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) 2 by 2 by 1 MPI processor grid reading atoms ... 10000 atoms reading velocities ... 10000 velocities read_data CPU = 0.114 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) = 12.65 | 12.67 | 12.68 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 0.00020283168 0.5786311 103595.49 -0.040960671 18000 0.00020319173 0 0.00020317141 0.57842387 103595.49 -0.042257076 19000 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0.00055519395 0 0.00055513843 0.56411926 103595.49 -0.090495063 120000 0.0005535194 0 0.00055346405 0.56424847 103595.49 -0.090915789 121000 0.00054781097 0 0.00054775619 0.56443756 103595.49 -0.090687173 122000 0.00054528815 0 0.00054523362 0.56401103 103595.49 -0.090443168 123000 0.0005456223 0 0.00054556773 0.56376875 103595.49 -0.090277114 124000 0.00054080131 0 0.00054074723 0.563306 103595.49 -0.091297668 125000 0.00054597 0 0.0005459154 0.56387718 103595.49 -0.091522394 126000 0.000544669 0 0.00054461453 0.56318185 103595.49 -0.091100523 127000 0.00054592361 0 0.00054586902 0.56328758 103595.49 -0.091299714 128000 0.00056246325 0 0.000562407 0.56296852 103595.49 -0.091491356 129000 0.00057655488 0 0.00057649723 0.56242057 103595.49 -0.091474584 130000 0.00060363901 0 0.00060357864 0.56182729 103595.49 -0.091367782 131000 0.00060590757 0 0.00060584698 0.56115572 103595.49 -0.090594163 132000 0.00061689139 0 0.0006168297 0.56029248 103595.49 -0.089857939 133000 0.00063288773 0 0.00063282444 0.55971427 103595.49 -0.08954619 134000 0.00064153654 0 0.00064147238 0.55929877 103595.49 -0.089860563 135000 0.00065473169 0 0.00065466622 0.5590797 103595.49 -0.089932375 136000 0.0006814182 0 0.00068135006 0.55797116 103595.49 -0.08929097 137000 0.00068344911 0 0.00068338077 0.55796657 103595.49 -0.089644888 138000 0.00071510067 0 0.00071502916 0.55752379 103595.49 -0.089734088 139000 0.00074772787 0 0.0007476531 0.55740054 103595.49 -0.089968295 140000 0.00072706311 0 0.0007269904 0.55659113 103595.49 -0.090370844 141000 0.0007179286 0 0.00071785681 0.55659012 103595.49 -0.089976688 142000 0.00072587657 0 0.00072580399 0.55589037 103595.49 -0.090532153 143000 0.00074470967 0 0.0007446352 0.55553128 103595.49 -0.091019969 144000 0.00071737422 0 0.00071730248 0.55555994 103595.49 -0.090926005 145000 0.00070363824 0 0.00070356787 0.55548936 103595.49 -0.0912353 146000 0.00069604487 0 0.00069597527 0.55540516 103595.49 -0.091656715 147000 0.00070047196 0 0.00070040191 0.55466746 103595.49 -0.092101291 148000 0.00069764904 0 0.00069757927 0.55460283 103595.49 -0.092334573 149000 0.00068884707 0 0.00068877819 0.55462796 103595.49 -0.0928736 150000 0.00067704593 0 0.00067697823 0.55520015 103595.49 -0.093512131 151000 0.00067702275 0 0.00067695505 0.55530068 103595.49 -0.094127311 152000 0.000690717 0 0.00069064792 0.55432538 103595.49 -0.094248615 153000 0.00067758953 0 0.00067752177 0.55460446 103595.49 -0.094839924 154000 0.00067748542 0 0.00067741767 0.55532529 103595.49 -0.095832411 155000 0.00068723442 0 0.0006871657 0.55637763 103595.49 -0.096838207 156000 0.00071590663 0 0.00071583504 0.5569485 103595.49 -0.097686166 157000 0.00078378647 0 0.0007837081 0.55755381 103595.49 -0.097968527 158000 0.00080144334 0 0.00080136319 0.55741023 103595.49 -0.098119361 159000 0.00079183165 0 0.00079175247 0.55756142 103595.49 -0.097925888 160000 0.00081212358 0 0.00081204237 0.55669124 103595.49 -0.098171108 161000 0.00082903843 0 0.00082895553 0.55608918 103595.49 -0.097827206 162000 0.00084257416 0 0.0008424899 0.5560239 103595.49 -0.096775743 163000 0.00086279615 0 0.00086270987 0.55550215 103595.49 -0.095981927 164000 0.00092139657 0 0.00092130443 0.55395137 103595.49 -0.095215338 165000 0.00095519936 0 0.00095510384 0.55376787 103595.49 -0.0945666 166000 0.00092201276 0 0.00092192056 0.55373794 103595.49 -0.093531233 167000 0.0008525194 0 0.00085243415 0.55375862 103595.49 -0.09389901 168000 0.00081977785 0 0.00081969587 0.5536646 103595.49 -0.093829746 169000 0.00079692467 0 0.00079684497 0.55416599 103595.49 -0.094433271 170000 0.00077787798 0 0.0007778002 0.55416629 103595.49 -0.095043413 171000 0.0007651362 0 0.00076505969 0.55418872 103595.49 -0.095212376 172000 0.00074631438 0 0.00074623975 0.55403881 103595.49 -0.095463949 173000 0.00074431288 0 0.00074423845 0.55415801 103595.49 -0.095319615 174000 0.00073924649 0 0.00073917257 0.55373682 103595.49 -0.094724272 175000 0.00070973165 0 0.00070966068 0.55393569 103595.49 -0.094201112 176000 0.00069820766 0 0.00069813784 0.55341229 103595.49 -0.093530469 177000 0.00070922657 0 0.00070915564 0.55282781 103595.49 -0.093282587 178000 0.00073688566 0 0.00073681197 0.55223248 103595.49 -0.092190554 179000 0.00072455886 0 0.0007244864 0.55244288 103595.49 -0.09182393 180000 0.00071894558 0 0.00071887369 0.55281517 103595.49 -0.092177032 181000 0.00071752475 0 0.000717453 0.55297293 103595.49 -0.09230934 182000 0.00072247421 0 0.00072240196 0.55287294 103595.49 -0.092465908 183000 0.00070596821 0 0.00070589761 0.5526242 103595.49 -0.092013313 184000 0.00072460909 0 0.00072453663 0.55230817 103595.49 -0.092211243 185000 0.00072499917 0 0.00072492667 0.55273387 103595.49 -0.092920761 186000 0.00072852698 0 0.00072845413 0.55358929 103595.49 -0.093428623 187000 0.00072515668 0 0.00072508417 0.55336733 103595.49 -0.093440126 188000 0.00071355728 0 0.00071348593 0.55408468 103595.49 -0.094819333 189000 0.00071703212 0 0.00071696042 0.55424355 103595.49 -0.096198144 190000 0.00071808849 0 0.00071801668 0.55504118 103595.49 -0.097199842 191000 0.00072458142 0 0.00072450896 0.55493515 103595.49 -0.097564772 192000 0.00071472504 0 0.00071465357 0.55572657 103595.49 -0.097663072 193000 0.00070803966 0 0.00070796886 0.55546116 103595.49 -0.097306162 194000 0.00068236077 0 0.00068229254 0.55581155 103595.49 -0.097141594 195000 0.00067304613 0 0.00067297882 0.55559507 103595.49 -0.096646489 196000 0.00066680808 0 0.0006667414 0.55512029 103595.49 -0.096241456 197000 0.00065829161 0 0.00065822578 0.55545375 103595.49 -0.095808778 198000 0.0006617611 0 0.00066169492 0.55551074 103595.49 -0.095423531 199000 0.00066805655 0 0.00066798975 0.55581298 103595.49 -0.095287337 200000 0.00067263902 0 0.00067257175 0.55601669 103595.49 -0.095551006 Loop time of 145.127 on 4 procs for 200000 steps with 10000 atoms Performance: 595339.507 tau/day, 1378.101 timesteps/s 100.0% CPU use with 4 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 57.89 | 91.946 | 113.82 | 229.7 | 63.36 Neigh | 0.34276 | 0.48607 | 0.56708 | 13.1 | 0.33 Comm | 6.569 | 28.916 | 63.505 | 417.0 | 19.92 Output | 0.0087178 | 0.011935 | 0.01563 | 2.3 | 0.01 Modify | 10.432 | 16.495 | 20.378 | 97.7 | 11.37 Other | | 7.272 | | | 5.01 Nlocal: 2500.00 ave 2990 max 1652 min Histogram: 1 0 0 0 0 1 0 0 0 2 Nghost: 228.000 ave 254 max 198 min Histogram: 1 0 1 0 0 0 0 0 0 2 Neighs: 8611.25 ave 10364 max 5676 min Histogram: 1 0 0 0 0 1 0 0 0 2 Total # of neighbors = 34445 Ave neighs/atom = 3.4445000 Neighbor list builds = 241 Dangerous builds = 0 Please see the log.cite file for references relevant to this simulation Total wall time: 0:02:25