796 lines
52 KiB
Groff
796 lines
52 KiB
Groff
LAMMPS (4 Feb 2025 - Development - patch_5May2020-22356-g0c29a0a0c9-modified)
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##################################### SIMULATION SETTINGS ###################################################
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atom_style sphere 1
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atom_modify map array
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comm_modify vel yes
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units si
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newton off
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neighbor 1.0e-3 bin
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neigh_modify every 10 delay 60 check no
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timestep 4e-6
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#processors 2 2 1
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############################## SIMULATION BOUNDING BOX AND INSERT PARTICLES #################################
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boundary f f f
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read_data spheres200.data
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Reading data file ...
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orthogonal box = (-0.005 -0.005 -0.001) to (0.005 0.005 0.02)
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1 by 1 by 1 MPI processor grid
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reading atoms ...
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200 atoms
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read_data CPU = 0.024 seconds
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#################################### ADD DIE AND ATOM PARAMETERIZATION ######################################
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variable atomRadius equal 0.44e-3*1.25
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variable atomDiameter equal 2*${atomRadius}
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variable atomDiameter equal 2*0.00055
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variable atomDensity equal 1560
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variable atomMassAvg equal ${atomDensity}*4.0/3.0*PI*${atomRadius}^3.0
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variable atomMassAvg equal 1560*4.0/3.0*PI*${atomRadius}^3.0
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variable atomMassAvg equal 1560*4.0/3.0*PI*0.00055^3.0
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variable dieRadius equal 4e-3
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variable dieHeight equal 1e-2
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############################## PARTICLE MATERIAL PROPERTIES AND FORCE MODEL ##################################
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pair_style granular
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# mdr = E, nu, Y, gamma, psi_b, damp
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variable YoungsModulus equal 5e6
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variable YieldStress equal 1.9e5
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variable PoissonsRatio equal 0.4
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variable SurfaceEnergy equal 2
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variable SurfaceEnergyWall equal 0.0
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variable psi_b equal 0.5
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variable damp equal 0.2
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variable damp_type equal 1
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# linear_history = k_t, x_gammat, mu_s
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variable kt equal 2/7*${YoungsModulus}*${atomRadius}
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variable kt equal 2/7*5000000*${atomRadius}
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variable kt equal 2/7*5000000*0.00055
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variable kt_wall equal 2/7*${YoungsModulus}*${atomRadius}
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variable kt_wall equal 2/7*5000000*${atomRadius}
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variable kt_wall equal 2/7*5000000*0.00055
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variable xgammat equal 1.0
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variable mu_s equal 0.7
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variable mu_s_wall equal 0.1
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# sds = mu_roll, k_roll, gamma_roll
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variable mu_roll equal 0.6
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variable k_roll equal 2.25*${mu_roll}*${mu_roll}*${YoungsModulus}*${atomRadius}
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variable k_roll equal 2.25*0.6*${mu_roll}*${YoungsModulus}*${atomRadius}
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variable k_roll equal 2.25*0.6*0.6*${YoungsModulus}*${atomRadius}
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variable k_roll equal 2.25*0.6*0.6*5000000*${atomRadius}
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variable k_roll equal 2.25*0.6*0.6*5000000*0.00055
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variable gamma_roll equal 0.0
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pair_coeff * * mdr ${YoungsModulus} ${PoissonsRatio} ${YieldStress} ${SurfaceEnergy} ${psi_b} ${damp} damping mdr ${damp_type} tangential linear_history ${kt} ${xgammat} ${mu_s} rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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pair_coeff * * mdr 5000000 ${PoissonsRatio} ${YieldStress} ${SurfaceEnergy} ${psi_b} ${damp} damping mdr ${damp_type} tangential linear_history ${kt} ${xgammat} ${mu_s} rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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pair_coeff * * mdr 5000000 0.4 ${YieldStress} ${SurfaceEnergy} ${psi_b} ${damp} damping mdr ${damp_type} tangential linear_history ${kt} ${xgammat} ${mu_s} rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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pair_coeff * * mdr 5000000 0.4 190000 ${SurfaceEnergy} ${psi_b} ${damp} damping mdr ${damp_type} tangential linear_history ${kt} ${xgammat} ${mu_s} rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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pair_coeff * * mdr 5000000 0.4 190000 2 ${psi_b} ${damp} damping mdr ${damp_type} tangential linear_history ${kt} ${xgammat} ${mu_s} rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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pair_coeff * * mdr 5000000 0.4 190000 2 0.5 ${damp} damping mdr ${damp_type} tangential linear_history ${kt} ${xgammat} ${mu_s} rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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pair_coeff * * mdr 5000000 0.4 190000 2 0.5 0.2 damping mdr ${damp_type} tangential linear_history ${kt} ${xgammat} ${mu_s} rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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pair_coeff * * mdr 5000000 0.4 190000 2 0.5 0.2 damping mdr 1 tangential linear_history ${kt} ${xgammat} ${mu_s} rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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pair_coeff * * mdr 5000000 0.4 190000 2 0.5 0.2 damping mdr 1 tangential linear_history 785.714285714286 ${xgammat} ${mu_s} rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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pair_coeff * * mdr 5000000 0.4 190000 2 0.5 0.2 damping mdr 1 tangential linear_history 785.714285714286 1 ${mu_s} rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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pair_coeff * * mdr 5000000 0.4 190000 2 0.5 0.2 damping mdr 1 tangential linear_history 785.714285714286 1 0.7 rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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pair_coeff * * mdr 5000000 0.4 190000 2 0.5 0.2 damping mdr 1 tangential linear_history 785.714285714286 1 0.7 rolling sds 2227.5 ${gamma_roll} ${mu_roll}
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pair_coeff * * mdr 5000000 0.4 190000 2 0.5 0.2 damping mdr 1 tangential linear_history 785.714285714286 1 0.7 rolling sds 2227.5 0 ${mu_roll}
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pair_coeff * * mdr 5000000 0.4 190000 2 0.5 0.2 damping mdr 1 tangential linear_history 785.714285714286 1 0.7 rolling sds 2227.5 0 0.6
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######################################### ADD DIE AND PUNCH WALLS ############################################
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variable disp_upper equal 0.0
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variable disp_lower equal 0.0
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variable wall_contact_string string "granular mdr ${YoungsModulus} ${PoissonsRatio} ${YieldStress} ${SurfaceEnergyWall} ${psi_b} ${damp} damping mdr ${damp_type} tangential linear_history ${kt_wall} ${xgammat} ${mu_s_wall} rolling sds ${k_roll} ${gamma_roll} ${mu_roll}"
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granular mdr 5000000 ${PoissonsRatio} ${YieldStress} ${SurfaceEnergyWall} ${psi_b} ${damp} damping mdr ${damp_type} tangential linear_history ${kt_wall} ${xgammat} ${mu_s_wall} rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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granular mdr 5000000 0.4 ${YieldStress} ${SurfaceEnergyWall} ${psi_b} ${damp} damping mdr ${damp_type} tangential linear_history ${kt_wall} ${xgammat} ${mu_s_wall} rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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granular mdr 5000000 0.4 190000 ${SurfaceEnergyWall} ${psi_b} ${damp} damping mdr ${damp_type} tangential linear_history ${kt_wall} ${xgammat} ${mu_s_wall} rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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granular mdr 5000000 0.4 190000 0 ${psi_b} ${damp} damping mdr ${damp_type} tangential linear_history ${kt_wall} ${xgammat} ${mu_s_wall} rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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granular mdr 5000000 0.4 190000 0 0.5 ${damp} damping mdr ${damp_type} tangential linear_history ${kt_wall} ${xgammat} ${mu_s_wall} rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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granular mdr 5000000 0.4 190000 0 0.5 0.2 damping mdr ${damp_type} tangential linear_history ${kt_wall} ${xgammat} ${mu_s_wall} rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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granular mdr 5000000 0.4 190000 0 0.5 0.2 damping mdr 1 tangential linear_history ${kt_wall} ${xgammat} ${mu_s_wall} rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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granular mdr 5000000 0.4 190000 0 0.5 0.2 damping mdr 1 tangential linear_history 785.714285714286 ${xgammat} ${mu_s_wall} rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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granular mdr 5000000 0.4 190000 0 0.5 0.2 damping mdr 1 tangential linear_history 785.714285714286 1 ${mu_s_wall} rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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granular mdr 5000000 0.4 190000 0 0.5 0.2 damping mdr 1 tangential linear_history 785.714285714286 1 0.1 rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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granular mdr 5000000 0.4 190000 0 0.5 0.2 damping mdr 1 tangential linear_history 785.714285714286 1 0.1 rolling sds 2227.5 ${gamma_roll} ${mu_roll}
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granular mdr 5000000 0.4 190000 0 0.5 0.2 damping mdr 1 tangential linear_history 785.714285714286 1 0.1 rolling sds 2227.5 0 ${mu_roll}
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granular mdr 5000000 0.4 190000 0 0.5 0.2 damping mdr 1 tangential linear_history 785.714285714286 1 0.1 rolling sds 2227.5 0 0.6
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variable dieHeight2 equal 2*${dieHeight}
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variable dieHeight2 equal 2*0.01
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region lowerPunch plane 0 0 0 0 0 1 side in units box move NULL NULL v_disp_lower units box
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region upperPunch plane 0 0 ${dieHeight} 0 0 -1 side in move NULL NULL v_disp_upper units box
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region upperPunch plane 0 0 0.01 0 0 -1 side in move NULL NULL v_disp_upper units box
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region die cylinder z 0 0 ${dieRadius} 0 ${dieHeight2} side in units box
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region die cylinder z 0 0 0.004 0 ${dieHeight2} side in units box
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region die cylinder z 0 0 0.004 0 0.02 side in units box
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fix lowerPunch all wall/gran/region ${wall_contact_string} region lowerPunch contacts
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fix lowerPunch all wall/gran/region granular mdr 5000000 0.4 190000 0 0.5 0.2 damping mdr 1 tangential linear_history 785.714285714286 1 0.1 rolling sds 2227.5 0 0.6 region lowerPunch contacts
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fix upperPunch all wall/gran/region ${wall_contact_string} region upperPunch contacts
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fix upperPunch all wall/gran/region granular mdr 5000000 0.4 190000 0 0.5 0.2 damping mdr 1 tangential linear_history 785.714285714286 1 0.1 rolling sds 2227.5 0 0.6 region upperPunch contacts
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fix die all wall/gran/region ${wall_contact_string} region die contacts
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fix die all wall/gran/region granular mdr 5000000 0.4 190000 0 0.5 0.2 damping mdr 1 tangential linear_history 785.714285714286 1 0.1 rolling sds 2227.5 0 0.6 region die contacts
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compute avgUpperPunchForce all reduce sum f_upperPunch[4]
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variable avgUpperPunchForce equal c_avgUpperPunchForce
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compute avgLowerPunchForce all reduce sum f_lowerPunch[4]
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variable avgLowerPunchForce equal c_avgLowerPunchForce
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#fix printFD all print 1 "${disp_upper} ${avgUpperPunchForce} ${avgLowerPunchForce}" file punch_force_disp_tableting200.csv screen no
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##################################### INTEGRATION AND GRAVITY #################################################
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fix 1 all nve/sphere
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fix grav all gravity 9.81 vector 0 0 -1
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########################################### SCREEN OUTPUT ####################################################
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compute 1 all erotate/sphere
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thermo_style custom dt step atoms ke vol v_disp_upper
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thermo 100
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thermo_modify lost ignore norm no
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##################################### SET UP DUMP OUTPUTS ####################################################
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compute ke all ke/atom
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variable output_rate equal round(1e-3/dt)
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run 0
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CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE
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Your simulation uses code contributions which should be cited:
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- 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
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@Article{zunker2024mechanicallyI,
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author = {Zunker, William and Kamrin, Ken},
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title = {A mechanically-derived contact model for adhesive elastic-perfectly plastic particles,
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Part I: Utilizing the method of dimensionality reduction},
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journal = {Journal of the Mechanics and Physics of Solids},
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year = {2024},
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volume = {183},
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pages = {105492},
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}
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@Article{zunker2024mechanicallyII,
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author = {Zunker, William and Kamrin, Ken},
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title = {A mechanically-derived contact model for adhesive elastic-perfectly plastic particles,
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Part II: Contact under high compaction—modeling a bulk elastic response},
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journal = {Journal of the Mechanics and Physics of Solids},
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year = {2024},
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volume = {183},
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pages = {105493},
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}
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@Article{zunker2025experimentally,
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author = {Zunker, William and Dunatunga, Sachith and Thakur, Subhash and Tang, Pingjun and Kamrin, Ken},
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title = {Experimentally validated DEM for large deformation powder compaction:
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mechanically-derived contact model and screening of non-physical contacts},
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journal = {Powder Technology},
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year = {2025},
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pages = {120972},
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}
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CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE
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Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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Neighbor list info ...
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update: every = 10 steps, delay = 60 steps, check = no
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max neighbors/atom: 2000, page size: 100000
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master list distance cutoff = 0.002318
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ghost atom cutoff = 0.002318
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binsize = 0.001159, bins = 9 9 19
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1 neighbor lists, perpetual/occasional/extra = 1 0 0
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(1) pair granular, perpetual
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attributes: half, newton off, size, history
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pair build: half/size/bin/atomonly/newtoff
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stencil: full/bin/3d
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bin: standard
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Per MPI rank memory allocation (min/avg/max) = 72.3 | 72.3 | 72.3 Mbytes
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Dt Step Atoms KinEng Volume v_disp_upper
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4e-06 0 200 0 2.1e-06 0
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Loop time of 7.43e-07 on 1 procs for 0 steps with 200 atoms
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134.6% CPU use with 1 MPI tasks x no OpenMP threads
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MPI task timing breakdown:
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Section | min time | avg time | max time |%varavg| %total
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---------------------------------------------------------------
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Pair | 0 | 0 | 0 | 0.0 | 0.00
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Neigh | 0 | 0 | 0 | 0.0 | 0.00
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Comm | 0 | 0 | 0 | 0.0 | 0.00
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Output | 0 | 0 | 0 | 0.0 | 0.00
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Modify | 0 | 0 | 0 | 0.0 | 0.00
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Other | | 7.43e-07 | | |100.00
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Nlocal: 200 ave 200 max 200 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Nghost: 0 ave 0 max 0 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 1341 ave 1341 max 1341 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 1341
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Ave neighs/atom = 6.705
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Neighbor list builds = 0
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Dangerous builds not checked
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compute sigmaxx all property/atom d_sigmaxx
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compute sigmayy all property/atom d_sigmayy
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compute sigmazz all property/atom d_sigmazz
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compute Velas all property/atom d_Velas
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compute sigmaxx_ave all reduce ave c_sigmaxx
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compute sigmayy_ave all reduce ave c_sigmayy
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compute sigmazz_ave all reduce ave c_sigmazz
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compute Velas_sum all reduce sum c_Velas
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variable sxx_ave equal c_sigmaxx_ave
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variable syy_ave equal c_sigmayy_ave
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variable szz_ave equal c_sigmazz_ave
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variable Vparticles equal c_Velas_sum
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#fix log all print 1 "${sxx_ave} ${syy_ave} ${szz_ave} ${Vparticles}" file average_normal_stresses_tableting200.csv screen no
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#dump dumpParticles all custom ${output_rate} tableting200.dump id type mass diameter x y z vx vy vz fx fy fz c_ke c_sigmaxx c_sigmayy c_sigmazz
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#dump dumpParticlesVTK all vtk ${output_rate} post/particles_*.vtk id x y z fx fy fz vx vy vz c_ke radius c_sigmaxx c_sigmayy c_sigmazz
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############################################## RUN SIMULATION #################################################
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variable upper_punch_stroke equal 0.7*${dieHeight}
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variable upper_punch_stroke equal 0.7*0.01
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variable vel_upper equal 0.25
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variable settling_steps equal round(0.02/dt)
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variable compression_steps equal 2*round(${upper_punch_stroke}/${vel_upper}/dt)
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variable compression_steps equal 2*round(0.007/${vel_upper}/dt)
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variable compression_steps equal 2*round(0.007/0.25/dt)
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variable ejection_steps equal ${compression_steps}
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variable ejection_steps equal 14000
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variable free_float_steps equal round(0.02/dt)
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##### SETTLING #####
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run ${settling_steps}
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run 5000
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Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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Per MPI rank memory allocation (min/avg/max) = 72.3 | 72.3 | 72.3 Mbytes
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Dt Step Atoms KinEng Volume v_disp_upper
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4e-06 0 200 0 2.1e-06 0
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4e-06 100 200 1.5945503e-09 2.1e-06 0
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4e-06 200 200 6.3750614e-09 2.1e-06 0
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4e-06 300 200 1.4225143e-08 2.1e-06 0
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4e-06 400 200 2.5255561e-08 2.1e-06 0
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4e-06 500 200 3.947508e-08 2.1e-06 0
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4e-06 600 200 5.6839079e-08 2.1e-06 0
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4e-06 700 200 7.7346494e-08 2.1e-06 0
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4e-06 800 200 1.0075645e-07 2.1e-06 0
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4e-06 900 200 1.2660105e-07 2.1e-06 0
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4e-06 1000 200 1.5571123e-07 2.1e-06 0
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4e-06 1100 200 1.8785107e-07 2.1e-06 0
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4e-06 1200 200 2.2200974e-07 2.1e-06 0
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4e-06 1300 200 2.6009223e-07 2.1e-06 0
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4e-06 1400 200 3.0148646e-07 2.1e-06 0
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4e-06 1500 200 3.4269724e-07 2.1e-06 0
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4e-06 1600 200 3.8502938e-07 2.1e-06 0
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4e-06 1700 200 4.2763891e-07 2.1e-06 0
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4e-06 1800 200 4.6779321e-07 2.1e-06 0
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4e-06 1900 200 5.1285578e-07 2.1e-06 0
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4e-06 2000 200 5.6630973e-07 2.1e-06 0
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4e-06 2100 200 6.1904302e-07 2.1e-06 0
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4e-06 2200 200 6.7462868e-07 2.1e-06 0
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4e-06 2300 200 7.3066636e-07 2.1e-06 0
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4e-06 2400 200 7.7407334e-07 2.1e-06 0
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4e-06 2500 200 8.3353557e-07 2.1e-06 0
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4e-06 2600 200 9.0017986e-07 2.1e-06 0
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4e-06 2700 200 9.5154909e-07 2.1e-06 0
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4e-06 2800 200 1.0110977e-06 2.1e-06 0
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4e-06 2900 200 1.0661364e-06 2.1e-06 0
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4e-06 3000 200 1.1226841e-06 2.1e-06 0
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4e-06 3100 200 1.1703917e-06 2.1e-06 0
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4e-06 3200 200 1.2254551e-06 2.1e-06 0
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4e-06 3300 200 1.2239859e-06 2.1e-06 0
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4e-06 3400 200 1.273437e-06 2.1e-06 0
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4e-06 3500 200 1.3357598e-06 2.1e-06 0
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4e-06 3600 200 1.3949477e-06 2.1e-06 0
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4e-06 3700 200 1.459988e-06 2.1e-06 0
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4e-06 3800 200 1.5053806e-06 2.1e-06 0
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4e-06 3900 200 1.4952453e-06 2.1e-06 0
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4e-06 4000 200 1.5037857e-06 2.1e-06 0
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4e-06 4100 200 1.5225204e-06 2.1e-06 0
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4e-06 4200 200 1.5375323e-06 2.1e-06 0
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4e-06 4300 200 1.5552328e-06 2.1e-06 0
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4e-06 4400 200 1.581097e-06 2.1e-06 0
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4e-06 4500 200 1.6066427e-06 2.1e-06 0
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4e-06 4600 200 1.6061944e-06 2.1e-06 0
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4e-06 4700 200 1.6110891e-06 2.1e-06 0
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4e-06 4800 200 1.6072997e-06 2.1e-06 0
|
|
4e-06 4900 200 1.5907992e-06 2.1e-06 0
|
|
4e-06 5000 200 1.5501104e-06 2.1e-06 0
|
|
Loop time of 0.592588 on 1 procs for 5000 steps with 200 atoms
|
|
|
|
99.4% CPU use with 1 MPI tasks x no OpenMP threads
|
|
|
|
MPI task timing breakdown:
|
|
Section | min time | avg time | max time |%varavg| %total
|
|
---------------------------------------------------------------
|
|
Pair | 0.20465 | 0.20465 | 0.20465 | 0.0 | 34.53
|
|
Neigh | 0.013252 | 0.013252 | 0.013252 | 0.0 | 2.24
|
|
Comm | 0.00037594 | 0.00037594 | 0.00037594 | 0.0 | 0.06
|
|
Output | 0.00037454 | 0.00037454 | 0.00037454 | 0.0 | 0.06
|
|
Modify | 0.37295 | 0.37295 | 0.37295 | 0.0 | 62.93
|
|
Other | | 0.0009914 | | | 0.17
|
|
|
|
Nlocal: 200 ave 200 max 200 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: 1632 ave 1632 max 1632 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
|
|
Total # of neighbors = 1632
|
|
Ave neighs/atom = 8.16
|
|
Neighbor list builds = 83
|
|
Dangerous builds not checked
|
|
|
|
##### Compression & Release #####
|
|
|
|
variable punch_frequency equal PI/2/(dt*${compression_steps}/2)
|
|
variable punch_frequency equal PI/2/(dt*14000/2)
|
|
variable disp_upper equal -${upper_punch_stroke}*sin(${punch_frequency}*elapsed*dt)
|
|
variable disp_upper equal -0.007*sin(${punch_frequency}*elapsed*dt)
|
|
variable disp_upper equal -0.007*sin(56.0998688141035*elapsed*dt)
|
|
variable short_release equal round(${compression_steps}*1.0)
|
|
variable short_release equal round(14000*1.0)
|
|
run ${short_release}
|
|
run 14000
|
|
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
|
|
Per MPI rank memory allocation (min/avg/max) = 72.3 | 72.3 | 72.3 Mbytes
|
|
Dt Step Atoms KinEng Volume v_disp_upper
|
|
4e-06 5000 200 1.5501104e-06 2.1e-06 0
|
|
4e-06 5100 200 1.5146077e-06 2.1e-06 -0.00015706645
|
|
4e-06 5200 200 1.4902158e-06 2.1e-06 -0.00031405381
|
|
4e-06 5300 200 1.3871134e-06 2.1e-06 -0.00047088304
|
|
4e-06 5400 200 1.3531184e-06 2.1e-06 -0.00062747516
|
|
4e-06 5500 200 1.3154278e-06 2.1e-06 -0.00078375133
|
|
4e-06 5600 200 1.2461265e-06 2.1e-06 -0.00093963286
|
|
4e-06 5700 200 1.1840322e-06 2.1e-06 -0.0010950413
|
|
4e-06 5800 200 1.083844e-06 2.1e-06 -0.0012498983
|
|
4e-06 5900 200 9.8572649e-07 2.1e-06 -0.0014041259
|
|
4e-06 6000 200 8.6605656e-07 2.1e-06 -0.0015576465
|
|
4e-06 6100 200 7.6694391e-07 2.1e-06 -0.0017103828
|
|
4e-06 6200 200 7.1292979e-07 2.1e-06 -0.0018622579
|
|
4e-06 6300 200 6.475067e-07 2.1e-06 -0.0020131953
|
|
4e-06 6400 200 5.378202e-07 2.1e-06 -0.002163119
|
|
4e-06 6500 200 4.5668598e-07 2.1e-06 -0.0023119534
|
|
4e-06 6600 200 3.1208987e-07 2.1e-06 -0.0024596238
|
|
4e-06 6700 200 2.2996407e-07 2.1e-06 -0.0026060556
|
|
4e-06 6800 200 1.658813e-07 2.1e-06 -0.0027511752
|
|
4e-06 6900 200 1.4495016e-07 2.1e-06 -0.0028949095
|
|
4e-06 7000 200 1.6172966e-07 2.1e-06 -0.0030371862
|
|
4e-06 7100 200 4.6620591e-07 2.1e-06 -0.0031779335
|
|
4e-06 7200 200 6.8121833e-07 2.1e-06 -0.0033170806
|
|
4e-06 7300 200 1.5506154e-06 2.1e-06 -0.0034545575
|
|
4e-06 7400 200 2.5919669e-06 2.1e-06 -0.0035902949
|
|
4e-06 7500 200 2.9403576e-06 2.1e-06 -0.0037242245
|
|
4e-06 7600 200 2.7726732e-06 2.1e-06 -0.0038562789
|
|
4e-06 7700 200 2.6586936e-06 2.1e-06 -0.0039863915
|
|
4e-06 7800 200 2.7059447e-06 2.1e-06 -0.0041144968
|
|
4e-06 7900 200 2.8454301e-06 2.1e-06 -0.0042405303
|
|
4e-06 8000 200 2.7747574e-06 2.1e-06 -0.0043644286
|
|
4e-06 8100 200 2.6329747e-06 2.1e-06 -0.0044861293
|
|
4e-06 8200 200 2.3654294e-06 2.1e-06 -0.0046055711
|
|
4e-06 8300 200 2.616465e-06 2.1e-06 -0.0047226938
|
|
4e-06 8400 200 2.6920973e-06 2.1e-06 -0.0048374385
|
|
4e-06 8500 200 2.6041158e-06 2.1e-06 -0.0049497475
|
|
4e-06 8600 200 1.8236056e-06 2.1e-06 -0.005059564
|
|
4e-06 8700 200 2.1290462e-06 2.1e-06 -0.005166833
|
|
4e-06 8800 200 1.8723934e-06 2.1e-06 -0.0052715003
|
|
4e-06 8900 200 1.7196474e-06 2.1e-06 -0.0053735132
|
|
4e-06 9000 200 1.558001e-06 2.1e-06 -0.0054728204
|
|
4e-06 9100 200 1.1714433e-06 2.1e-06 -0.0055693718
|
|
4e-06 9200 200 1.7973167e-06 2.1e-06 -0.005663119
|
|
4e-06 9300 200 1.4951874e-06 2.1e-06 -0.0057540145
|
|
4e-06 9400 200 1.197557e-06 2.1e-06 -0.0058420128
|
|
4e-06 9500 200 1.1638085e-06 2.1e-06 -0.0059270694
|
|
4e-06 9600 200 1.2591061e-06 2.1e-06 -0.0060091416
|
|
4e-06 9700 200 1.2747299e-06 2.1e-06 -0.0060881879
|
|
4e-06 9800 200 1.2424243e-06 2.1e-06 -0.0061641687
|
|
4e-06 9900 200 1.1624586e-06 2.1e-06 -0.0062370457
|
|
4e-06 10000 200 1.0724272e-06 2.1e-06 -0.0063067821
|
|
4e-06 10100 200 1.0806622e-06 2.1e-06 -0.0063733428
|
|
4e-06 10200 200 9.2046484e-07 2.1e-06 -0.0064366944
|
|
4e-06 10300 200 8.1801156e-07 2.1e-06 -0.0064968049
|
|
4e-06 10400 200 7.74927e-07 2.1e-06 -0.0065536441
|
|
4e-06 10500 200 6.85447e-07 2.1e-06 -0.0066071833
|
|
4e-06 10600 200 5.4693931e-07 2.1e-06 -0.0066573956
|
|
4e-06 10700 200 4.5275522e-07 2.1e-06 -0.0067042557
|
|
4e-06 10800 200 4.2807826e-07 2.1e-06 -0.00674774
|
|
4e-06 10900 200 3.5676739e-07 2.1e-06 -0.0067878266
|
|
4e-06 11000 200 2.9448839e-07 2.1e-06 -0.0068244954
|
|
4e-06 11100 200 2.7397196e-07 2.1e-06 -0.0068577278
|
|
4e-06 11200 200 1.8313029e-07 2.1e-06 -0.0068875071
|
|
4e-06 11300 200 1.4616679e-07 2.1e-06 -0.0069138184
|
|
4e-06 11400 200 1.0916404e-07 2.1e-06 -0.0069366483
|
|
4e-06 11500 200 7.4608897e-08 2.1e-06 -0.0069559855
|
|
4e-06 11600 200 4.9799693e-08 2.1e-06 -0.0069718201
|
|
4e-06 11700 200 2.996701e-08 2.1e-06 -0.0069841441
|
|
4e-06 11800 200 1.1810054e-08 2.1e-06 -0.0069929515
|
|
4e-06 11900 200 3.9455661e-09 2.1e-06 -0.0069982376
|
|
4e-06 12000 200 7.0818836e-11 2.1e-06 -0.007
|
|
4e-06 12100 200 3.989114e-09 2.1e-06 -0.0069982376
|
|
4e-06 12200 200 1.0481589e-08 2.1e-06 -0.0069929515
|
|
4e-06 12300 200 2.3561653e-08 2.1e-06 -0.0069841441
|
|
4e-06 12400 200 4.1819363e-08 2.1e-06 -0.0069718201
|
|
4e-06 12500 200 6.5328826e-08 2.1e-06 -0.0069559855
|
|
4e-06 12600 200 9.3738095e-08 2.1e-06 -0.0069366483
|
|
4e-06 12700 200 1.3058219e-07 2.1e-06 -0.0069138184
|
|
4e-06 12800 200 1.7668602e-07 2.1e-06 -0.0068875071
|
|
4e-06 12900 200 2.1482809e-07 2.1e-06 -0.0068577278
|
|
4e-06 13000 200 2.7185589e-07 2.1e-06 -0.0068244954
|
|
4e-06 13100 200 3.3577426e-07 2.1e-06 -0.0067878266
|
|
4e-06 13200 200 3.9749034e-07 2.1e-06 -0.00674774
|
|
4e-06 13300 200 5.0743398e-07 2.1e-06 -0.0067042557
|
|
4e-06 13400 200 5.6629069e-07 2.1e-06 -0.0066573956
|
|
4e-06 13500 200 5.9092105e-07 2.1e-06 -0.0066071833
|
|
4e-06 13600 200 7.313638e-07 2.1e-06 -0.0065536441
|
|
4e-06 13700 200 1.0954352e-06 2.1e-06 -0.0064968049
|
|
4e-06 13800 200 7.1637332e-07 2.1e-06 -0.0064366944
|
|
4e-06 13900 200 8.5398051e-07 2.1e-06 -0.0063733428
|
|
4e-06 14000 200 1.0429888e-06 2.1e-06 -0.0063067821
|
|
4e-06 14100 200 1.6673022e-07 2.1e-06 -0.0062370457
|
|
4e-06 14200 200 2.0206568e-08 2.1e-06 -0.0061641687
|
|
4e-06 14300 200 5.6062261e-09 2.1e-06 -0.0060881879
|
|
4e-06 14400 200 4.5198973e-09 2.1e-06 -0.0060091416
|
|
4e-06 14500 200 2.5522353e-09 2.1e-06 -0.0059270694
|
|
4e-06 14600 200 9.091094e-10 2.1e-06 -0.0058420128
|
|
4e-06 14700 200 1.3992806e-10 2.1e-06 -0.0057540145
|
|
4e-06 14800 200 1.0208666e-11 2.1e-06 -0.005663119
|
|
4e-06 14900 200 8.4078334e-11 2.1e-06 -0.0055693718
|
|
4e-06 15000 200 1.2567311e-10 2.1e-06 -0.0054728204
|
|
4e-06 15100 200 5.2285722e-10 2.1e-06 -0.0053735132
|
|
4e-06 15200 200 1.5839179e-10 2.1e-06 -0.0052715003
|
|
4e-06 15300 200 3.2283374e-11 2.1e-06 -0.005166833
|
|
4e-06 15400 200 2.9516435e-12 2.1e-06 -0.005059564
|
|
4e-06 15500 200 1.0302118e-11 2.1e-06 -0.0049497475
|
|
4e-06 15600 200 1.7289975e-11 2.1e-06 -0.0048374385
|
|
4e-06 15700 200 1.4850209e-11 2.1e-06 -0.0047226938
|
|
4e-06 15800 200 8.0260964e-12 2.1e-06 -0.0046055711
|
|
4e-06 15900 200 2.616591e-12 2.1e-06 -0.0044861293
|
|
4e-06 16000 200 3.0793261e-13 2.1e-06 -0.0043644286
|
|
4e-06 16100 200 4.9187696e-13 2.1e-06 -0.0042405303
|
|
4e-06 16200 200 3.9849142e-13 2.1e-06 -0.0041144968
|
|
4e-06 16300 200 5.2823345e-13 2.1e-06 -0.0039863915
|
|
4e-06 16400 200 3.9902725e-13 2.1e-06 -0.0038562789
|
|
4e-06 16500 200 1.9259043e-13 2.1e-06 -0.0037242245
|
|
4e-06 16600 200 5.3557316e-14 2.1e-06 -0.0035902949
|
|
4e-06 16700 200 3.7734621e-15 2.1e-06 -0.0034545575
|
|
4e-06 16800 200 3.0867115e-15 2.1e-06 -0.0033170806
|
|
4e-06 16900 200 1.1841579e-14 2.1e-06 -0.0031779335
|
|
4e-06 17000 200 1.3850503e-14 2.1e-06 -0.0030371862
|
|
4e-06 17100 200 9.8491914e-15 2.1e-06 -0.0028949095
|
|
4e-06 17200 200 4.7140149e-15 2.1e-06 -0.0027511752
|
|
4e-06 17300 200 1.3440466e-15 2.1e-06 -0.0026060556
|
|
4e-06 17400 200 1.0627828e-16 2.1e-06 -0.0024596238
|
|
4e-06 17500 200 6.2015781e-17 2.1e-06 -0.0023119534
|
|
4e-06 17600 200 2.8723007e-16 2.1e-06 -0.002163119
|
|
4e-06 17700 200 3.6601367e-16 2.1e-06 -0.0020131953
|
|
4e-06 17800 200 2.7862312e-16 2.1e-06 -0.0018622579
|
|
4e-06 17900 200 1.4268051e-16 2.1e-06 -0.0017103828
|
|
4e-06 18000 200 4.5443603e-17 2.1e-06 -0.0015576465
|
|
4e-06 18100 200 5.2330376e-18 2.1e-06 -0.0014041259
|
|
4e-06 18200 200 7.3566254e-19 2.1e-06 -0.0012498983
|
|
4e-06 18300 200 6.5880468e-18 2.1e-06 -0.0010950413
|
|
4e-06 18400 200 9.5744931e-18 2.1e-06 -0.00093963286
|
|
4e-06 18500 200 7.8604487e-18 2.1e-06 -0.00078375133
|
|
4e-06 18600 200 4.3166295e-18 2.1e-06 -0.00062747516
|
|
4e-06 18700 200 1.5188792e-18 2.1e-06 -0.00047088304
|
|
4e-06 18800 200 2.3221067e-19 2.1e-06 -0.00031405381
|
|
4e-06 18900 200 4.7558964e-21 2.1e-06 -0.00015706645
|
|
4e-06 19000 200 1.4567292e-19 2.1e-06 2.0903119e-17
|
|
Loop time of 6.96616 on 1 procs for 14000 steps with 200 atoms
|
|
|
|
99.5% CPU use with 1 MPI tasks x no OpenMP threads
|
|
|
|
MPI task timing breakdown:
|
|
Section | min time | avg time | max time |%varavg| %total
|
|
---------------------------------------------------------------
|
|
Pair | 3.8534 | 3.8534 | 3.8534 | 0.0 | 55.32
|
|
Neigh | 0.038778 | 0.038778 | 0.038778 | 0.0 | 0.56
|
|
Comm | 0.0015081 | 0.0015081 | 0.0015081 | 0.0 | 0.02
|
|
Output | 0.0018007 | 0.0018007 | 0.0018007 | 0.0 | 0.03
|
|
Modify | 3.0668 | 3.0668 | 3.0668 | 0.0 | 44.02
|
|
Other | | 0.003851 | | | 0.06
|
|
|
|
Nlocal: 200 ave 200 max 200 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: 3031 ave 3031 max 3031 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
|
|
Total # of neighbors = 3031
|
|
Ave neighs/atom = 15.155
|
|
Neighbor list builds = 233
|
|
Dangerous builds not checked
|
|
|
|
##### EJECTION #####
|
|
|
|
variable punch_frequency equal PI/2/(dt*${ejection_steps})
|
|
variable punch_frequency equal PI/2/(dt*14000)
|
|
variable disp_lower equal ${dieHeight}*sin(${punch_frequency}*elapsed*dt)
|
|
variable disp_lower equal 0.01*sin(${punch_frequency}*elapsed*dt)
|
|
variable disp_lower equal 0.01*sin(28.0499344070517*elapsed*dt)
|
|
variable disp_upper equal 0.9*v_disp_lower
|
|
run ${ejection_steps}
|
|
run 14000
|
|
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
|
|
Per MPI rank memory allocation (min/avg/max) = 72.31 | 72.31 | 72.31 Mbytes
|
|
Dt Step Atoms KinEng Volume v_disp_upper
|
|
4e-06 19000 200 1.4567292e-19 2.1e-06 0
|
|
4e-06 19100 200 1.9132195e-05 2.1e-06 0.00010097765
|
|
4e-06 19200 200 3.1561748e-06 2.1e-06 0.00020194258
|
|
4e-06 19300 200 1.4462178e-05 2.1e-06 0.00030288209
|
|
4e-06 19400 200 4.6622112e-06 2.1e-06 0.00040378347
|
|
4e-06 19500 200 1.1929852e-05 2.1e-06 0.00050463403
|
|
4e-06 19600 200 5.6933661e-06 2.1e-06 0.00060542105
|
|
4e-06 19700 200 1.0429976e-05 2.1e-06 0.00070613186
|
|
4e-06 19800 200 6.6580254e-06 2.1e-06 0.00080675378
|
|
4e-06 19900 200 9.1721686e-06 2.1e-06 0.00090727414
|
|
4e-06 20000 200 7.4553343e-06 2.1e-06 0.0010076803
|
|
4e-06 20100 200 8.3534813e-06 2.1e-06 0.0011079596
|
|
4e-06 20200 200 7.8671075e-06 2.1e-06 0.0012080994
|
|
4e-06 20300 200 7.9115898e-06 2.1e-06 0.0013080871
|
|
4e-06 20400 200 8.2222312e-06 2.1e-06 0.0014079102
|
|
4e-06 20500 200 7.5281175e-06 2.1e-06 0.001507556
|
|
4e-06 20600 200 8.4242027e-06 2.1e-06 0.0016070121
|
|
4e-06 20700 200 7.3282364e-06 2.1e-06 0.0017062658
|
|
4e-06 20800 200 8.3501222e-06 2.1e-06 0.0018053047
|
|
4e-06 20900 200 7.3417566e-06 2.1e-06 0.0019041164
|
|
4e-06 21000 200 8.0702927e-06 2.1e-06 0.0020026884
|
|
4e-06 21100 200 7.5896194e-06 2.1e-06 0.0021010083
|
|
4e-06 21200 200 7.6596342e-06 2.1e-06 0.0021990637
|
|
4e-06 21300 200 7.7009755e-06 2.1e-06 0.0022968422
|
|
4e-06 21400 200 7.4010568e-06 2.1e-06 0.0023943316
|
|
4e-06 21500 200 7.7254953e-06 2.1e-06 0.0024915196
|
|
4e-06 21600 200 7.2931076e-06 2.1e-06 0.0025883939
|
|
4e-06 21700 200 7.5667043e-06 2.1e-06 0.0026849424
|
|
4e-06 21800 200 7.2767179e-06 2.1e-06 0.0027811529
|
|
4e-06 21900 200 7.3632148e-06 2.1e-06 0.0028770133
|
|
4e-06 22000 200 7.2563523e-06 2.1e-06 0.0029725116
|
|
4e-06 22100 200 7.2003226e-06 2.1e-06 0.0030676356
|
|
4e-06 22200 200 7.1862422e-06 2.1e-06 0.0031623734
|
|
4e-06 22300 200 7.0035785e-06 2.1e-06 0.0032567132
|
|
4e-06 22400 200 7.1023437e-06 2.1e-06 0.0033506429
|
|
4e-06 22500 200 6.8767896e-06 2.1e-06 0.0034441509
|
|
4e-06 22600 200 6.9556381e-06 2.1e-06 0.0035372253
|
|
4e-06 22700 200 6.7754491e-06 2.1e-06 0.0036298544
|
|
4e-06 22800 200 6.7752923e-06 2.1e-06 0.0037220265
|
|
4e-06 22900 200 6.6947789e-06 2.1e-06 0.0038137301
|
|
4e-06 23000 200 6.5811876e-06 2.1e-06 0.0039049537
|
|
4e-06 23100 200 6.5600064e-06 2.1e-06 0.0039956856
|
|
4e-06 23200 200 6.407054e-06 2.1e-06 0.0040859145
|
|
4e-06 23300 200 6.4635326e-06 2.1e-06 0.0041756291
|
|
4e-06 23400 200 6.2604509e-06 2.1e-06 0.004264818
|
|
4e-06 23500 200 6.2914059e-06 2.1e-06 0.00435347
|
|
4e-06 23600 200 6.1416598e-06 2.1e-06 0.004441574
|
|
4e-06 23700 200 6.0839487e-06 2.1e-06 0.0045291188
|
|
4e-06 23800 200 6.0216029e-06 2.1e-06 0.0046160935
|
|
4e-06 23900 200 5.896464e-06 2.1e-06 0.0047024871
|
|
4e-06 24000 200 5.8682556e-06 2.1e-06 0.0047882887
|
|
4e-06 24100 200 5.8744357e-06 2.1e-06 0.0048734875
|
|
4e-06 24200 200 5.6172509e-06 2.1e-06 0.0049580728
|
|
4e-06 24300 200 5.6527872e-06 2.1e-06 0.005042034
|
|
4e-06 24400 200 5.4706998e-06 2.1e-06 0.0051253604
|
|
4e-06 24500 200 5.4368713e-06 2.1e-06 0.0052080417
|
|
4e-06 24600 200 5.3496195e-06 2.1e-06 0.0052900673
|
|
4e-06 24700 200 5.2020248e-06 2.1e-06 0.0053714269
|
|
4e-06 24800 200 5.2035809e-06 2.1e-06 0.0054521104
|
|
4e-06 24900 200 5.0302031e-06 2.1e-06 0.0055321075
|
|
4e-06 25000 200 5.0094633e-06 2.1e-06 0.0056114082
|
|
4e-06 25100 200 4.8588064e-06 2.1e-06 0.0056900025
|
|
4e-06 25200 200 4.8221437e-06 2.1e-06 0.0057678805
|
|
4e-06 25300 200 4.7117322e-06 2.1e-06 0.0058450324
|
|
4e-06 25400 200 4.6148719e-06 2.1e-06 0.0059214485
|
|
4e-06 25500 200 4.5348297e-06 2.1e-06 0.0059971192
|
|
4e-06 25600 200 4.4325937e-06 2.1e-06 0.0060720349
|
|
4e-06 25700 200 4.3587865e-06 2.1e-06 0.0061461862
|
|
4e-06 25800 200 4.2449842e-06 2.1e-06 0.0062195638
|
|
4e-06 25900 200 4.1730814e-06 2.1e-06 0.0062921585
|
|
4e-06 26000 200 4.0712085e-06 2.1e-06 0.006363961
|
|
4e-06 26100 200 3.9603603e-06 2.1e-06 0.0064349624
|
|
4e-06 26200 200 3.9152641e-06 2.1e-06 0.0065051538
|
|
4e-06 26300 200 3.7864366e-06 2.1e-06 0.0065745262
|
|
4e-06 26400 200 3.7211553e-06 2.1e-06 0.006643071
|
|
4e-06 26500 200 3.6038142e-06 2.1e-06 0.0067107795
|
|
4e-06 26600 200 3.5518456e-06 2.1e-06 0.0067776432
|
|
4e-06 26700 200 3.4213616e-06 2.1e-06 0.0068436537
|
|
4e-06 26800 200 3.348649e-06 2.1e-06 0.0069088027
|
|
4e-06 26900 200 3.2592054e-06 2.1e-06 0.0069730819
|
|
4e-06 27000 200 3.1640896e-06 2.1e-06 0.0070364833
|
|
4e-06 27100 200 3.1491467e-06 2.1e-06 0.007098999
|
|
4e-06 27200 200 2.9475347e-06 2.1e-06 0.0071606209
|
|
4e-06 27300 200 2.9234007e-06 2.1e-06 0.0072213415
|
|
4e-06 27400 200 2.8106832e-06 2.1e-06 0.0072811529
|
|
4e-06 27500 200 2.7190831e-06 2.1e-06 0.0073400478
|
|
4e-06 27600 200 2.6595021e-06 2.1e-06 0.0073980187
|
|
4e-06 27700 200 2.5384163e-06 2.1e-06 0.0074550582
|
|
4e-06 27800 200 2.4906759e-06 2.1e-06 0.0075111593
|
|
4e-06 27900 200 2.3760852e-06 2.1e-06 0.0075663148
|
|
4e-06 28000 200 2.3135864e-06 2.1e-06 0.0076205178
|
|
4e-06 28100 200 2.206388e-06 2.1e-06 0.0076737615
|
|
4e-06 28200 200 2.1580755e-06 2.1e-06 0.0077260391
|
|
4e-06 28300 200 2.0541807e-06 2.1e-06 0.0077773442
|
|
4e-06 28400 200 1.9879886e-06 2.1e-06 0.0078276702
|
|
4e-06 28500 200 1.9080731e-06 2.1e-06 0.0078770108
|
|
4e-06 28600 200 1.8244513e-06 2.1e-06 0.0079253598
|
|
4e-06 28700 200 1.7612085e-06 2.1e-06 0.0079727111
|
|
4e-06 28800 200 1.6725418e-06 2.1e-06 0.0080190587
|
|
4e-06 28900 200 1.6108221e-06 2.1e-06 0.0080643969
|
|
4e-06 29000 200 1.5315923e-06 2.1e-06 0.0081087198
|
|
4e-06 29100 200 1.4668177e-06 2.1e-06 0.008152022
|
|
4e-06 29200 200 1.389947e-06 2.1e-06 0.0081942979
|
|
4e-06 29300 200 1.3244327e-06 2.1e-06 0.0082355423
|
|
4e-06 29400 200 1.2613389e-06 2.1e-06 0.00827575
|
|
4e-06 29500 200 1.189317e-06 2.1e-06 0.0083149158
|
|
4e-06 29600 200 1.1328651e-06 2.1e-06 0.0083530349
|
|
4e-06 29700 200 1.0634003e-06 2.1e-06 0.0083901025
|
|
4e-06 29800 200 1.0089659e-06 2.1e-06 0.0084261138
|
|
4e-06 29900 200 9.452383e-07 2.1e-06 0.0084610645
|
|
4e-06 30000 200 8.8857387e-07 2.1e-06 0.00849495
|
|
4e-06 30100 200 8.3934751e-07 2.1e-06 0.0085277661
|
|
4e-06 30200 200 7.7404495e-07 2.1e-06 0.0085595086
|
|
4e-06 30300 200 7.2760888e-07 2.1e-06 0.0085901737
|
|
4e-06 30400 200 6.7239685e-07 2.1e-06 0.0086197574
|
|
4e-06 30500 200 6.245416e-07 2.1e-06 0.0086482559
|
|
4e-06 30600 200 5.7834155e-07 2.1e-06 0.0086756657
|
|
4e-06 30700 200 5.2814574e-07 2.1e-06 0.0087019834
|
|
4e-06 30800 200 4.8878902e-07 2.1e-06 0.0087272057
|
|
4e-06 30900 200 4.4241206e-07 2.1e-06 0.0087513293
|
|
4e-06 31000 200 4.0442514e-07 2.1e-06 0.0087743512
|
|
4e-06 31100 200 3.642199e-07 2.1e-06 0.0087962686
|
|
4e-06 31200 200 3.2738558e-07 2.1e-06 0.0088170786
|
|
4e-06 31300 200 2.9389397e-07 2.1e-06 0.0088367787
|
|
4e-06 31400 200 2.5861566e-07 2.1e-06 0.0088553663
|
|
4e-06 31500 200 2.2934636e-07 2.1e-06 0.0088728392
|
|
4e-06 31600 200 1.9888494e-07 2.1e-06 0.0088891951
|
|
4e-06 31700 200 1.7250531e-07 2.1e-06 0.0089044319
|
|
4e-06 31800 200 1.4678036e-07 2.1e-06 0.0089185479
|
|
4e-06 31900 200 1.2324632e-07 2.1e-06 0.0089315411
|
|
4e-06 32000 200 1.0248084e-07 2.1e-06 0.0089434099
|
|
4e-06 32100 200 8.2609273e-08 2.1e-06 0.0089541529
|
|
4e-06 32200 200 6.551679e-08 2.1e-06 0.0089637686
|
|
4e-06 32300 200 5.0080052e-08 2.1e-06 0.008972256
|
|
4e-06 32400 200 3.6856646e-08 2.1e-06 0.0089796139
|
|
4e-06 32500 200 2.5648284e-08 2.1e-06 0.0089858413
|
|
4e-06 32600 200 1.637837e-08 2.1e-06 0.0089909376
|
|
4e-06 32700 200 9.2578154e-09 2.1e-06 0.008994902
|
|
4e-06 32800 200 4.0824723e-09 2.1e-06 0.0089977341
|
|
4e-06 32900 200 1.0371165e-09 2.1e-06 0.0089994335
|
|
4e-06 33000 200 6.1012168e-14 2.1e-06 0.009
|
|
Loop time of 7.70808 on 1 procs for 14000 steps with 200 atoms
|
|
|
|
99.6% CPU use with 1 MPI tasks x no OpenMP threads
|
|
|
|
MPI task timing breakdown:
|
|
Section | min time | avg time | max time |%varavg| %total
|
|
---------------------------------------------------------------
|
|
Pair | 4.4414 | 4.4414 | 4.4414 | 0.0 | 57.62
|
|
Neigh | 0.040941 | 0.040941 | 0.040941 | 0.0 | 0.53
|
|
Comm | 0.001526 | 0.001526 | 0.001526 | 0.0 | 0.02
|
|
Output | 0.0019617 | 0.0019617 | 0.0019617 | 0.0 | 0.03
|
|
Modify | 3.2183 | 3.2183 | 3.2183 | 0.0 | 41.75
|
|
Other | | 0.003942 | | | 0.05
|
|
|
|
Nlocal: 200 ave 200 max 200 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: 3026 ave 3026 max 3026 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
|
|
Total # of neighbors = 3026
|
|
Ave neighs/atom = 15.13
|
|
Neighbor list builds = 233
|
|
Dangerous builds not checked
|
|
|
|
##### FREE FLOAT #####
|
|
|
|
variable disp_lower equal ${dieHeight}
|
|
variable disp_lower equal 0.01
|
|
variable disp_upper equal ${dieHeight}*0.9
|
|
variable disp_upper equal 0.01*0.9
|
|
variable max_disp equal ${dieRadius}*0.75
|
|
variable max_disp equal 0.004*0.75
|
|
run ${free_float_steps}
|
|
run 5000
|
|
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
|
|
Per MPI rank memory allocation (min/avg/max) = 72.31 | 72.31 | 72.31 Mbytes
|
|
Dt Step Atoms KinEng Volume v_disp_upper
|
|
4e-06 33000 200 6.1012168e-14 2.1e-06 0.009
|
|
4e-06 33100 200 6.7902539e-11 2.1e-06 0.009
|
|
4e-06 33200 200 2.0896758e-11 2.1e-06 0.009
|
|
4e-06 33300 200 2.5200405e-11 2.1e-06 0.009
|
|
4e-06 33400 200 2.1747895e-12 2.1e-06 0.009
|
|
4e-06 33500 200 1.1228817e-11 2.1e-06 0.009
|
|
4e-06 33600 200 3.3597579e-12 2.1e-06 0.009
|
|
4e-06 33700 200 1.4808583e-12 2.1e-06 0.009
|
|
4e-06 33800 200 3.5132295e-12 2.1e-06 0.009
|
|
4e-06 33900 200 8.2438639e-14 2.1e-06 0.009
|
|
4e-06 34000 200 1.3267378e-12 2.1e-06 0.009
|
|
4e-06 34100 200 6.2365031e-13 2.1e-06 0.009
|
|
4e-06 34200 200 1.1820072e-13 2.1e-06 0.009
|
|
4e-06 34300 200 5.2797742e-13 2.1e-06 0.009
|
|
4e-06 34400 200 3.2199555e-14 2.1e-06 0.009
|
|
4e-06 34500 200 1.553388e-13 2.1e-06 0.009
|
|
4e-06 34600 200 1.1458173e-13 2.1e-06 0.009
|
|
4e-06 34700 200 5.8686124e-15 2.1e-06 0.009
|
|
4e-06 34800 200 7.3486748e-14 2.1e-06 0.009
|
|
4e-06 34900 200 1.0877367e-14 2.1e-06 0.009
|
|
4e-06 35000 200 1.5284442e-14 2.1e-06 0.009
|
|
4e-06 35100 200 2.0294057e-14 2.1e-06 0.009
|
|
4e-06 35200 200 1.5385334e-17 2.1e-06 0.009
|
|
4e-06 35300 200 9.5858898e-15 2.1e-06 0.009
|
|
4e-06 35400 200 3.1985384e-15 2.1e-06 0.009
|
|
4e-06 35500 200 1.1327574e-15 2.1e-06 0.009
|
|
4e-06 35600 200 3.3810722e-15 2.1e-06 0.009
|
|
4e-06 35700 200 1.2867327e-16 2.1e-06 0.009
|
|
4e-06 35800 200 1.0755232e-15 2.1e-06 0.009
|
|
4e-06 35900 200 7.3381985e-16 2.1e-06 0.009
|
|
4e-06 36000 200 3.7750251e-17 2.1e-06 0.009
|
|
4e-06 36100 200 4.8518794e-16 2.1e-06 0.009
|
|
4e-06 36200 200 8.361623e-17 2.1e-06 0.009
|
|
4e-06 36300 200 8.9347649e-17 2.1e-06 0.009
|
|
4e-06 36400 200 1.4528409e-16 2.1e-06 0.009
|
|
4e-06 36500 200 8.2328133e-19 2.1e-06 0.009
|
|
4e-06 36600 200 5.9628413e-17 2.1e-06 0.009
|
|
4e-06 36700 200 2.857306e-17 2.1e-06 0.009
|
|
4e-06 36800 200 4.1078269e-18 2.1e-06 0.009
|
|
4e-06 36900 200 2.4094514e-17 2.1e-06 0.009
|
|
4e-06 37000 200 2.6153896e-18 2.1e-06 0.009
|
|
4e-06 37100 200 5.6577297e-18 2.1e-06 0.009
|
|
4e-06 37200 200 6.5849416e-18 2.1e-06 0.009
|
|
4e-06 37300 200 4.5596918e-21 2.1e-06 0.009
|
|
4e-06 37400 200 3.2329813e-18 2.1e-06 0.009
|
|
4e-06 37500 200 1.123288e-18 2.1e-06 0.009
|
|
4e-06 37600 200 3.4227094e-19 2.1e-06 0.009
|
|
4e-06 37700 200 1.1782135e-18 2.1e-06 0.009
|
|
4e-06 37800 200 6.9535961e-20 2.1e-06 0.009
|
|
4e-06 37900 200 3.4055174e-19 2.1e-06 0.009
|
|
4e-06 38000 200 2.8968649e-19 2.1e-06 0.009
|
|
Loop time of 2.65906 on 1 procs for 5000 steps with 200 atoms
|
|
|
|
99.6% CPU use with 1 MPI tasks x no OpenMP threads
|
|
|
|
MPI task timing breakdown:
|
|
Section | min time | avg time | max time |%varavg| %total
|
|
---------------------------------------------------------------
|
|
Pair | 1.5595 | 1.5595 | 1.5595 | 0.0 | 58.65
|
|
Neigh | 0.012904 | 0.012904 | 0.012904 | 0.0 | 0.49
|
|
Comm | 0.00041333 | 0.00041333 | 0.00041333 | 0.0 | 0.02
|
|
Output | 0.00053486 | 0.00053486 | 0.00053486 | 0.0 | 0.02
|
|
Modify | 1.0844 | 1.0844 | 1.0844 | 0.0 | 40.78
|
|
Other | | 0.001336 | | | 0.05
|
|
|
|
Nlocal: 200 ave 200 max 200 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: 3026 ave 3026 max 3026 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
|
|
Total # of neighbors = 3026
|
|
Ave neighs/atom = 15.13
|
|
Neighbor list builds = 83
|
|
Dangerous builds not checked
|
|
Total wall time: 0:00:18
|