LAMMPS (5 Oct 2016) variable name string mixer thermo_modify flush yes variable seed equal 14314 ############################################### # Particle parameters ################################################ variable rlo equal 0.3 variable rhi equal 0.6 variable dlo equal 2.0*${rlo} variable dlo equal 2.0*0.3 variable dhi equal 2.0*${rhi} variable dhi equal 2.0*0.6 variable skin equal ${rhi} variable skin equal 0.6 variable coeffRes equal 0.1 variable coeffFric equal 0.5 variable kn equal 10^5 variable kt equal 0.2*${kn} variable kt equal 0.2*100000 variable gravity equal 1.0 variable density equal 1.0 variable min_mass equal ${density}*4.0/3.0*PI*${rlo}*${rlo}*${rlo} variable min_mass equal 1*4.0/3.0*PI*${rlo}*${rlo}*${rlo} variable min_mass equal 1*4.0/3.0*PI*0.3*${rlo}*${rlo} variable min_mass equal 1*4.0/3.0*PI*0.3*0.3*${rlo} variable min_mass equal 1*4.0/3.0*PI*0.3*0.3*0.3 variable a equal (-2.0*log(${coeffRes})/PI)^2 variable a equal (-2.0*log(0.1)/PI)^2 variable gamma_n equal sqrt($a*2*${kn}/${min_mass}/(1+0.25*$a)) variable gamma_n equal sqrt(0.405284734569351*2*${kn}/${min_mass}/(1+0.25*$a)) variable gamma_n equal sqrt(0.405284734569351*2*100000/${min_mass}/(1+0.25*$a)) variable gamma_n equal sqrt(0.405284734569351*2*100000/0.113097335529233/(1+0.25*$a)) variable gamma_n equal sqrt(0.405284734569351*2*100000/0.113097335529233/(1+0.25*0.405284734569351)) variable gamma_t equal ${gamma_n}*0.5 variable gamma_t equal 806.699778405191*0.5 variable tcol equal PI/sqrt(2*${kn}/${min_mass}-${gamma_n}/4.0) variable tcol equal PI/sqrt(2*100000/${min_mass}-${gamma_n}/4.0) variable tcol equal PI/sqrt(2*100000/0.113097335529233-${gamma_n}/4.0) variable tcol equal PI/sqrt(2*100000/0.113097335529233-806.699778405191/4.0) variable dt equal ${tcol}*0.02 variable dt equal 0.00236257621510454*0.02 timestep ${dt} timestep 4.72515243020908e-05 ############################################### variable dumpfreq equal 1000 variable logfreq equal 1000 newton on atom_style sphere boundary p p f region boxreg block 0 20 0 20 0 20 create_box 1 boxreg Created orthogonal box = (0 0 0) to (20 20 20) 1 by 1 by 1 MPI processor grid pair_style gran/hertz/history ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 pair_style gran/hertz/history 100000 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 pair_style gran/hertz/history 100000 20000 ${gamma_n} ${gamma_t} ${coeffFric} 1 pair_style gran/hertz/history 100000 20000 806.699778405191 ${gamma_t} ${coeffFric} 1 pair_style gran/hertz/history 100000 20000 806.699778405191 403.349889202595 ${coeffFric} 1 pair_style gran/hertz/history 100000 20000 806.699778405191 403.349889202595 0.5 1 pair_coeff * * neighbor ${skin} bin neighbor 0.6 bin thermo ${logfreq} thermo 1000 comm_style brick comm_modify mode multi group all vel yes balance 1.1 shift xyz 20 1.1 Neighbor list info ... 2 neighbor list requests update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 0 ghost atom cutoff = 0 binsize = 20 -> bins = 1 1 1 fix bal all balance 10000 1.1 shift xyz 20 1.01 ####################### Options specific to pouring ######################### region insreg cylinder z 10 10 8 10 18 side in units box region cylreg cylinder z 10 10 10 0 20 side in units box variable theta equal (step/400000)*2*PI region b1 block 2 18 9 11 0 4 side out rotate v_theta 10 10 0 0 0 1 units box region b2 block 9 11 2 18 0 3.99999 side out rotate v_theta 10 10 0 0 0 1 units box region mixer intersect 3 cylreg b1 b2 side in fix grav all gravity ${gravity} vector 0 0 -1 fix grav all gravity 1 vector 0 0 -1 fix 1 all nve/sphere fix mixwall all wall/gran/region hertz/history ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region mixer fix mixwall all wall/gran/region hertz/history 100000 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region mixer fix mixwall all wall/gran/region hertz/history 100000 20000 ${gamma_n} ${gamma_t} ${coeffFric} 1 region mixer fix mixwall all wall/gran/region hertz/history 100000 20000 806.699778405191 ${gamma_t} ${coeffFric} 1 region mixer fix mixwall all wall/gran/region hertz/history 100000 20000 806.699778405191 403.349889202595 ${coeffFric} 1 region mixer fix mixwall all wall/gran/region hertz/history 100000 20000 806.699778405191 403.349889202595 0.5 1 region mixer fix ins all pour 1000 1 42424 region insreg diam range ${dlo} ${dhi} dens ${density} ${density} fix ins all pour 1000 1 42424 region insreg diam range 0.6 ${dhi} dens ${density} ${density} fix ins all pour 1000 1 42424 region insreg diam range 0.6 1.2 dens ${density} ${density} fix ins all pour 1000 1 42424 region insreg diam range 0.6 1.2 dens 1 ${density} fix ins all pour 1000 1 42424 region insreg diam range 0.6 1.2 dens 1 1 Particle insertion: 444 every 84653 steps, 1000 by step 169307 #dump 1 all custom ${dumpfreq} ${name}_pour.dump # id type mass diameter x y z #dump 2 all image 4000 image.*.jpg type type # axes yes 0.8 0.02 view 60 -30 zoom 1.5 # box no 0.0 axes no 0.0 0.0 #dump_modify 2 pad 6 thermo_style custom step cpu atoms ke v_theta WARNING: New thermo_style command, previous thermo_modify settings will be lost (../output.cpp:690) thermo_modify flush yes lost warn run 200000 Neighbor list info ... 2 neighbor list requests update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 1.8 ghost atom cutoff = 1.8 binsize = 0.9 -> bins = 23 23 23 Memory usage per processor = 2.80779 Mbytes Step CPU Atoms KinEng v_theta 0 0 0 -0 0 1000 0.16771817 444 -0 0.015707963 2000 0.33019304 444 -0 0.031415927 3000 0.4894321 444 -0 0.04712389 4000 0.64879322 444 -0 0.062831853 5000 0.80816507 444 -0 0.078539816 6000 0.96711302 444 -0 0.09424778 7000 1.1265812 444 -0 0.10995574 8000 1.286129 444 -0 0.12566371 9000 1.445487 444 -0 0.14137167 10000 1.6056392 444 -0 0.15707963 11000 1.7650061 444 -0 0.1727876 12000 1.9249642 444 -0 0.18849556 13000 2.0851831 444 -0 0.20420352 14000 2.244523 444 -0 0.21991149 15000 2.4043641 444 -0 0.23561945 16000 2.5638251 444 -0 0.25132741 17000 2.7155962 444 -0 0.26703538 18000 2.866904 444 -0 0.28274334 19000 3.0188181 444 -0 0.2984513 20000 3.17047 444 -0 0.31415927 21000 3.3214712 444 -0 0.32986723 22000 3.472692 444 -0 0.34557519 23000 3.6240032 444 -0 0.36128316 24000 3.7753551 444 -0 0.37699112 25000 3.926239 444 -0 0.39269908 26000 4.0782132 444 -0 0.40840704 27000 4.2301712 444 -0 0.42411501 28000 4.382267 444 -0 0.43982297 29000 4.5339992 444 -0 0.45553093 30000 4.6860211 444 -0 0.4712389 31000 4.8376751 444 -0 0.48694686 32000 4.989748 444 -0 0.50265482 33000 5.1418142 444 -0 0.51836279 34000 5.294476 444 -0 0.53407075 35000 5.4472861 444 -0 0.54977871 36000 5.5999811 444 -0 0.56548668 37000 5.7526181 444 -0 0.58119464 38000 5.9061031 444 -0 0.5969026 39000 6.0593271 444 -0 0.61261057 40000 6.2123802 444 -0 0.62831853 41000 6.3652351 444 -0 0.64402649 42000 6.5186551 444 -0 0.65973446 43000 6.672132 444 -0 0.67544242 44000 6.8245611 444 -0 0.69115038 45000 6.9778051 444 -0 0.70685835 46000 7.131258 444 -0 0.72256631 47000 7.2841291 444 -0 0.73827427 48000 7.4379101 444 -0 0.75398224 49000 7.5915 444 -0 0.7696902 50000 7.7461231 444 -0 0.78539816 51000 7.9047191 444 -0 0.80110613 52000 8.0634432 444 -0 0.81681409 53000 8.2226322 444 -0 0.83252205 54000 8.3817451 444 -0 0.84823002 55000 8.5419021 444 -0 0.86393798 56000 8.701194 444 -0 0.87964594 57000 8.8613491 444 -0 0.89535391 58000 9.0211501 444 -0 0.91106187 59000 9.180917 444 -0 0.92676983 60000 9.341964 444 -0 0.9424778 61000 9.5026722 444 -0 0.95818576 62000 9.6630561 444 -0 0.97389372 63000 9.8236201 444 -0 0.98960169 64000 9.9854801 444 -0 1.0053096 65000 10.148318 444 -0 1.0210176 66000 10.311267 444 -0 1.0367256 67000 10.476498 444 -0 1.0524335 68000 10.640768 444 -0 1.0681415 69000 10.804709 444 -0 1.0838495 70000 10.969271 444 -0 1.0995574 71000 11.133451 444 -0 1.1152654 72000 11.299253 444 -0 1.1309734 73000 11.463999 444 -0 1.1466813 74000 11.62903 444 -0 1.1623893 75000 11.795109 444 -0 1.1780972 76000 11.962154 444 -0 1.1938052 77000 12.1292 444 -0 1.2095132 78000 12.298106 444 -0 1.2252211 79000 12.46744 444 -0 1.2409291 80000 12.637916 444 -0 1.2566371 81000 12.808494 444 -0 1.272345 82000 12.97813 444 -0 1.288053 83000 13.149135 444 -0 1.303761 84000 13.32082 444 -0 1.3194689 85000 13.56205 888 -0 1.3351769 86000 13.908699 888 -0 1.3508848 87000 14.254615 888 -0 1.3665928 88000 14.600851 888 -0 1.3823008 89000 14.946295 888 -0 1.3980087 90000 15.291315 888 -0 1.4137167 91000 15.637396 888 -0 1.4294247 92000 15.981426 888 -0 1.4451326 93000 16.327519 888 -0 1.4608406 94000 16.675434 888 -0 1.4765485 95000 17.023515 888 -0 1.4922565 96000 17.372152 888 -0 1.5079645 97000 17.719346 888 -0 1.5236724 98000 18.067159 888 -0 1.5393804 99000 18.414599 888 -0 1.5550884 100000 18.764775 888 -0 1.5707963 101000 19.114239 888 -0 1.5865043 102000 19.464285 888 -0 1.6022123 103000 19.813956 888 -0 1.6179202 104000 20.163276 888 -0 1.6336282 105000 20.553808 888 -0 1.6493361 106000 20.904093 888 -0 1.6650441 107000 21.25918 888 -0 1.6807521 108000 21.615056 888 -0 1.69646 109000 21.971067 888 -0 1.712168 110000 22.326407 888 -0 1.727876 111000 22.68062 888 -0 1.7435839 112000 23.03653 888 -0 1.7592919 113000 23.39161 888 -0 1.7749998 114000 23.751273 888 -0 1.7907078 115000 24.106946 888 -0 1.8064158 116000 24.461182 888 -0 1.8221237 117000 24.797533 888 -0 1.8378317 118000 25.133924 888 -0 1.8535397 119000 25.472617 888 -0 1.8692476 120000 25.810786 888 -0 1.8849556 121000 26.147399 888 -0 1.9006636 122000 26.485868 888 -0 1.9163715 123000 26.82395 888 -0 1.9320795 124000 27.162345 888 -0 1.9477874 125000 27.501503 888 -0 1.9634954 126000 27.843318 888 -0 1.9792034 127000 28.183379 888 -0 1.9949113 128000 28.525406 888 -0 2.0106193 129000 28.869601 888 -0 2.0263273 130000 29.216232 888 -0 2.0420352 131000 29.562432 888 -0 2.0577432 132000 29.95624 888 -0 2.0734512 133000 30.308919 888 -0 2.0891591 134000 30.662184 888 -0 2.1048671 135000 31.015509 888 -0 2.120575 136000 31.366132 888 -0 2.136283 137000 31.71887 888 -0 2.151991 138000 32.0723 888 -0 2.1676989 139000 32.428657 888 -0 2.1834069 140000 32.781484 888 -0 2.1991149 141000 33.133593 888 -0 2.2148228 142000 33.487376 888 -0 2.2305308 143000 33.838656 888 -0 2.2462387 144000 34.188723 888 -0 2.2619467 145000 34.540083 888 -0 2.2776547 146000 34.895624 888 -0 2.2933626 147000 35.25153 888 -0 2.3090706 148000 35.607482 888 -0 2.3247786 149000 35.9642 888 -0 2.3404865 150000 36.321759 888 -0 2.3561945 151000 36.667172 888 -0 2.3719025 152000 37.013822 888 -0 2.3876104 153000 37.362735 888 -0 2.4033184 154000 37.712576 888 -0 2.4190263 155000 38.063528 888 -0 2.4347343 156000 38.414666 888 -0 2.4504423 157000 38.766119 888 -0 2.4661502 158000 39.115828 888 -0 2.4818582 159000 39.470874 888 -0 2.4975662 160000 39.827871 888 -0 2.5132741 161000 40.184885 888 -0 2.5289821 162000 40.543838 888 -0 2.54469 163000 40.901814 888 -0 2.560398 164000 41.258631 888 -0 2.576106 165000 41.619086 888 -0 2.5918139 166000 41.977332 888 -0 2.6075219 167000 42.33775 888 -0 2.6232299 168000 42.701344 888 -0 2.6389378 169000 43.067663 888 -0 2.6546458 170000 43.461687 1000 -0 2.6703538 171000 43.866086 1000 -0 2.6860617 172000 44.271406 1000 -0 2.7017697 173000 44.677085 1000 -0 2.7174776 174000 45.082441 1000 -0 2.7331856 175000 45.491593 1000 -0 2.7488936 176000 45.903002 1000 -0 2.7646015 177000 46.315031 1000 -0 2.7803095 178000 46.726531 1000 -0 2.7960175 179000 47.140818 1000 -0 2.8117254 180000 47.553784 1000 -0 2.8274334 181000 47.964021 1000 -0 2.8431414 182000 48.376739 1000 -0 2.8588493 183000 48.789612 1000 -0 2.8745573 184000 49.204073 1000 -0 2.8902652 185000 49.642401 1000 -0 2.9059732 186000 50.083479 1000 -0 2.9216812 187000 50.523357 1000 -0 2.9373891 188000 50.963685 1000 -0 2.9530971 189000 51.404166 1000 -0 2.9688051 190000 51.849094 1000 -0 2.984513 191000 52.291805 1000 -0 3.000221 192000 52.731855 1000 -0 3.0159289 193000 53.174104 1000 -0 3.0316369 194000 53.619739 1000 -0 3.0473449 195000 54.061019 1000 -0 3.0630528 196000 54.501149 1000 -0 3.0787608 197000 54.940486 1000 -0 3.0944688 198000 55.381843 1000 -0 3.1101767 199000 55.822243 1000 -0 3.1258847 200000 56.264319 1000 -0 3.1415927 Loop time of 56.2643 on 1 procs for 200000 steps with 1000 atoms Performance: 14511.970 tau/day, 3554.650 timesteps/s 99.9% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 4.6309 | 4.6309 | 4.6309 | 0.0 | 8.23 Neigh | 0.071456 | 0.071456 | 0.071456 | 0.0 | 0.13 Comm | 0.50064 | 0.50064 | 0.50064 | 0.0 | 0.89 Output | 0.0039163 | 0.0039163 | 0.0039163 | 0.0 | 0.01 Modify | 50.189 | 50.189 | 50.189 | 0.0 | 89.20 Other | | 0.8688 | | | 1.54 Nlocal: 1000 ave 1000 max 1000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 183 ave 183 max 183 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 3926 ave 3926 max 3926 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 3926 Ave neighs/atom = 3.926 Neighbor list builds = 217 Dangerous builds = 0 unfix ins run 200000 Neighbor list info ... 2 neighbor list requests update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 1.79826 ghost atom cutoff = 1.79826 binsize = 0.899132 -> bins = 23 23 23 Memory usage per processor = 8.62017 Mbytes Step CPU Atoms KinEng v_theta 200000 0 1000 0.90078559 3.1415927 201000 0.44072509 1000 0.90377135 3.1573006 202000 0.8800211 1000 0.89194106 3.1730086 203000 1.3210881 1000 0.8940532 3.1887165 204000 1.762887 1000 0.8967696 3.2044245 205000 2.2080901 1000 0.89758718 3.2201325 206000 2.6548181 1000 0.89434418 3.2358404 207000 3.1002531 1000 0.87633906 3.2515484 208000 3.547334 1000 0.86721615 3.2672564 209000 3.993988 1000 0.86214817 3.2829643 210000 4.4423161 1000 0.85463743 3.2986723 211000 4.889446 1000 0.85744914 3.3143802 212000 5.3357229 1000 0.84702799 3.3300882 213000 5.780273 1000 0.84375104 3.3457962 214000 6.2249129 1000 0.83820701 3.3615041 215000 6.670651 1000 0.83566708 3.3772121 216000 7.113143 1000 0.83620798 3.3929201 217000 7.5359521 1000 0.83581605 3.408628 218000 7.9623129 1000 0.84045719 3.424336 219000 8.3878851 1000 0.85410521 3.440044 220000 8.8153811 1000 0.84336839 3.4557519 221000 9.244349 1000 0.85145747 3.4714599 222000 9.6728511 1000 0.8476916 3.4871678 223000 10.104052 1000 0.8412701 3.5028758 224000 10.532736 1000 0.8390277 3.5185838 225000 10.959564 1000 0.8359107 3.5342917 226000 11.38617 1000 0.83920631 3.5499997 227000 11.814104 1000 0.83930526 3.5657077 228000 12.241758 1000 0.83152308 3.5814156 229000 12.67198 1000 0.81211079 3.5971236 230000 13.101597 1000 0.80395018 3.6128316 231000 13.532943 1000 0.79991397 3.6285395 232000 13.969412 1000 0.80828959 3.6442475 233000 14.403885 1000 0.80892923 3.6599554 234000 14.833452 1000 0.82048914 3.6756634 235000 15.266211 1000 0.8174713 3.6913714 236000 15.697822 1000 0.81898551 3.7070793 237000 16.133023 1000 0.82034714 3.7227873 238000 16.569559 1000 0.81950728 3.7384953 239000 17.006308 1000 0.82152915 3.7542032 240000 17.445493 1000 0.83217597 3.7699112 241000 17.885585 1000 0.83464253 3.7856191 242000 18.324268 1000 0.84326166 3.8013271 243000 18.763748 1000 0.84235055 3.8170351 244000 19.203869 1000 0.83325408 3.832743 245000 19.645 1000 0.82577315 3.848451 246000 20.08666 1000 0.83923456 3.864159 247000 20.530596 1000 0.84153419 3.8798669 248000 20.971984 1000 0.85768309 3.8955749 249000 21.413571 1000 0.86910799 3.9112829 250000 21.854153 1000 0.8775521 3.9269908 251000 22.302884 1000 0.87299296 3.9426988 252000 22.753789 1000 0.86613861 3.9584067 253000 23.202458 1000 0.85513456 3.9741147 254000 23.655372 1000 0.84629733 3.9898227 255000 24.108225 1000 0.84154885 4.0055306 256000 24.561535 1000 0.84162715 4.0212386 257000 25.012338 1000 0.83959672 4.0369466 258000 25.466506 1000 0.83577695 4.0526545 259000 25.919168 1000 0.83021368 4.0683625 260000 26.37215 1000 0.81106893 4.0840704 261000 26.823834 1000 0.79884608 4.0997784 262000 27.276505 1000 0.78360303 4.1154864 263000 27.728503 1000 0.77030843 4.1311943 264000 28.181969 1000 0.76127974 4.1469023 265000 28.636329 1000 0.75553065 4.1626103 266000 29.090593 1000 0.75332019 4.1783182 267000 29.549547 1000 0.74670528 4.1940262 268000 30.008774 1000 0.74216141 4.2097342 269000 30.463826 1000 0.74564756 4.2254421 270000 30.920159 1000 0.7416035 4.2411501 271000 31.377192 1000 0.73061389 4.256858 272000 31.836268 1000 0.71620113 4.272566 273000 32.291662 1000 0.70840181 4.288274 274000 32.743646 1000 0.70946906 4.3039819 275000 33.197723 1000 0.70418049 4.3196899 276000 33.651405 1000 0.69591327 4.3353979 277000 34.106289 1000 0.69499716 4.3511058 278000 34.564324 1000 0.69242545 4.3668138 279000 35.020887 1000 0.69690811 4.3825218 280000 35.478222 1000 0.70402124 4.3982297 281000 35.938226 1000 0.71936578 4.4139377 282000 36.39808 1000 0.72439386 4.4296456 283000 36.855587 1000 0.72221632 4.4453536 284000 37.309629 1000 0.70387029 4.4610616 285000 37.791869 1000 0.70505716 4.4767695 286000 38.277853 1000 0.70731734 4.4924775 287000 38.764774 1000 0.71149743 4.5081855 288000 39.24815 1000 0.70994023 4.5238934 289000 39.728005 1000 0.69794225 4.5396014 290000 40.206798 1000 0.6905751 4.5553093 291000 40.678802 1000 0.68652972 4.5710173 292000 41.147991 1000 0.6743341 4.5867253 293000 41.618836 1000 0.67357205 4.6024332 294000 42.08982 1000 0.66465346 4.6181412 295000 42.561323 1000 0.65587678 4.6338492 296000 43.034196 1000 0.65455827 4.6495571 297000 43.505748 1000 0.65135145 4.6652651 298000 43.975299 1000 0.65400349 4.6809731 299000 44.447556 1000 0.66186899 4.696681 300000 44.926073 1000 0.66844193 4.712389 301000 45.402658 1000 0.67720506 4.7280969 302000 45.880643 1000 0.68554918 4.7438049 303000 46.359444 1000 0.69321489 4.7595129 304000 46.841542 1000 0.70345329 4.7752208 305000 47.323539 1000 0.70172137 4.7909288 306000 47.809358 1000 0.70989191 4.8066368 307000 48.291664 1000 0.70546377 4.8223447 308000 48.770327 1000 0.70820389 4.8380527 309000 49.248974 1000 0.69637815 4.8537606 310000 49.72965 1000 0.68679532 4.8694686 311000 50.204503 1000 0.68824984 4.8851766 312000 50.683502 1000 0.68647935 4.9008845 313000 51.161407 1000 0.68289956 4.9165925 314000 51.638365 1000 0.68356788 4.9323005 315000 52.114341 1000 0.68269829 4.9480084 316000 52.590791 1000 0.67961769 4.9637164 317000 53.043198 1000 0.67437047 4.9794244 318000 53.499062 1000 0.66534726 4.9951323 319000 53.954004 1000 0.66052125 5.0108403 320000 54.409776 1000 0.65351962 5.0265482 321000 54.867935 1000 0.64155441 5.0422562 322000 55.324528 1000 0.63463177 5.0579642 323000 55.780399 1000 0.62945691 5.0736721 324000 56.239189 1000 0.63156746 5.0893801 325000 56.697767 1000 0.63883759 5.1050881 326000 57.155746 1000 0.64703516 5.120796 327000 57.618744 1000 0.65532057 5.136504 328000 58.083021 1000 0.66697061 5.152212 329000 58.547646 1000 0.66896271 5.1679199 330000 59.011518 1000 0.66551963 5.1836279 331000 59.478689 1000 0.65083894 5.1993358 332000 59.94887 1000 0.65171641 5.2150438 333000 60.416096 1000 0.65122777 5.2307518 334000 60.889826 1000 0.65844334 5.2464597 335000 61.363105 1000 0.66931264 5.2621677 336000 61.832482 1000 0.66847415 5.2778757 337000 62.300731 1000 0.65863495 5.2935836 338000 62.769011 1000 0.64977739 5.3092916 339000 63.232862 1000 0.6454395 5.3249995 340000 63.699228 1000 0.63484999 5.3407075 341000 64.165101 1000 0.62753448 5.3564155 342000 64.631118 1000 0.62781442 5.3721234 343000 65.099469 1000 0.63813963 5.3878314 344000 65.576568 1000 0.6485183 5.4035394 345000 66.054068 1000 0.67111606 5.4192473 346000 66.531747 1000 0.68435581 5.4349553 347000 67.007296 1000 0.69526046 5.4506633 348000 67.478242 1000 0.6876531 5.4663712 349000 67.944422 1000 0.67962108 5.4820792 350000 68.410281 1000 0.6800934 5.4977871 351000 68.862112 1000 0.67658657 5.5134951 352000 69.316476 1000 0.67043355 5.5292031 353000 69.76356 1000 0.66863154 5.544911 354000 70.212144 1000 0.65806572 5.560619 355000 70.658375 1000 0.6498301 5.576327 356000 71.103688 1000 0.64384284 5.5920349 357000 71.551545 1000 0.64228421 5.6077429 358000 72.001238 1000 0.6408188 5.6234508 359000 72.45158 1000 0.64388002 5.6391588 360000 72.906369 1000 0.64347896 5.6548668 361000 73.358316 1000 0.65055455 5.6705747 362000 73.814119 1000 0.65545061 5.6862827 363000 74.277034 1000 0.6667431 5.7019907 364000 74.737593 1000 0.6869856 5.7176986 365000 75.20209 1000 0.69651407 5.7334066 366000 75.667448 1000 0.70824091 5.7491146 367000 76.132389 1000 0.7144853 5.7648225 368000 76.596067 1000 0.71780876 5.7805305 369000 77.059749 1000 0.7159398 5.7962384 370000 77.519236 1000 0.70648968 5.8119464 371000 77.977404 1000 0.69796557 5.8276544 372000 78.434017 1000 0.69876891 5.8433623 373000 78.887217 1000 0.70908957 5.8590703 374000 79.341658 1000 0.70831124 5.8747783 375000 79.802381 1000 0.70631178 5.8904862 376000 80.265165 1000 0.70533876 5.9061942 377000 80.727821 1000 0.70097225 5.9219022 378000 81.187538 1000 0.70139806 5.9376101 379000 81.645627 1000 0.69691027 5.9533181 380000 82.105692 1000 0.69163881 5.969026 381000 82.56483 1000 0.68973183 5.984734 382000 83.025126 1000 0.68059207 6.000442 383000 83.482786 1000 0.68096466 6.0161499 384000 83.939808 1000 0.6698933 6.0318579 385000 84.418408 1000 0.66795846 6.0475659 386000 84.898757 1000 0.66153854 6.0632738 387000 85.376756 1000 0.66560025 6.0789818 388000 85.853575 1000 0.66671699 6.0946897 389000 86.32865 1000 0.66013733 6.1103977 390000 86.807772 1000 0.66181942 6.1261057 391000 87.290335 1000 0.66281334 6.1418136 392000 87.773899 1000 0.66657879 6.1575216 393000 88.248567 1000 0.66608992 6.1732296 394000 88.723817 1000 0.66128929 6.1889375 395000 89.200089 1000 0.65764538 6.2046455 396000 89.671826 1000 0.65073015 6.2203535 397000 90.142595 1000 0.64967355 6.2360614 398000 90.616654 1000 0.65193957 6.2517694 399000 91.093856 1000 0.64936977 6.2674773 400000 91.571678 1000 0.65849743 6.2831853 Loop time of 91.5717 on 1 procs for 200000 steps with 1000 atoms Performance: 8916.580 tau/day, 2184.081 timesteps/s 99.9% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 13.827 | 13.827 | 13.827 | 0.0 | 15.10 Neigh | 0.097679 | 0.097679 | 0.097679 | 0.0 | 0.11 Comm | 1.5668 | 1.5668 | 1.5668 | 0.0 | 1.71 Output | 0.0042615 | 0.0042615 | 0.0042615 | 0.0 | 0.00 Modify | 74.804 | 74.804 | 74.804 | 0.0 | 81.69 Other | | 1.273 | | | 1.39 Nlocal: 1000 ave 1000 max 1000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 289 ave 289 max 289 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 5091 ave 5091 max 5091 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 5091 Ave neighs/atom = 5.091 Neighbor list builds = 160 Dangerous builds = 0 Total wall time: 0:02:27