Files
lammps/examples/granular/log.4Feb25.triaxial.compaction.12.g++.1
2025-04-15 17:34:46 -06:00

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56 KiB
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LAMMPS (4 Feb 2025 - Development - patch_5May2020-22356-g0c29a0a0c9-modified)
############################### SIMULATION SETTINGS ###################################################
atom_style sphere 1
atom_modify map array
comm_modify vel yes
units si
newton off
neighbor 2 bin
neigh_modify delay 0
timestep 1e-6
##################### SIMULATION BOUNDING BOX, INSERT PARTICLES, AND INTEGRATION #######################
boundary f f f
read_data spheres12.data
Reading data file ...
orthogonal box = (-10 -10 -10) to (10 10 10)
1 by 1 by 1 MPI processor grid
reading atoms ...
12 atoms
read_data CPU = 0.029 seconds
fix integr all nve/sphere
# create pair group for contact area outputs
group particles_1_12 id 1 12
2 atoms in group particles_1_12
########################### PARTICLE MATERIAL PROPERTIES AND FORCE MODEL ###############################
variable atomRadius equal 0.5
pair_style granular
# mdr = E, nu, Y, gamma, psi_b, damp
variable YoungsModulus equal 1e9
variable PoissonsRatio equal 0.3
variable YieldStress equal 50e6
variable SurfaceEnergy equal 0.0
variable psi_b equal 0.5
variable damp equal 0.2
variable damp_type equal 1
# linear_history = k_t, x_gamma,t, mu_s
variable kt equal 2/7*${YoungsModulus}*${atomRadius}
variable kt equal 2/7*1000000000*${atomRadius}
variable kt equal 2/7*1000000000*0.5
variable xgammat equal 0.0
variable mu_s equal 0.5
pair_coeff * * mdr ${YoungsModulus} ${PoissonsRatio} ${YieldStress} ${SurfaceEnergy} ${psi_b} ${damp} damping mdr ${damp_type} tangential linear_history ${kt} ${xgammat} ${mu_s}
pair_coeff * * mdr 1000000000 ${PoissonsRatio} ${YieldStress} ${SurfaceEnergy} ${psi_b} ${damp} damping mdr ${damp_type} tangential linear_history ${kt} ${xgammat} ${mu_s}
pair_coeff * * mdr 1000000000 0.3 ${YieldStress} ${SurfaceEnergy} ${psi_b} ${damp} damping mdr ${damp_type} tangential linear_history ${kt} ${xgammat} ${mu_s}
pair_coeff * * mdr 1000000000 0.3 50000000 ${SurfaceEnergy} ${psi_b} ${damp} damping mdr ${damp_type} tangential linear_history ${kt} ${xgammat} ${mu_s}
pair_coeff * * mdr 1000000000 0.3 50000000 0 ${psi_b} ${damp} damping mdr ${damp_type} tangential linear_history ${kt} ${xgammat} ${mu_s}
pair_coeff * * mdr 1000000000 0.3 50000000 0 0.5 ${damp} damping mdr ${damp_type} tangential linear_history ${kt} ${xgammat} ${mu_s}
pair_coeff * * mdr 1000000000 0.3 50000000 0 0.5 0.2 damping mdr ${damp_type} tangential linear_history ${kt} ${xgammat} ${mu_s}
pair_coeff * * mdr 1000000000 0.3 50000000 0 0.5 0.2 damping mdr 1 tangential linear_history ${kt} ${xgammat} ${mu_s}
pair_coeff * * mdr 1000000000 0.3 50000000 0 0.5 0.2 damping mdr 1 tangential linear_history 142857142.857143 ${xgammat} ${mu_s}
pair_coeff * * mdr 1000000000 0.3 50000000 0 0.5 0.2 damping mdr 1 tangential linear_history 142857142.857143 0 ${mu_s}
pair_coeff * * mdr 1000000000 0.3 50000000 0 0.5 0.2 damping mdr 1 tangential linear_history 142857142.857143 0 0.5
######################################### ADD IN PLANES ################################################
variable boxWidth equal 3
variable halfBoxWidth equal ${boxWidth}/2
variable halfBoxWidth equal 3/2
variable plane_disp equal 0.0
variable plane_disp_neg equal 0.0
region plane_yz_pos plane ${halfBoxWidth} 0 0 -1 0 0 side in move v_plane_disp_neg NULL NULL units box
region plane_yz_pos plane 1.5 0 0 -1 0 0 side in move v_plane_disp_neg NULL NULL units box
region plane_yz_neg plane -${halfBoxWidth} 0 0 1 0 0 side in move v_plane_disp NULL NULL units box
region plane_yz_neg plane -1.5 0 0 1 0 0 side in move v_plane_disp NULL NULL units box
region plane_xz_pos plane 0 ${halfBoxWidth} 0 0 -1 0 side in move NULL v_plane_disp_neg NULL units box
region plane_xz_pos plane 0 1.5 0 0 -1 0 side in move NULL v_plane_disp_neg NULL units box
region plane_xz_neg plane 0 -${halfBoxWidth} 0 0 1 0 side in move NULL v_plane_disp NULL units box
region plane_xz_neg plane 0 -1.5 0 0 1 0 side in move NULL v_plane_disp NULL units box
region plane_xy_pos plane 0 0 ${halfBoxWidth} 0 0 -1 side in move NULL NULL v_plane_disp_neg units box
region plane_xy_pos plane 0 0 1.5 0 0 -1 side in move NULL NULL v_plane_disp_neg units box
region plane_xy_neg plane 0 0 -${halfBoxWidth} 0 0 1 side in move NULL NULL v_plane_disp units box
region plane_xy_neg plane 0 0 -1.5 0 0 1 side in move NULL NULL v_plane_disp units box
variable wall_contact_string string "granular mdr ${YoungsModulus} ${PoissonsRatio} ${YieldStress} ${SurfaceEnergy} ${psi_b} ${damp} damping mdr ${damp_type} tangential linear_history ${kt} ${xgammat} ${mu_s} "
granular mdr 1000000000 ${PoissonsRatio} ${YieldStress} ${SurfaceEnergy} ${psi_b} ${damp} damping mdr ${damp_type} tangential linear_history ${kt} ${xgammat} ${mu_s}
granular mdr 1000000000 0.3 ${YieldStress} ${SurfaceEnergy} ${psi_b} ${damp} damping mdr ${damp_type} tangential linear_history ${kt} ${xgammat} ${mu_s}
granular mdr 1000000000 0.3 50000000 ${SurfaceEnergy} ${psi_b} ${damp} damping mdr ${damp_type} tangential linear_history ${kt} ${xgammat} ${mu_s}
granular mdr 1000000000 0.3 50000000 0 ${psi_b} ${damp} damping mdr ${damp_type} tangential linear_history ${kt} ${xgammat} ${mu_s}
granular mdr 1000000000 0.3 50000000 0 0.5 ${damp} damping mdr ${damp_type} tangential linear_history ${kt} ${xgammat} ${mu_s}
granular mdr 1000000000 0.3 50000000 0 0.5 0.2 damping mdr ${damp_type} tangential linear_history ${kt} ${xgammat} ${mu_s}
granular mdr 1000000000 0.3 50000000 0 0.5 0.2 damping mdr 1 tangential linear_history ${kt} ${xgammat} ${mu_s}
granular mdr 1000000000 0.3 50000000 0 0.5 0.2 damping mdr 1 tangential linear_history 142857142.857143 ${xgammat} ${mu_s}
granular mdr 1000000000 0.3 50000000 0 0.5 0.2 damping mdr 1 tangential linear_history 142857142.857143 0 ${mu_s}
granular mdr 1000000000 0.3 50000000 0 0.5 0.2 damping mdr 1 tangential linear_history 142857142.857143 0 0.5
fix plane_yz_pos all wall/gran/region ${wall_contact_string} region plane_yz_pos contacts
fix plane_yz_pos all wall/gran/region granular mdr 1000000000 0.3 50000000 0 0.5 0.2 damping mdr 1 tangential linear_history 142857142.857143 0 0.5 region plane_yz_pos contacts
fix plane_yz_neg all wall/gran/region ${wall_contact_string} region plane_yz_neg contacts
fix plane_yz_neg all wall/gran/region granular mdr 1000000000 0.3 50000000 0 0.5 0.2 damping mdr 1 tangential linear_history 142857142.857143 0 0.5 region plane_yz_neg contacts
fix plane_xz_pos all wall/gran/region ${wall_contact_string} region plane_xz_pos contacts
fix plane_xz_pos all wall/gran/region granular mdr 1000000000 0.3 50000000 0 0.5 0.2 damping mdr 1 tangential linear_history 142857142.857143 0 0.5 region plane_xz_pos contacts
fix plane_xz_neg all wall/gran/region ${wall_contact_string} region plane_xz_neg contacts
fix plane_xz_neg all wall/gran/region granular mdr 1000000000 0.3 50000000 0 0.5 0.2 damping mdr 1 tangential linear_history 142857142.857143 0 0.5 region plane_xz_neg contacts
fix plane_xy_pos all wall/gran/region ${wall_contact_string} region plane_xy_pos contacts
fix plane_xy_pos all wall/gran/region granular mdr 1000000000 0.3 50000000 0 0.5 0.2 damping mdr 1 tangential linear_history 142857142.857143 0 0.5 region plane_xy_pos contacts
fix plane_xy_neg all wall/gran/region ${wall_contact_string} region plane_xy_neg contacts
fix plane_xy_neg all wall/gran/region granular mdr 1000000000 0.3 50000000 0 0.5 0.2 damping mdr 1 tangential linear_history 142857142.857143 0 0.5 region plane_xy_neg contacts
compute plane_xy_neg_force all reduce sum f_plane_xy_neg[4]
variable plane_xy_neg_force equal c_plane_xy_neg_force
compute plane_xz_neg_force all reduce sum f_plane_xz_neg[3]
variable plane_xz_neg_force equal c_plane_xz_neg_force
compute plane_yz_neg_force all reduce sum f_plane_yz_neg[2]
variable plane_yz_neg_force equal c_plane_yz_neg_force
#fix print1 all print 1 "${plane_disp} ${plane_xy_neg_force} ${plane_xz_neg_force} ${plane_yz_neg_force}" file force_disp_triaxial12.csv screen no
######################################## SCREEN OUTPUT ####################################################
compute 1 all erotate/sphere
thermo_style custom dt step atoms ke c_1 vol
thermo 100
thermo_modify lost ignore norm no
##################################### DEFINE WALL MOVEMENT #################################################
variable disp_max equal 0.499
variable ddisp equal 0.00001
variable compression_steps equal round(${disp_max}/${ddisp})
variable compression_steps equal round(0.499/${ddisp})
variable compression_steps equal round(0.499/1e-05)
variable output_rate equal round(${compression_steps}/100)
variable output_rate equal round(49900/100)
##################################### SET UP DUMP OUTPUTS ####################################################
#dump dumpParticles all custom ${output_rate} triaxial_compaction_12.dump id type mass x y z vx vy vz fx fy fz radius
#dump dmp all vtk ${output_rate} post/triaxial12particles_*.vtk id type mass x y z vx vy vz fx fy fz radius
#################################### COMPRESS THE PARTICLES ##################################################
run 0
CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE
Your simulation uses code contributions which should be cited:
- MDR contact model command: (i) https://doi.org/10.1016/j.jmps.2023.105492 || (ii) https://doi.org/10.1016/j.jmps.2023.105493 || (iii) https://doi.org/10.31224/4289
@Article{zunker2024mechanicallyI,
author = {Zunker, William and Kamrin, Ken},
title = {A mechanically-derived contact model for adhesive elastic-perfectly plastic particles,
Part I: Utilizing the method of dimensionality reduction},
journal = {Journal of the Mechanics and Physics of Solids},
year = {2024},
volume = {183},
pages = {105492},
}
@Article{zunker2024mechanicallyII,
author = {Zunker, William and Kamrin, Ken},
title = {A mechanically-derived contact model for adhesive elastic-perfectly plastic particles,
Part II: Contact under high compaction—modeling a bulk elastic response},
journal = {Journal of the Mechanics and Physics of Solids},
year = {2024},
volume = {183},
pages = {105493},
}
@Article{zunker2025experimentally,
author = {Zunker, William and Dunatunga, Sachith and Thakur, Subhash and Tang, Pingjun and Kamrin, Ken},
title = {Experimentally validated DEM for large deformation powder compaction:
mechanically-derived contact model and screening of non-physical contacts},
journal = {Powder Technology},
year = {2025},
pages = {120972},
}
CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE
Generated 0 of 0 mixed pair_coeff terms from geometric 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 = 3.2
ghost atom cutoff = 3.2
binsize = 1.6, bins = 13 13 13
1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair granular, perpetual
attributes: half, newton off, size, history
pair build: half/size/bin/atomonly/newtoff
stencil: full/bin/3d
bin: standard
Per MPI rank memory allocation (min/avg/max) = 74.54 | 74.54 | 74.54 Mbytes
Dt Step Atoms KinEng c_1 Volume
1e-06 0 12 0 0 8000
Loop time of 8.28e-07 on 1 procs for 0 steps with 12 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 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 | | 8.28e-07 | | |100.00
Nlocal: 12 ave 12 max 12 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 66 ave 66 max 66 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 66
Ave neighs/atom = 5.5
Neighbor list builds = 0
Dangerous builds = 0
# print out contact area evolution for particles 1 and 12
compute Ac_1_12 particles_1_12 pair/local p13 cutoff radius
compute Ac_1_12_sum particles_1_12 reduce sum c_Ac_1_12 inputs local
variable Ac_1_12 equal c_Ac_1_12_sum
#fix logArea all print 100 "${plane_disp} ${Ac_1_12}" file pair_1_12_contact_area_triaxial12.csv screen no
variable plane_disp equal ${ddisp}*elapsed
variable plane_disp equal 1e-05*elapsed
variable plane_disp_neg equal -${ddisp}*elapsed
variable plane_disp_neg equal -1e-05*elapsed
run ${compression_steps}
run 49900
Generated 0 of 0 mixed pair_coeff terms from geometric 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 = 3.2
ghost atom cutoff = 3.2
binsize = 1.6, bins = 13 13 13
2 neighbor lists, perpetual/occasional/extra = 1 1 0
(1) pair granular, perpetual
attributes: half, newton off, size, history
pair build: half/size/bin/atomonly/newtoff
stencil: full/bin/3d
bin: standard
(2) compute pair/local, occasional
attributes: half, newton off, size
pair build: half/size/bin/atomonly/newtoff
stencil: full/bin/3d
bin: standard
Per MPI rank memory allocation (min/avg/max) = 75.17 | 75.17 | 75.17 Mbytes
Dt Step Atoms KinEng c_1 Volume
1e-06 0 12 0 0 8000
1e-06 100 12 0.063728867 0 8000
1e-06 200 12 0.79328888 0 8000
1e-06 300 12 3.1671095 0 8000
1e-06 400 12 8.7248683 0 8000
1e-06 500 12 20.158012 0 8000
1e-06 600 12 41.157061 0 8000
1e-06 700 12 76.628872 0 8000
1e-06 800 12 132.88829 0 8000
1e-06 900 12 217.80403 0 8000
1e-06 1000 12 340.91325 0 8000
1e-06 1100 12 513.50254 0 8000
1e-06 1200 12 748.65202 0 8000
1e-06 1300 12 1061.2394 0 8000
1e-06 1400 12 1467.9017 0 8000
1e-06 1500 12 1986.9524 0 8000
1e-06 1600 12 2638.2542 0 8000
1e-06 1700 12 3443.0464 0 8000
1e-06 1800 12 4423.728 0 8000
1e-06 1900 12 5603.6004 0 8000
1e-06 2000 12 7006.5697 0 8000
1e-06 2100 12 8656.8153 0 8000
1e-06 2200 12 10575.061 0.00041930161 8000
1e-06 2300 12 12776.34 0.031472922 8000
1e-06 2400 12 15285.834 0.16547279 8000
1e-06 2500 12 18123.472 0.48824818 8000
1e-06 2600 12 21306.73 1.1172148 8000
1e-06 2700 12 24850.635 2.2101203 8000
1e-06 2800 12 28767.448 3.9742876 8000
1e-06 2900 12 33066.341 6.6765245 8000
1e-06 3000 12 37753.104 10.653677 8000
1e-06 3100 12 42829.905 16.323673 8000
1e-06 3200 12 48295.143 24.196804 8000
1e-06 3300 12 54143.784 34.886968 8000
1e-06 3400 12 60367.427 49.122473 8000
1e-06 3500 12 66954.459 67.756017 8000
1e-06 3600 12 73890.367 91.773371 8000
1e-06 3700 12 81158.051 122.30029 8000
1e-06 3800 12 88738.15 160.60714 8000
1e-06 3900 12 96609.374 208.11075 8000
1e-06 4000 12 104748.82 266.37305 8000
1e-06 4100 12 113132.27 337.09603 8000
1e-06 4200 12 121734.46 422.11267 8000
1e-06 4300 12 130529.26 523.37361 8000
1e-06 4400 12 139489.96 642.8869 8000
1e-06 4500 12 148590.48 781.76659 8000
1e-06 4600 12 157805.54 939.73777 8000
1e-06 4700 12 167102.78 1115.3765 8000
1e-06 4800 12 176408.3 1304.8823 8000
1e-06 4900 12 185727.22 1506.1791 8000
1e-06 5000 12 195037.08 1715.5141 8000
1e-06 5100 12 204311.37 1928.3496 8000
1e-06 5200 12 213522.05 2139.6607 8000
1e-06 5300 12 222640.01 2344.2078 8000
1e-06 5400 12 231635.3 2536.8271 8000
1e-06 5500 12 240477.26 2712.7272 8000
1e-06 5600 12 249036.18 2865.4067 8000
1e-06 5700 12 257225.21 2990.2307 8000
1e-06 5800 12 265107.22 3088.4777 8000
1e-06 5900 12 272662.78 3160.202 8000
1e-06 6000 12 279867.43 3206.6334 8000
1e-06 6100 12 286696.38 3230.2607 8000
1e-06 6200 12 293126.06 3234.7442 8000
1e-06 6300 12 299135.09 3224.7366 8000
1e-06 6400 12 304704.84 3205.6378 8000
1e-06 6500 12 309820.07 3183.3082 8000
1e-06 6600 12 314469.34 3163.76 8000
1e-06 6700 12 318645.43 3152.8517 8000
1e-06 6800 12 322345.74 3156.004 8000
1e-06 6900 12 325572.61 3177.9574 8000
1e-06 7000 12 328333.69 3222.5849 8000
1e-06 7100 12 330642.36 3292.7692 8000
1e-06 7200 12 332518.34 3390.3494 8000
1e-06 7300 12 333988.86 3516.133 8000
1e-06 7400 12 335091.17 3669.9688 8000
1e-06 7500 12 335881.45 3850.8676 8000
1e-06 7600 12 336541.99 4057.1561 8000
1e-06 7700 12 337100.25 4286.6487 8000
1e-06 7800 12 337436.07 4536.819 8000
1e-06 7900 12 337576.23 4804.9572 8000
1e-06 8000 12 337553.74 5088.3001 8000
1e-06 8100 12 337412.69 5384.125 8000
1e-06 8200 12 337266.12 5689.8034 8000
1e-06 8300 12 337141.16 6002.815 8000
1e-06 8400 12 336990.23 6320.7444 8000
1e-06 8500 12 336832.35 6645.3584 8000
1e-06 8600 12 336684.67 6980.6347 8000
1e-06 8700 12 336479.86 7317.4769 8000
1e-06 8800 12 336286.29 7653.1265 8000
1e-06 8900 12 336134.3 7982.859 8000
1e-06 9000 12 336043.31 8307.1796 8000
1e-06 9100 12 336035 8626.669 8000
1e-06 9200 12 336134.55 8942.2162 8000
1e-06 9300 12 336370.73 9254.9724 8000
1e-06 9400 12 336775.97 9566.1537 8000
1e-06 9500 12 337386.26 9876.5005 8000
1e-06 9600 12 338238.87 10185.038 8000
1e-06 9700 12 339373.93 10490.42 8000
1e-06 9800 12 340832.84 10792.816 8000
1e-06 9900 12 342649.99 11091.69 8000
1e-06 10000 12 344857.32 11386.232 8000
1e-06 10100 12 347498.52 11676.525 8000
1e-06 10200 12 350625.53 11966.038 8000
1e-06 10300 12 354228.27 12250.382 8000
1e-06 10400 12 358314.64 12529.915 8000
1e-06 10500 12 362887.71 12806.586 8000
1e-06 10600 12 367944.26 13083.935 8000
1e-06 10700 12 373508.47 13375.901 8000
1e-06 10800 12 379544.75 13682.748 8000
1e-06 10900 12 385955.58 13992.431 8000
1e-06 11000 12 392687 14307.793 8000
1e-06 11100 12 399676.01 14631.631 8000
1e-06 11200 12 406851.99 14966.316 8000
1e-06 11300 12 414139.37 15312.299 8000
1e-06 11400 12 421458.35 15668.76 8000
1e-06 11500 12 428725.85 16034.567 8000
1e-06 11600 12 435860.63 16408.01 8000
1e-06 11700 12 442914.03 16784.22 8000
1e-06 11800 12 449956.98 17165.7 8000
1e-06 11900 12 456943.52 17548.894 8000
1e-06 12000 12 463832.6 17927.761 8000
1e-06 12100 12 470563.99 18302.718 8000
1e-06 12200 12 477048.89 18678.218 8000
1e-06 12300 12 483212.97 19059.367 8000
1e-06 12400 12 489085.23 19458.596 8000
1e-06 12500 12 494661.19 19885.306 8000
1e-06 12600 12 499940 20344.66 8000
1e-06 12700 12 504927.83 20838.53 8000
1e-06 12800 12 509641.24 21366.554 8000
1e-06 12900 12 514117.28 21934.019 8000
1e-06 13000 12 518378.2 22538.416 8000
1e-06 13100 12 522458.77 23167.62 8000
1e-06 13200 12 525853.3 23780.032 8000
1e-06 13300 12 528815.22 24345.078 8000
1e-06 13400 12 531513.34 24883.702 8000
1e-06 13500 12 534014.75 25400.482 8000
1e-06 13600 12 536357.43 25891.923 8000
1e-06 13700 12 538572.95 26355.972 8000
1e-06 13800 12 540657.99 26795.836 8000
1e-06 13900 12 542612.1 27223.435 8000
1e-06 14000 12 544466.84 27647.413 8000
1e-06 14100 12 546241.59 28080.229 8000
1e-06 14200 12 547953.9 28538.741 8000
1e-06 14300 12 549620.46 29043.928 8000
1e-06 14400 12 551260.1 29617.65 8000
1e-06 14500 12 552886.91 30280.697 8000
1e-06 14600 12 554517.93 31050.292 8000
1e-06 14700 12 556175.17 31938.659 8000
1e-06 14800 12 557897.11 32951.814 8000
1e-06 14900 12 559696.65 34092.387 8000
1e-06 15000 12 561564.33 35360.561 8000
1e-06 15100 12 563512.54 36749.828 8000
1e-06 15200 12 565557.63 38246.838 8000
1e-06 15300 12 567718.92 39832.256 8000
1e-06 15400 12 569910.41 41477.599 8000
1e-06 15500 12 572038.38 43132.458 8000
1e-06 15600 12 573913.47 44763.446 8000
1e-06 15700 12 575651.62 46334.905 8000
1e-06 15800 12 577306.75 47812.828 8000
1e-06 15900 12 578897.86 49166.374 8000
1e-06 16000 12 580431.98 50370.863 8000
1e-06 16100 12 581917.67 51410.025 8000
1e-06 16200 12 583392.37 52290.363 8000
1e-06 16300 12 584896.54 53001.616 8000
1e-06 16400 12 586445.21 53535.481 8000
1e-06 16500 12 588052.51 53896.917 8000
1e-06 16600 12 589732.17 54102.867 8000
1e-06 16700 12 591496.83 54180.423 8000
1e-06 16800 12 593357.37 54163.728 8000
1e-06 16900 12 595249.77 54088.894 8000
1e-06 17000 12 597130.72 53987.792 8000
1e-06 17100 12 598744.15 53852.584 8000
1e-06 17200 12 600057.69 53662.064 8000
1e-06 17300 12 601263.08 53505.031 8000
1e-06 17400 12 602411.57 53452.104 8000
1e-06 17500 12 603541.22 53553.609 8000
1e-06 17600 12 604067.01 53875.668 8000
1e-06 17700 12 602571.09 54490.575 8000
1e-06 17800 12 600292.75 55434.526 8000
1e-06 17900 12 597386.86 56736.273 8000
1e-06 18000 12 593981.08 58424.745 8000
1e-06 18100 12 590178.8 60527.06 8000
1e-06 18200 12 586056.65 63073.313 8000
1e-06 18300 12 581695.18 66084.237 8000
1e-06 18400 12 577195.63 69560.379 8000
1e-06 18500 12 572657.32 73490.56 8000
1e-06 18600 12 568173.86 77853.568 8000
1e-06 18700 12 563830.46 82617.321 8000
1e-06 18800 12 559701.49 87738.316 8000
1e-06 18900 12 555848.76 93162.955 8000
1e-06 19000 12 552088.23 98803.436 8000
1e-06 19100 12 548185.32 104427.42 8000
1e-06 19200 12 544535.46 110064.18 8000
1e-06 19300 12 541228.34 115757.05 8000
1e-06 19400 12 538293.89 121467.69 8000
1e-06 19500 12 535108.7 127127.41 8000
1e-06 19600 12 531413.61 132495.98 8000
1e-06 19700 12 527729.51 137678.56 8000
1e-06 19800 12 524151.76 142754.02 8000
1e-06 19900 12 520715.23 147730.68 8000
1e-06 20000 12 517436.17 152621.73 8000
1e-06 20100 12 514316.17 157423.95 8000
1e-06 20200 12 511400.64 162074.69 8000
1e-06 20300 12 508692.38 166497.97 8000
1e-06 20400 12 506153.1 170617.84 8000
1e-06 20500 12 503717.78 174351.25 8000
1e-06 20600 12 501293.63 177615.72 8000
1e-06 20700 12 498966.36 180365.82 8000
1e-06 20800 12 496760.02 182555.39 8000
1e-06 20900 12 494705.8 184132.07 8000
1e-06 21000 12 492841.84 185052.2 8000
1e-06 21100 12 491215.97 185288.72 8000
1e-06 21200 12 489677.84 184786.05 8000
1e-06 21300 12 488104.26 183535.77 8000
1e-06 21400 12 486394.75 181560.76 8000
1e-06 21500 12 484603.38 178874.58 8000
1e-06 21600 12 482731.75 175610.89 8000
1e-06 21700 12 480707.38 172071.04 8000
1e-06 21800 12 478504.9 168244.44 8000
1e-06 21900 12 476099.5 164130.08 8000
1e-06 22000 12 473401.48 159927.13 8000
1e-06 22100 12 470370.26 155762.08 8000
1e-06 22200 12 467067.88 151634.35 8000
1e-06 22300 12 463485.76 147589.77 8000
1e-06 22400 12 459593.94 143696.49 8000
1e-06 22500 12 455376.67 140035.23 8000
1e-06 22600 12 450819.48 136692.31 8000
1e-06 22700 12 445945.91 133704.47 8000
1e-06 22800 12 440758.89 131179.35 8000
1e-06 22900 12 435302.31 129342.22 8000
1e-06 23000 12 429598.98 128282.87 8000
1e-06 23100 12 423606.11 127995.47 8000
1e-06 23200 12 417364.51 128494.32 8000
1e-06 23300 12 410931.48 129772.21 8000
1e-06 23400 12 404376.34 131791.95 8000
1e-06 23500 12 397794.05 134484.8 8000
1e-06 23600 12 390990.06 137778.07 8000
1e-06 23700 12 384162.26 141638.59 8000
1e-06 23800 12 377636.5 145932.03 8000
1e-06 23900 12 371606.04 150514.72 8000
1e-06 24000 12 366266.24 155257.47 8000
1e-06 24100 12 361786.35 160026.32 8000
1e-06 24200 12 358332.56 164701.26 8000
1e-06 24300 12 356060.82 169171.06 8000
1e-06 24400 12 355078.48 173360.16 8000
1e-06 24500 12 355450.93 177217.02 8000
1e-06 24600 12 357219.84 180708.91 8000
1e-06 24700 12 360415.01 183807.52 8000
1e-06 24800 12 365023.77 186489.43 8000
1e-06 24900 12 371003.31 188744.64 8000
1e-06 25000 12 377719.96 190508.83 8000
1e-06 25100 12 385044.02 191723.21 8000
1e-06 25200 12 392909.32 192416.99 8000
1e-06 25300 12 401135.52 192645.59 8000
1e-06 25400 12 409539.24 192477.65 8000
1e-06 25500 12 417291.42 191761.92 8000
1e-06 25600 12 424737.36 190597.14 8000
1e-06 25700 12 431913.53 189106.01 8000
1e-06 25800 12 438736.08 187391.23 8000
1e-06 25900 12 445137.75 185551.39 8000
1e-06 26000 12 451066.87 183681.98 8000
1e-06 26100 12 456506.74 181876.3 8000
1e-06 26200 12 461444.38 180210.36 8000
1e-06 26300 12 465927.86 178746.53 8000
1e-06 26400 12 470133.57 177568.71 8000
1e-06 26500 12 474134.12 176672.99 8000
1e-06 26600 12 477972.05 176033.42 8000
1e-06 26700 12 481533.44 175580.73 8000
1e-06 26800 12 484262.56 175093.24 8000
1e-06 26900 12 486070.74 174178.51 8000
1e-06 27000 12 487322.68 173184.75 8000
1e-06 27100 12 488010.07 172084.41 8000
1e-06 27200 12 488079.27 170808.69 8000
1e-06 27300 12 487463.01 169291.88 8000
1e-06 27400 12 486083.88 167484.29 8000
1e-06 27500 12 483861.52 165357.96 8000
1e-06 27600 12 480726.55 162915.35 8000
1e-06 27700 12 476628.16 160197.08 8000
1e-06 27800 12 471546.66 157277.97 8000
1e-06 27900 12 465514.41 154256.68 8000
1e-06 28000 12 458577.33 151265.67 8000
1e-06 28100 12 450810.58 148472.95 8000
1e-06 28200 12 442311.34 146058.64 8000
1e-06 28300 12 433200.29 144179.21 8000
1e-06 28400 12 423625.66 142953.04 8000
1e-06 28500 12 413765.24 142450.35 8000
1e-06 28600 12 403817.87 142689.67 8000
1e-06 28700 12 393989.03 143646.16 8000
1e-06 28800 12 384484.33 145259.76 8000
1e-06 28900 12 375502.5 147428.86 8000
1e-06 29000 12 367250.91 150041.97 8000
1e-06 29100 12 359903.16 153002.45 8000
1e-06 29200 12 353678.89 156213.09 8000
1e-06 29300 12 348513.14 159524.58 8000
1e-06 29400 12 344408.06 162793.23 8000
1e-06 29500 12 341354.25 165860.66 8000
1e-06 29600 12 339292.66 168560.48 8000
1e-06 29700 12 338131.77 170723.76 8000
1e-06 29800 12 337633.87 172131.92 8000
1e-06 29900 12 337374.11 172433.2 8000
1e-06 30000 12 337379.48 171680.35 8000
1e-06 30100 12 337530.24 169927.53 8000
1e-06 30200 12 337706.33 167168.98 8000
1e-06 30300 12 337790.98 163426.76 8000
1e-06 30400 12 337697.64 158781.65 8000
1e-06 30500 12 337366.76 153367.47 8000
1e-06 30600 12 336755.07 147361.71 8000
1e-06 30700 12 335854.47 140976.25 8000
1e-06 30800 12 334662.2 134438.92 8000
1e-06 30900 12 333206.26 127982.95 8000
1e-06 31000 12 331464.93 121911.39 8000
1e-06 31100 12 329488.62 116351.57 8000
1e-06 31200 12 327373.17 111369.57 8000
1e-06 31300 12 325228.82 107014.37 8000
1e-06 31400 12 323169.4 103330.69 8000
1e-06 31500 12 321071.03 100385.5 8000
1e-06 31600 12 319031.38 98193.648 8000
1e-06 31700 12 317126.27 96712.557 8000
1e-06 31800 12 315438.37 95876.196 8000
1e-06 31900 12 313815.51 95565.683 8000
1e-06 32000 12 312239.38 95585.612 8000
1e-06 32100 12 310926.28 95828.27 8000
1e-06 32200 12 309948.5 96173.311 8000
1e-06 32300 12 309370.35 96442.454 8000
1e-06 32400 12 309201.18 96472.304 8000
1e-06 32500 12 309383.35 96140.953 8000
1e-06 32600 12 309865.73 95349.932 8000
1e-06 32700 12 310615.88 94029.061 8000
1e-06 32800 12 311624.15 92145.895 8000
1e-06 32900 12 312897.69 89717.564 8000
1e-06 33000 12 314451.54 86812.433 8000
1e-06 33100 12 316227.53 83544.302 8000
1e-06 33200 12 318247.7 80051.39 8000
1e-06 33300 12 320540.3 76478.862 8000
1e-06 33400 12 323095.15 72955.915 8000
1e-06 33500 12 325858.6 69576.683 8000
1e-06 33600 12 328744.8 66391.967 8000
1e-06 33700 12 331653.91 63413.798 8000
1e-06 33800 12 334464.83 60630.152 8000
1e-06 33900 12 337044.79 58019.718 8000
1e-06 34000 12 339236.01 55565.231 8000
1e-06 34100 12 340903.65 53265.034 8000
1e-06 34200 12 341925.23 51135.512 8000
1e-06 34300 12 342206.93 49222.627 8000
1e-06 34400 12 341649.35 47586.207 8000
1e-06 34500 12 340176.56 46291.105 8000
1e-06 34600 12 337667.96 45393.826 8000
1e-06 34700 12 333648.9 44922.723 8000
1e-06 34800 12 328322.97 44898.764 8000
1e-06 34900 12 321776.97 45316.954 8000
1e-06 35000 12 314135.31 46151.059 8000
1e-06 35100 12 305598.53 47348.476 8000
1e-06 35200 12 296352.23 48877.862 8000
1e-06 35300 12 286690.37 50727.291 8000
1e-06 35400 12 276916.56 52890.03 8000
1e-06 35500 12 267324.34 55346.515 8000
1e-06 35600 12 258272.27 58117.818 8000
1e-06 35700 12 250043.55 61209.498 8000
1e-06 35800 12 242858.64 64607.799 8000
1e-06 35900 12 236841.89 68268.869 8000
1e-06 36000 12 232039.2 72109.967 8000
1e-06 36100 12 228474.09 76010.069 8000
1e-06 36200 12 226115.66 79808.944 8000
1e-06 36300 12 224858.91 83318.088 8000
1e-06 36400 12 224574.55 86340.123 8000
1e-06 36500 12 225062.39 88691.698 8000
1e-06 36600 12 226104.86 90211.829 8000
1e-06 36700 12 227493.83 90797.861 8000
1e-06 36800 12 229033.4 90446.128 8000
1e-06 36900 12 230503.16 89238.368 8000
1e-06 37000 12 231859.26 87294.45 8000
1e-06 37100 12 233083.51 84767.219 8000
1e-06 37200 12 234235.94 81827.155 8000
1e-06 37300 12 235402.6 78655.588 8000
1e-06 37400 12 236702.37 75432.209 8000
1e-06 37500 12 238271.62 72343.239 8000
1e-06 37600 12 240191.8 69493.919 8000
1e-06 37700 12 242533.8 66949.307 8000
1e-06 37800 12 245357.31 64751.161 8000
1e-06 37900 12 248707.62 62935.998 8000
1e-06 38000 12 252613.72 61551.838 8000
1e-06 38100 12 257052.41 60672.572 8000
1e-06 38200 12 261959.48 60392.157 8000
1e-06 38300 12 267252.31 60809.22 8000
1e-06 38400 12 272813.05 62005.004 8000
1e-06 38500 12 278498.77 64020.387 8000
1e-06 38600 12 284150.51 66835.207 8000
1e-06 38700 12 289604.09 70354.609 8000
1e-06 38800 12 294696.3 74392.688 8000
1e-06 38900 12 299233.72 78587.64 8000
1e-06 39000 12 303148.91 82674.175 8000
1e-06 39100 12 306708.36 86536.948 8000
1e-06 39200 12 309600.62 89862.067 8000
1e-06 39300 12 311700.43 92456.711 8000
1e-06 39400 12 312846.09 94218.029 8000
1e-06 39500 12 312996.55 95123.249 8000
1e-06 39600 12 311853.31 95204.167 8000
1e-06 39700 12 309573.91 94589.061 8000
1e-06 39800 12 306120.98 93445.743 8000
1e-06 39900 12 301697.58 91905.478 8000
1e-06 40000 12 296465.51 90172.857 8000
1e-06 40100 12 290548.45 88402.41 8000
1e-06 40200 12 284112.93 86721.642 8000
1e-06 40300 12 277419.21 85394.11 8000
1e-06 40400 12 270601.67 84327.103 8000
1e-06 40500 12 263782.18 83363.209 8000
1e-06 40600 12 257075.79 82350.637 8000
1e-06 40700 12 250587.81 81169.87 8000
1e-06 40800 12 244408.86 79765.108 8000
1e-06 40900 12 238613.12 78159.356 8000
1e-06 41000 12 233263.11 76444.561 8000
1e-06 41100 12 228410.45 74765.108 8000
1e-06 41200 12 224097.82 73288.059 8000
1e-06 41300 12 220360.61 72170.137 8000
1e-06 41400 12 217228.06 71527.798 8000
1e-06 41500 12 214724.04 71415.43 8000
1e-06 41600 12 212866.32 71815.969 8000
1e-06 41700 12 211661 72645.932 8000
1e-06 41800 12 211103.8 73762.785 8000
1e-06 41900 12 211177.1 74986.705 8000
1e-06 42000 12 211607.62 76028.195 8000
1e-06 42100 12 212363.62 76700.039 8000
1e-06 42200 12 213529.03 76938.547 8000
1e-06 42300 12 215008.35 76693.739 8000
1e-06 42400 12 216674.6 75984.606 8000
1e-06 42500 12 218453.89 74873.786 8000
1e-06 42600 12 220270.22 73459.542 8000
1e-06 42700 12 222044.1 71860.203 8000
1e-06 42800 12 223693.34 70197.611 8000
1e-06 42900 12 225131.14 68583.075 8000
1e-06 43000 12 226264.5 67108.382 8000
1e-06 43100 12 227001.96 65842.14 8000
1e-06 43200 12 227259.44 64830.806 8000
1e-06 43300 12 226966.5 64102.73 8000
1e-06 43400 12 226072.23 63673.107 8000
1e-06 43500 12 224550.01 63547.892 8000
1e-06 43600 12 222400.27 63725.546 8000
1e-06 43700 12 219649.08 64198.122 8000
1e-06 43800 12 216345.77 64940.248 8000
1e-06 43900 12 212561.67 65898.806 8000
1e-06 44000 12 208386.13 66994.934 8000
1e-06 44100 12 203921.52 68131.378 8000
1e-06 44200 12 199278.14 69204.386 8000
1e-06 44300 12 194569.44 70118.481 8000
1e-06 44400 12 189909.06 70810.594 8000
1e-06 44500 12 185407.95 71268.155 8000
1e-06 44600 12 181166.51 71493.826 8000
1e-06 44700 12 177276.76 71524.448 8000
1e-06 44800 12 173823.45 71423.226 8000
1e-06 44900 12 170886.41 71262.132 8000
1e-06 45000 12 168528.37 71107.616 8000
1e-06 45100 12 166817.96 70991.562 8000
1e-06 45200 12 165820.31 70920.666 8000
1e-06 45300 12 165574.99 70863.13 8000
1e-06 45400 12 166019.37 70710.029 8000
1e-06 45500 12 167147.87 70350.412 8000
1e-06 45600 12 169082.77 69657.821 8000
1e-06 45700 12 171945.43 68520.345 8000
1e-06 45800 12 175909.9 66883.643 8000
1e-06 45900 12 181195.22 64747.392 8000
1e-06 46000 12 188023.1 62178.63 8000
1e-06 46100 12 196442.27 59308.946 8000
1e-06 46200 12 206276.92 56311.64 8000
1e-06 46300 12 217187.2 53375.161 8000
1e-06 46400 12 228713.53 50677.575 8000
1e-06 46500 12 240278.4 48364.725 8000
1e-06 46600 12 251273.01 46535.827 8000
1e-06 46700 12 261407.3 45239.704 8000
1e-06 46800 12 270264.36 44479.416 8000
1e-06 46900 12 277578.87 44223.038 8000
1e-06 47000 12 283258 44417.235 8000
1e-06 47100 12 287156.44 45000.19 8000
1e-06 47200 12 289242.87 45911.176 8000
1e-06 47300 12 289597.36 47095.056 8000
1e-06 47400 12 288380.97 48501.691 8000
1e-06 47500 12 285805.13 50081.427 8000
1e-06 47600 12 282130.22 51780.572 8000
1e-06 47700 12 277128.82 53385.936 8000
1e-06 47800 12 271407.61 54873.773 8000
1e-06 47900 12 265556.17 56217.287 8000
1e-06 48000 12 260082.32 57338.782 8000
1e-06 48100 12 255399.15 58166.789 8000
1e-06 48200 12 251785.89 58653.934 8000
1e-06 48300 12 249277.86 58789.891 8000
1e-06 48400 12 247494.11 58609.44 8000
1e-06 48500 12 245660.12 58192.865 8000
1e-06 48600 12 242968.44 57656.856 8000
1e-06 48700 12 238968.69 57140.878 8000
1e-06 48800 12 233565.17 56788.953 8000
1e-06 48900 12 227411.99 56720.334 8000
1e-06 49000 12 221053.64 57003.014 8000
1e-06 49100 12 215153.96 57629.419 8000
1e-06 49200 12 210402.16 58574.859 8000
1e-06 49300 12 207216.41 59750.238 8000
1e-06 49400 12 205860.43 61020.818 8000
1e-06 49500 12 206382.26 62237.849 8000
1e-06 49600 12 208600.44 63264.958 8000
1e-06 49700 12 212280.2 63999.734 8000
1e-06 49800 12 217167.6 64388.533 8000
1e-06 49900 12 223002.61 64430.977 8000
Loop time of 0.997677 on 1 procs for 49900 steps with 12 atoms
99.2% CPU use with 1 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.24529 | 0.24529 | 0.24529 | 0.0 | 24.59
Neigh | 0 | 0 | 0 | 0.0 | 0.00
Comm | 0.0019929 | 0.0019929 | 0.0019929 | 0.0 | 0.20
Output | 0.0024977 | 0.0024977 | 0.0024977 | 0.0 | 0.25
Modify | 0.74056 | 0.74056 | 0.74056 | 0.0 | 74.23
Other | | 0.007341 | | | 0.74
Nlocal: 12 ave 12 max 12 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 66 ave 66 max 66 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 66
Ave neighs/atom = 5.5
Neighbor list builds = 0
Dangerous builds = 0
Total wall time: 0:00:01