187 lines
5.9 KiB
Groff
187 lines
5.9 KiB
Groff
LAMMPS (19 Nov 2024 - Development - patch_5May2020-20901-g8641486249-modified)
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# Example problem demonstrating the use of synchronized_verlet
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# Refer https://doi.org/10.1016/j.cpc.2025.109524 for further details
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units si
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atom_style sphere
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newton off
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boundary p p f
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read_data 3ps.dat
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Reading data file ...
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orthogonal box = (-0.03 -0.02 -0.02) to (0.03 0.02 0.02)
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1 by 1 by 1 MPI processor grid
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reading atoms ...
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3 atoms
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reading velocities ...
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3 velocities
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read_data CPU = 0.003 seconds
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group ps type 1
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2 atoms in group ps
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group fine type 2
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1 atoms in group fine
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pair_style granular
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pair_coeff * * hooke 1e4 0.5 tangential linear_history 8235 0 0.5 damping coeff_restitution synchronized_verlet
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# pair_coeff * * hertz/material 5e8 0.5 0.3 tangential mindlin NULL 0.0 0.5 damping coeff_restitution #synchronized_verlet
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timestep 1e-6
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fix frz ps freeze
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fix g fine gravity 9.81 vector 0 0 -1
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fix 1 fine nve/sphere
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fix 2 all wall/gran granular hooke 1e4 0.5 tangential linear_history 8235 0 0.5 damping coeff_restitution zplane $(zlo) $(zhi)
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fix 2 all wall/gran granular hooke 1e4 0.5 tangential linear_history 8235 0 0.5 damping coeff_restitution zplane -0.020000000000000000416 $(zhi)
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fix 2 all wall/gran granular hooke 1e4 0.5 tangential linear_history 8235 0 0.5 damping coeff_restitution zplane -0.020000000000000000416 0.020000000000000000416
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dump 1 all custom 3000 op.dump id x y z vx vy vz type diameter
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comm_modify vel yes
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thermo 3000
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thermo_style custom step ke
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run_style verlet
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run 300000
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Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
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Neighbor list info ...
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update: every = 1 steps, delay = 0 steps, check = yes
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max neighbors/atom: 2000, page size: 100000
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master list distance cutoff = 0.011
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ghost atom cutoff = 0.011
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binsize = 0.0055, bins = 11 8 8
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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) = 10.34 | 10.34 | 10.34 Mbytes
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Step KinEng
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0 0
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3000 7.7090573e-16
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6000 3.11122e-15
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9000 7.1189829e-15
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12000 1.2962539e-14
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15000 2.0887458e-14
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18000 3.1226589e-14
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21000 4.4413694e-14
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24000 6.1001238e-14
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27000 8.1683111e-14
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30000 1.0732325e-13
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33000 1.3899142e-13
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36000 1.7800759e-13
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39000 2.2599689e-13
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42000 2.849574e-13
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45000 3.5734355e-13
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48000 4.4616861e-13
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51000 5.5513052e-13
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54000 6.8876606e-13
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57000 8.5263971e-13
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60000 1.0535747e-12
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63000 1.2999356e-12
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66000 1.6019734e-12
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69000 1.9722472e-12
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72000 2.4261384e-12
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75000 2.9824767e-12
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78000 3.6643038e-12
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81000 4.4997992e-12
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84000 5.5234053e-12
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87000 6.7771879e-12
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90000 8.3124767e-12
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93000 1.0191838e-11
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96000 1.2491433e-11
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99000 1.5303816e-11
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102000 1.8741238e-11
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105000 2.2939491e-11
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108000 2.8062329e-11
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111000 3.4306457e-11
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114000 4.1907005e-11
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117000 5.114332e-11
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120000 6.2344723e-11
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123000 7.5895667e-11
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126000 9.2239362e-11
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129000 1.118785e-10
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132000 1.3537107e-10
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135000 1.6331855e-10
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138000 1.96343e-10
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141000 2.3504868e-10
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144000 2.799638e-10
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147000 4.4767299e-10
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150000 8.5696526e-10
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153000 1.4079769e-09
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156000 2.1007079e-09
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159000 2.9351582e-09
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162000 3.9113279e-09
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165000 5.029217e-09
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168000 6.2888254e-09
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171000 7.6901531e-09
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174000 9.2332002e-09
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177000 1.0917967e-08
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180000 1.2744453e-08
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183000 1.4712658e-08
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186000 1.6822582e-08
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189000 1.9074226e-08
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192000 2.1467589e-08
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195000 2.4002672e-08
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198000 2.6679474e-08
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201000 2.9497995e-08
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204000 3.2458236e-08
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207000 6.543991e-09
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210000 5.3049419e-09
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213000 4.2076122e-09
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216000 3.2520018e-09
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219000 2.4381108e-09
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222000 1.7659392e-09
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225000 1.2354868e-09
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228000 8.4675389e-10
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231000 5.997403e-10
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234000 4.9444606e-10
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237000 5.3087117e-10
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240000 7.0901564e-10
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243000 1.0288795e-09
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246000 1.4904626e-09
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249000 2.0937652e-09
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252000 2.8387871e-09
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255000 3.7255283e-09
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258000 4.7539889e-09
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261000 5.9241689e-09
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264000 7.2360682e-09
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267000 1.6704365e-09
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270000 1.161387e-09
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273000 7.9405678e-10
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276000 5.6844595e-10
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279000 4.8455448e-10
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282000 5.4238236e-10
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285000 7.419296e-10
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288000 1.0831962e-09
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291000 1.5661821e-09
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294000 8.41555e-10
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297000 5.7599278e-10
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300000 4.5214992e-10
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Loop time of 0.193539 on 1 procs for 300000 steps with 3 atoms
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98.8% 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 | 0.064036 | 0.064036 | 0.064036 | 0.0 | 33.09
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Neigh | 0.00015725 | 0.00015725 | 0.00015725 | 0.0 | 0.08
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Comm | 0.027944 | 0.027944 | 0.027944 | 0.0 | 14.44
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Output | 0.002992 | 0.002992 | 0.002992 | 0.0 | 1.55
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Modify | 0.059704 | 0.059704 | 0.059704 | 0.0 | 30.85
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Other | | 0.03871 | | | 20.00
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Nlocal: 3 ave 3 max 3 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Nghost: 1 ave 1 max 1 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 1 ave 1 max 1 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 1
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Ave neighs/atom = 0.33333333
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Neighbor list builds = 70
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Dangerous builds = 0
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Total wall time: 0:00:00
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