LAMMPS (24 Dec 2020) OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:97) using 1 OpenMP thread(s) per MPI task # Shear power-law distributed granular particles units lj atom_style sphere dimension 2 read_data data.powerlaw Reading data file ... triclinic box = (9.9514336 9.9514336 0.0000000) to (331.81396 331.81396 1.0000000) with tilt (0.0000000 0.0000000 0.0000000) 1 by 1 by 1 MPI processor grid reading atoms ... 10000 atoms reading velocities ... 10000 velocities read_data CPU = 0.027 seconds change_box all triclinic Changing box ... triclinic box = (9.9514336 9.9514336 0.0000000) to (331.81396 331.81396 1.0000000) with tilt (0.0000000 0.0000000 0.0000000) # multi neighbor and comm for efficiency neighbor 1 multi neigh_modify delay 0 collection/interval 6 1.5 3 10 30 100 200 comm_modify mode multi vel yes reduce/multi # granular potential pair_style granular pair_coeff * * hooke 20.0 0.5 tangential linear_history 1.0 0.5 0.1 damping mass_velocity # fixes fix 1 all nve/sphere fix 2 all enforce2d fix 3 all deform 1 xy erate 1e-4 # dump 1 all custom 20000 dump.granular id x y z radius thermo_style custom step temp epair etotal press vol pxy thermo 1000 timestep 0.005 run 200000 Neighbor list info ... update every 1 steps, delay 0 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 164.7888 ghost atom cutoff = 164.7888 binsize = 82.3944, bins = 4 4 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair granular, perpetual attributes: half, newton on, size, history pair build: half/size/multi/newton/tri stencil: half/multi/2d/tri bin: multi Per MPI rank memory allocation (min/avg/max) = 14.77 | 14.77 | 14.77 Mbytes Step Temp E_pair TotEng Press Volume Pxy 0 4.9204851e-05 0 4.9199931e-05 0.61204991 103595.49 -0.00083309917 1000 0.00038076464 0 0.00038072657 0.58694623 103595.49 -0.0066712806 2000 0.00027986478 0 0.00027983679 0.5845274 103595.49 -0.008880933 3000 0.00022105227 0 0.00022103017 0.58295464 103595.49 -0.011327442 4000 0.00020888366 0 0.00020886277 0.5826542 103595.49 -0.014147424 5000 0.00019912663 0 0.00019910672 0.58175837 103595.49 -0.015685634 6000 0.0001989441 0 0.00019892421 0.58170841 103595.49 -0.017379973 7000 0.00019307783 0 0.00019305852 0.58133913 103595.49 -0.019556709 8000 0.00018132444 0 0.00018130631 0.58134077 103595.49 -0.021609399 9000 0.00017909088 0 0.00017907297 0.58117179 103595.49 -0.023603514 10000 0.00018391928 0 0.00018390089 0.58070675 103595.49 -0.026026784 11000 0.00018985439 0 0.00018983541 0.58006086 103595.49 -0.028574238 12000 0.00018903569 0 0.00018901678 0.5794232 103595.49 -0.031151884 13000 0.00019070382 0 0.00019068475 0.57890243 103595.49 -0.033469404 14000 0.00019371625 0 0.00019369688 0.5787389 103595.49 -0.035646526 15000 0.00019833475 0 0.00019831492 0.57883166 103595.49 -0.037709788 16000 0.0002011729 0 0.00020115278 0.57875606 103595.49 -0.039452453 17000 0.00020285197 0 0.00020283169 0.5786311 103595.49 -0.040960671 18000 0.00020319174 0 0.00020317142 0.57842387 103595.49 -0.042257072 19000 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133000 0.00062544817 0 0.00062538563 0.5594761 103595.49 -0.088989624 134000 0.00063457749 0 0.00063451403 0.55917757 103595.49 -0.089702278 135000 0.00065371789 0 0.00065365252 0.55885043 103595.49 -0.090030252 136000 0.00070050714 0 0.00070043709 0.55854751 103595.49 -0.08960124 137000 0.0006750775 0 0.00067501 0.55809563 103595.49 -0.090252473 138000 0.00068827043 0 0.0006882016 0.55806674 103595.49 -0.090238994 139000 0.00069748073 0 0.00069741098 0.55734587 103595.49 -0.090118549 140000 0.00071065284 0 0.00071058177 0.55711669 103595.49 -0.090336074 141000 0.00070994204 0 0.00070987104 0.55638115 103595.49 -0.089917062 142000 0.00071514386 0 0.00071507235 0.55614391 103595.49 -0.090392071 143000 0.00071334667 0 0.00071327533 0.55640687 103595.49 -0.091256718 144000 0.00069553102 0 0.00069546147 0.55705702 103595.49 -0.091761396 145000 0.00068849503 0 0.00068842618 0.55692035 103595.49 -0.091895738 146000 0.00068407816 0 0.00068400975 0.55660026 103595.49 -0.092191588 147000 0.00069521557 0 0.00069514605 0.55556456 103595.49 -0.092354739 148000 0.00068349281 0 0.00068342446 0.55537498 103595.49 -0.092914636 149000 0.00067959644 0 0.00067952848 0.55537695 103595.49 -0.093738463 150000 0.00067100566 0 0.00067093856 0.55544851 103595.49 -0.094104003 151000 0.00068044722 0 0.00068037917 0.5554655 103595.49 -0.094943239 152000 0.00068109012 0 0.00068102201 0.55585405 103595.49 -0.095355111 153000 0.00068666181 0 0.00068659314 0.55501583 103595.49 -0.095234652 154000 0.00068283406 0 0.00068276578 0.55644996 103595.49 -0.095902623 155000 0.00069836346 0 0.00069829363 0.55747472 103595.49 -0.096978444 156000 0.00072807264 0 0.00072799984 0.55807332 103595.49 -0.097415305 157000 0.00077300609 0 0.00077292879 0.55871196 103595.49 -0.098034508 158000 0.00081631408 0 0.00081623245 0.558479 103595.49 -0.09825722 159000 0.00079291984 0 0.00079284054 0.55784788 103595.49 -0.097758094 160000 0.0008203256 0 0.00082024357 0.55700259 103595.49 -0.097519328 161000 0.00081471235 0 0.00081463087 0.556622 103595.49 -0.097787992 162000 0.00080692462 0 0.00080684393 0.5566795 103595.49 -0.097210216 163000 0.00081149678 0 0.00081141564 0.55596697 103595.49 -0.097517476 164000 0.00081577795 0 0.00081569637 0.55569684 103595.49 -0.096908869 165000 0.00084604988 0 0.00084596528 0.55492052 103595.49 -0.095481627 166000 0.00082198923 0 0.00082190703 0.5552628 103595.49 -0.09477531 167000 0.00084903108 0 0.00084894618 0.55477991 103595.49 -0.094758799 168000 0.00081613582 0 0.00081605421 0.55508416 103595.49 -0.094804088 169000 0.00083341061 0 0.00083332727 0.55476794 103595.49 -0.094519882 170000 0.00077835092 0 0.00077827308 0.55516626 103595.49 -0.094843673 171000 0.00074843733 0 0.00074836249 0.55417469 103595.49 -0.094731356 172000 0.0007425125 0 0.00074243825 0.55431854 103595.49 -0.095174333 173000 0.00074144093 0 0.00074136678 0.55429464 103595.49 -0.094982598 174000 0.00072375323 0 0.00072368086 0.55421045 103595.49 -0.09489531 175000 0.0007270779 0 0.00072700519 0.55413607 103595.49 -0.094197685 176000 0.00071114682 0 0.00071107571 0.55342226 103595.49 -0.093083865 177000 0.00069325125 0 0.00069318193 0.55441386 103595.49 -0.093289572 178000 0.00067686202 0 0.00067679434 0.55504892 103595.49 -0.093512587 179000 0.00068326039 0 0.00068319206 0.55519365 103595.49 -0.093974329 180000 0.00075070045 0 0.00075062538 0.55415541 103595.49 -0.09327459 181000 0.00077670344 0 0.00077662577 0.55328725 103595.49 -0.092373689 182000 0.00077422781 0 0.00077415038 0.553131 103595.49 -0.092353979 183000 0.00080250542 0 0.00080242517 0.5519122 103595.49 -0.091897169 184000 0.00081235214 0 0.00081227091 0.55172769 103595.49 -0.091906209 185000 0.00078879443 0 0.00078871555 0.55145488 103595.49 -0.091198506 186000 0.00078497746 0 0.00078489896 0.55202944 103595.49 -0.091674987 187000 0.00079483049 0 0.000794751 0.55278073 103595.49 -0.092508295 188000 0.00079056756 0 0.0007904885 0.55362903 103595.49 -0.092801369 189000 0.00079162262 0 0.00079154346 0.55429061 103595.49 -0.092964781 190000 0.00078121133 0 0.00078113321 0.55386716 103595.49 -0.092689851 191000 0.00076574893 0 0.00076567235 0.5546533 103595.49 -0.093414672 192000 0.00076215201 0 0.0007620758 0.55503049 103595.49 -0.093986391 193000 0.00075652635 0 0.0007564507 0.55477696 103595.49 -0.094417347 194000 0.00075725781 0 0.00075718208 0.55457687 103595.49 -0.094241721 195000 0.0007434693 0 0.00074339496 0.55471575 103595.49 -0.094102015 196000 0.00073792493 0 0.00073785114 0.55463671 103595.49 -0.094452279 197000 0.00074673445 0 0.00074665978 0.55459327 103595.49 -0.09463863 198000 0.00072734835 0 0.00072727561 0.55514628 103595.49 -0.094622434 199000 0.00071846919 0 0.00071839734 0.55501969 103595.49 -0.094414887 200000 0.00072384651 0 0.00072377412 0.55533335 103595.49 -0.094159469 Loop time of 443.321 on 1 procs for 200000 steps with 10000 atoms Performance: 194892.839 tau/day, 451.141 timesteps/s 100.0% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 362.28 | 362.28 | 362.28 | 0.0 | 81.72 Neigh | 1.737 | 1.737 | 1.737 | 0.0 | 0.39 Comm | 5.0082 | 5.0082 | 5.0082 | 0.0 | 1.13 Output | 0.01774 | 0.01774 | 0.01774 | 0.0 | 0.00 Modify | 64.992 | 64.992 | 64.992 | 0.0 | 14.66 Other | | 9.286 | | | 2.09 Nlocal: 10000.0 ave 10000 max 10000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 487.000 ave 487 max 487 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 34427.0 ave 34427 max 34427 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 34427 Ave neighs/atom = 3.4427000 Neighbor list builds = 244 Dangerous builds = 0 Please see the log.cite file for references relevant to this simulation Total wall time: 0:07:23