960 Per MPI rank memory allocation (min/avg/max) = 12.07 | 12.09 | 12.28 Mbytes Step v_time Press Volume v_sysdensity Temp E_bond E_angle E_dihed E_impro E_vdwl E_coul E_tail E_long PotEng KinEng 2000000 2000000 700.58624 33873.415 1.7919174 296.19128 267.98997 326.08558 0 0 13090.758 -7601.4348 -153.27703 -131418.95 -125335.55 2541.8402 Loop time of 6.58103e-06 on 32 procs for 0 steps with 3840 atoms 120.1% CPU use with 32 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Bond | 0 | 0 | 0 | 0.0 | 0.00 Kspace | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 6.581e-06 | | |100.00 Nlocal: 120 ave 126 max 110 min Histogram: 2 0 2 3 2 2 5 7 7 2 Nghost: 6257.59 ave 6302 max 6192 min Histogram: 2 1 1 2 5 4 6 2 6 3 Neighs: 78099.3 ave 81834 max 70824 min Histogram: 2 0 1 3 2 2 4 7 7 4 Total # of neighbors = 2499177 Ave neighs/atom = 650.82734 Ave special neighs/atom = 2.3333333 Neighbor list builds = 0 Dangerous builds = 0 undump sci unfix 1 unfix 2 unfix 3 unfix shaken Total wall time: 2:20:53