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 2 by 2 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 = 2.76258 Mbytes Step CPU Atoms KinEng v_theta 0 0 0 -0 0 1000 0.10398197 444 -0 0.015707963 2000 0.20485091 444 -0 0.031415927 3000 0.3069241 444 -0 0.04712389 4000 0.40875912 444 -0 0.062831853 5000 0.50989199 444 -0 0.078539816 6000 0.60949397 444 -0 0.09424778 7000 0.708915 444 -0 0.10995574 8000 0.80870605 444 -0 0.12566371 9000 0.90752602 444 -0 0.14137167 10000 1.0054469 444 -0 0.15707963 11000 1.072515 444 -0 0.1727876 12000 1.139096 444 -0 0.18849556 13000 1.2049479 444 -0 0.20420352 14000 1.2707851 444 -0 0.21991149 15000 1.3377919 444 -0 0.23561945 16000 1.405757 444 -0 0.25132741 17000 1.471797 444 -0 0.26703538 18000 1.538343 444 -0 0.28274334 19000 1.6035659 444 -0 0.2984513 20000 1.6690421 444 -0 0.31415927 21000 1.729399 444 -0 0.32986723 22000 1.7885301 444 -0 0.34557519 23000 1.8496239 444 -0 0.36128316 24000 1.913486 444 -0 0.37699112 25000 1.977428 444 -0 0.39269908 26000 2.04282 444 -0 0.40840704 27000 2.1089439 444 -0 0.42411501 28000 2.1759491 444 -0 0.43982297 29000 2.243813 444 -0 0.45553093 30000 2.312156 444 -0 0.4712389 31000 2.3742449 444 -0 0.48694686 32000 2.435447 444 -0 0.50265482 33000 2.495765 444 -0 0.51836279 34000 2.556865 444 -0 0.53407075 35000 2.6201291 444 -0 0.54977871 36000 2.6843281 444 -0 0.56548668 37000 2.7505059 444 -0 0.58119464 38000 2.817348 444 -0 0.5969026 39000 2.8837919 444 -0 0.61261057 40000 2.951216 444 -0 0.62831853 41000 3.012845 444 -0 0.64402649 42000 3.074688 444 -0 0.65973446 43000 3.13556 444 -0 0.67544242 44000 3.1965449 444 -0 0.69115038 45000 3.2582009 444 -0 0.70685835 46000 3.3201971 444 -0 0.72256631 47000 3.3819821 444 -0 0.73827427 48000 3.4455171 444 -0 0.75398224 49000 3.508738 444 -0 0.7696902 50000 3.5734961 444 -0 0.78539816 51000 3.6333289 444 -0 0.80110613 52000 3.694531 444 -0 0.81681409 53000 3.757041 444 -0 0.83252205 54000 3.820612 444 -0 0.84823002 55000 3.8852711 444 -0 0.86393798 56000 3.950211 444 -0 0.87964594 57000 4.015795 444 -0 0.89535391 58000 4.0818441 444 -0 0.91106187 59000 4.1476641 444 -0 0.92676983 60000 4.2141221 444 -0 0.9424778 61000 4.276612 444 -0 0.95818576 62000 4.339952 444 -0 0.97389372 63000 4.404351 444 -0 0.98960169 64000 4.4700999 444 -0 1.0053096 65000 4.5364759 444 -0 1.0210176 66000 4.605715 444 -0 1.0367256 67000 4.677629 444 -0 1.0524335 68000 4.7494669 444 -0 1.0681415 69000 4.8212609 444 -0 1.0838495 70000 4.894326 444 -0 1.0995574 71000 4.9639831 444 -0 1.1152654 72000 5.0345671 444 -0 1.1309734 73000 5.1048689 444 -0 1.1466813 74000 5.175498 444 -0 1.1623893 75000 5.2477591 444 -0 1.1780972 76000 5.3205409 444 -0 1.1938052 77000 5.394573 444 -0 1.2095132 78000 5.4685309 444 -0 1.2252211 79000 5.5431759 444 -0 1.2409291 80000 5.6212411 444 -0 1.2566371 81000 5.6890731 444 -0 1.272345 82000 5.7582159 444 -0 1.288053 83000 5.8298571 444 -0 1.303761 84000 5.9029069 444 -0 1.3194689 85000 6.0061591 888 -0 1.3351769 86000 6.1541281 888 -0 1.3508848 87000 6.3004079 888 -0 1.3665928 88000 6.4460659 888 -0 1.3823008 89000 6.591886 888 -0 1.3980087 90000 6.7376239 888 -0 1.4137167 91000 6.850734 888 -0 1.4294247 92000 6.9631939 888 -0 1.4451326 93000 7.0786369 888 -0 1.4608406 94000 7.1958089 888 -0 1.4765485 95000 7.3130219 888 -0 1.4922565 96000 7.430867 888 -0 1.5079645 97000 7.5498819 888 -0 1.5236724 98000 7.673686 888 -0 1.5393804 99000 7.7966969 888 -0 1.5550884 100000 7.921546 888 -0 1.5707963 101000 8.0396931 888 -0 1.5865043 102000 8.1583791 888 -0 1.6022123 103000 8.276613 888 -0 1.6179202 104000 8.3952639 888 -0 1.6336282 105000 8.514308 888 -0 1.6493361 106000 8.6361439 888 -0 1.6650441 107000 8.762326 888 -0 1.6807521 108000 8.8900061 888 -0 1.69646 109000 9.0179789 888 -0 1.712168 110000 9.1496761 888 -0 1.727876 111000 9.2728269 888 -0 1.7435839 112000 9.398078 888 -0 1.7592919 113000 9.519841 888 -0 1.7749998 114000 9.642343 888 -0 1.7907078 115000 9.7643859 888 -0 1.8064158 116000 9.8893411 888 -0 1.8221237 117000 10.01295 888 -0 1.8378317 118000 10.137574 888 -0 1.8535397 119000 10.263738 888 -0 1.8692476 120000 10.388673 888 -0 1.8849556 121000 10.507599 888 -0 1.9006636 122000 10.623901 888 -0 1.9163715 123000 10.740251 888 -0 1.9320795 124000 10.857467 888 -0 1.9477874 125000 10.975856 888 -0 1.9634954 126000 11.096002 888 -0 1.9792034 127000 11.217218 888 -0 1.9949113 128000 11.341925 888 -0 2.0106193 129000 11.467607 888 -0 2.0263273 130000 11.59517 888 -0 2.0420352 131000 11.71358 888 -0 2.0577432 132000 11.833024 888 -0 2.0734512 133000 11.954967 888 -0 2.0891591 134000 12.078482 888 -0 2.1048671 135000 12.202435 888 -0 2.120575 136000 12.327202 888 -0 2.136283 137000 12.453334 888 -0 2.151991 138000 12.583142 888 -0 2.1676989 139000 12.718396 888 -0 2.1834069 140000 12.854459 888 -0 2.1991149 141000 12.981024 888 -0 2.2148228 142000 13.108875 888 -0 2.2305308 143000 13.236802 888 -0 2.2462387 144000 13.36691 888 -0 2.2619467 145000 13.500126 888 -0 2.2776547 146000 13.633748 888 -0 2.2933626 147000 13.769077 888 -0 2.3090706 148000 13.90522 888 -0 2.3247786 149000 14.040417 888 -0 2.3404865 150000 14.176483 888 -0 2.3561945 151000 14.303389 888 -0 2.3719025 152000 14.432187 888 -0 2.3876104 153000 14.559857 888 -0 2.4033184 154000 14.691256 888 -0 2.4190263 155000 14.823413 888 -0 2.4347343 156000 14.956581 888 -0 2.4504423 157000 15.090666 888 -0 2.4661502 158000 15.228012 888 -0 2.4818582 159000 15.364569 888 -0 2.4975662 160000 15.501847 888 -0 2.5132741 161000 15.642772 888 -0 2.5289821 162000 15.783889 888 -0 2.54469 163000 15.926508 888 -0 2.560398 164000 16.07293 888 -0 2.576106 165000 16.221293 888 -0 2.5918139 166000 16.371738 888 -0 2.6075219 167000 16.523027 888 -0 2.6232299 168000 16.675525 888 -0 2.6389378 169000 16.830527 888 -0 2.6546458 170000 16.989955 1000 -0 2.6703538 171000 17.14772 1000 -0 2.6860617 172000 17.305565 1000 -0 2.7017697 173000 17.463517 1000 -0 2.7174776 174000 17.623862 1000 -0 2.7331856 175000 17.788165 1000 -0 2.7488936 176000 17.952028 1000 -0 2.7646015 177000 18.119269 1000 -0 2.7803095 178000 18.285714 1000 -0 2.7960175 179000 18.452439 1000 -0 2.8117254 180000 18.621119 1000 -0 2.8274334 181000 18.777982 1000 -0 2.8431414 182000 18.940248 1000 -0 2.8588493 183000 19.105385 1000 -0 2.8745573 184000 19.273934 1000 -0 2.8902652 185000 19.450922 1000 -0 2.9059732 186000 19.625563 1000 -0 2.9216812 187000 19.801329 1000 -0 2.9373891 188000 19.976869 1000 -0 2.9530971 189000 20.151134 1000 -0 2.9688051 190000 20.319214 1000 -0 2.984513 191000 20.485033 1000 -0 3.000221 192000 20.652254 1000 -0 3.0159289 193000 20.820876 1000 -0 3.0316369 194000 20.988597 1000 -0 3.0473449 195000 21.154705 1000 -0 3.0630528 196000 21.322634 1000 -0 3.0787608 197000 21.489394 1000 -0 3.0944688 198000 21.659512 1000 -0 3.1101767 199000 21.833228 1000 -0 3.1258847 200000 22.006487 1000 -0 3.1415927 Loop time of 22.0065 on 4 procs for 200000 steps with 1000 atoms Performance: 37102.953 tau/day, 9088.222 timesteps/s 99.1% CPU use with 4 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.67692 | 1.166 | 1.6704 | 44.4 | 5.30 Neigh | 0.01562 | 0.018723 | 0.0222 | 2.3 | 0.09 Comm | 3.845 | 4.4454 | 5.0282 | 26.1 | 20.20 Output | 0.0043464 | 0.0052906 | 0.0056455 | 0.8 | 0.02 Modify | 12.239 | 13.152 | 14.347 | 25.1 | 59.76 Other | | 3.22 | | | 14.63 Nlocal: 250 ave 257 max 244 min Histogram: 1 1 0 0 0 0 1 0 0 1 Nghost: 305.75 ave 372 max 242 min Histogram: 1 0 0 1 0 1 0 0 0 1 Neighs: 982.5 ave 1380 max 572 min Histogram: 2 0 0 0 0 0 0 0 0 2 Total # of neighbors = 3930 Ave neighs/atom = 3.93 Neighbor list builds = 216 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 = 8.63577 Mbytes Step CPU Atoms KinEng v_theta 200000 0 1000 0.90316284 3.1415927 201000 0.16518497 1000 0.8867387 3.1573006 202000 0.33065486 1000 0.88745316 3.1730086 203000 0.4991529 1000 0.87793424 3.1887165 204000 0.6695168 1000 0.87009551 3.2044245 205000 0.83599901 1000 0.86431259 3.2201325 206000 1.001833 1000 0.85039776 3.2358404 207000 1.166487 1000 0.82897867 3.2515484 208000 1.3331649 1000 0.82069182 3.2672564 209000 1.5031869 1000 0.82349024 3.2829643 210000 1.6751509 1000 0.81859611 3.2986723 211000 1.846776 1000 0.82053992 3.3143802 212000 2.0198569 1000 0.82832647 3.3300882 213000 2.1932938 1000 0.82676865 3.3457962 214000 2.3676898 1000 0.82425781 3.3615041 215000 2.5424879 1000 0.83127148 3.3772121 216000 2.715348 1000 0.83925992 3.3929201 217000 2.8844988 1000 0.84390181 3.408628 218000 3.0485029 1000 0.85705713 3.424336 219000 3.211767 1000 0.85325946 3.440044 220000 3.3767338 1000 0.85641557 3.4557519 221000 3.5419538 1000 0.86922287 3.4714599 222000 3.710084 1000 0.89591143 3.4871678 223000 3.880873 1000 0.90395821 3.5028758 224000 4.054816 1000 0.91161431 3.5185838 225000 4.2260928 1000 0.92716425 3.5342917 226000 4.3996999 1000 0.91664886 3.5499997 227000 4.5679309 1000 0.9128853 3.5657077 228000 4.7353978 1000 0.91063998 3.5814156 229000 4.9045198 1000 0.90616712 3.5971236 230000 5.079206 1000 0.9042797 3.6128316 231000 5.252316 1000 0.91588137 3.6285395 232000 5.4218178 1000 0.92322871 3.6442475 233000 5.592988 1000 0.92370885 3.6599554 234000 5.753634 1000 0.91531408 3.6756634 235000 5.9159088 1000 0.91016621 3.6913714 236000 6.0817358 1000 0.89501073 3.7070793 237000 6.249059 1000 0.88504426 3.7227873 238000 6.4182718 1000 0.88268268 3.7384953 239000 6.5897119 1000 0.87811868 3.7542032 240000 6.758353 1000 0.88272663 3.7699112 241000 6.928581 1000 0.87751512 3.7856191 242000 7.0978079 1000 0.87017281 3.8013271 243000 7.268832 1000 0.86587613 3.8170351 244000 7.439904 1000 0.85157794 3.832743 245000 7.6105168 1000 0.8291738 3.848451 246000 7.7830069 1000 0.82315948 3.864159 247000 7.9578128 1000 0.81231703 3.8798669 248000 8.134944 1000 0.79931415 3.8955749 249000 8.3061719 1000 0.78877578 3.9112829 250000 8.476692 1000 0.78519942 3.9269908 251000 8.6525538 1000 0.78837716 3.9426988 252000 8.8288019 1000 0.79621044 3.9584067 253000 9.006846 1000 0.78744385 3.9741147 254000 9.1839809 1000 0.78810047 3.9898227 255000 9.3600328 1000 0.79053484 4.0055306 256000 9.538172 1000 0.79976932 4.0212386 257000 9.7188668 1000 0.81724577 4.0369466 258000 9.9032769 1000 0.81135963 4.0526545 259000 10.084928 1000 0.82017101 4.0683625 260000 10.266693 1000 0.82352898 4.0840704 261000 10.449515 1000 0.81662689 4.0997784 262000 10.630166 1000 0.82707216 4.1154864 263000 10.812056 1000 0.82001278 4.1311943 264000 10.991668 1000 0.81136264 4.1469023 265000 11.172162 1000 0.80507755 4.1626103 266000 11.353101 1000 0.80247583 4.1783182 267000 11.533476 1000 0.78870449 4.1940262 268000 11.716022 1000 0.77775428 4.2097342 269000 11.900351 1000 0.78170639 4.2254421 270000 12.083609 1000 0.78023258 4.2411501 271000 12.266298 1000 0.76257507 4.256858 272000 12.449454 1000 0.75871195 4.272566 273000 12.633748 1000 0.75909277 4.288274 274000 12.820916 1000 0.76329234 4.3039819 275000 13.004197 1000 0.76188557 4.3196899 276000 13.188507 1000 0.75974847 4.3353979 277000 13.372202 1000 0.75392834 4.3511058 278000 13.557712 1000 0.74837333 4.3668138 279000 13.747933 1000 0.74268307 4.3825218 280000 13.934871 1000 0.73840427 4.3982297 281000 14.11717 1000 0.73817851 4.4139377 282000 14.30208 1000 0.73666069 4.4296456 283000 14.485039 1000 0.74064713 4.4453536 284000 14.671087 1000 0.73916222 4.4610616 285000 14.863267 1000 0.73225442 4.4767695 286000 15.050005 1000 0.7312283 4.4924775 287000 15.234556 1000 0.72947519 4.5081855 288000 15.422593 1000 0.72469992 4.5238934 289000 15.609153 1000 0.70843645 4.5396014 290000 15.797906 1000 0.69731415 4.5553093 291000 15.983677 1000 0.69099822 4.5710173 292000 16.168935 1000 0.68855366 4.5867253 293000 16.355853 1000 0.69826256 4.6024332 294000 16.544831 1000 0.70211589 4.6181412 295000 16.733875 1000 0.7055847 4.6338492 296000 16.918698 1000 0.69692413 4.6495571 297000 17.100869 1000 0.68027227 4.6652651 298000 17.280404 1000 0.67254493 4.6809731 299000 17.46406 1000 0.67767946 4.696681 300000 17.652748 1000 0.68480172 4.712389 301000 17.84199 1000 0.67864643 4.7280969 302000 18.025759 1000 0.67656342 4.7438049 303000 18.208747 1000 0.67719641 4.7595129 304000 18.391225 1000 0.68049491 4.7752208 305000 18.576276 1000 0.68230722 4.7909288 306000 18.764125 1000 0.67985 4.8066368 307000 18.956063 1000 0.67790944 4.8223447 308000 19.147159 1000 0.6836647 4.8380527 309000 19.339173 1000 0.69705355 4.8537606 310000 19.530591 1000 0.69858847 4.8694686 311000 19.720214 1000 0.69448554 4.8851766 312000 19.907717 1000 0.68878539 4.9008845 313000 20.088793 1000 0.68810484 4.9165925 314000 20.268118 1000 0.68483484 4.9323005 315000 20.445564 1000 0.67732034 4.9480084 316000 20.627415 1000 0.67943319 4.9637164 317000 20.807826 1000 0.67326868 4.9794244 318000 20.983587 1000 0.67762092 4.9951323 319000 21.156655 1000 0.68914624 5.0108403 320000 21.331391 1000 0.69872806 5.0265482 321000 21.506313 1000 0.71510434 5.0422562 322000 21.679505 1000 0.71452122 5.0579642 323000 21.85396 1000 0.71765429 5.0736721 324000 22.02904 1000 0.72748838 5.0893801 325000 22.205191 1000 0.72974854 5.1050881 326000 22.38063 1000 0.73324928 5.120796 327000 22.555817 1000 0.72479525 5.136504 328000 22.729859 1000 0.71942855 5.152212 329000 22.903234 1000 0.71890587 5.1679199 330000 23.078575 1000 0.73495891 5.1836279 331000 23.252865 1000 0.74306733 5.1993358 332000 23.427175 1000 0.75274051 5.2150438 333000 23.604881 1000 0.75981346 5.2307518 334000 23.789045 1000 0.75410165 5.2464597 335000 23.971105 1000 0.74802374 5.2621677 336000 24.150954 1000 0.73111266 5.2778757 337000 24.331991 1000 0.72226021 5.2935836 338000 24.515157 1000 0.70866271 5.3092916 339000 24.69639 1000 0.70253496 5.3249995 340000 24.879524 1000 0.69381505 5.3407075 341000 25.061928 1000 0.68285569 5.3564155 342000 25.2437 1000 0.67262303 5.3721234 343000 25.423809 1000 0.67160137 5.3878314 344000 25.605531 1000 0.67658439 5.4035394 345000 25.78848 1000 0.67113748 5.4192473 346000 25.969866 1000 0.67506296 5.4349553 347000 26.152485 1000 0.67686518 5.4506633 348000 26.335445 1000 0.68878941 5.4663712 349000 26.522271 1000 0.70728493 5.4820792 350000 26.709942 1000 0.70870657 5.4977871 351000 26.889998 1000 0.71541489 5.5134951 352000 27.069872 1000 0.71827633 5.5292031 353000 27.249259 1000 0.7099127 5.544911 354000 27.428386 1000 0.70507946 5.560619 355000 27.607797 1000 0.70709703 5.576327 356000 27.788887 1000 0.70637714 5.5920349 357000 27.975344 1000 0.7088694 5.6077429 358000 28.164236 1000 0.70907948 5.6234508 359000 28.352999 1000 0.71504714 5.6391588 360000 28.539172 1000 0.71417205 5.6548668 361000 28.722691 1000 0.70716852 5.6705747 362000 28.906856 1000 0.70193967 5.6862827 363000 29.087598 1000 0.69786793 5.7019907 364000 29.268141 1000 0.68714789 5.7176986 365000 29.450765 1000 0.68170443 5.7334066 366000 29.633131 1000 0.67832571 5.7491146 367000 29.816219 1000 0.67809457 5.7648225 368000 29.999479 1000 0.66886004 5.7805305 369000 30.182675 1000 0.67233336 5.7962384 370000 30.36698 1000 0.67433369 5.8119464 371000 30.550787 1000 0.67478226 5.8276544 372000 30.736018 1000 0.67882814 5.8433623 373000 30.922576 1000 0.68494254 5.8590703 374000 31.107558 1000 0.69046765 5.8747783 375000 31.291329 1000 0.69398953 5.8904862 376000 31.474582 1000 0.68692367 5.9061942 377000 31.656979 1000 0.674184 5.9219022 378000 31.83851 1000 0.65899449 5.9376101 379000 32.019869 1000 0.65198402 5.9533181 380000 32.200375 1000 0.64366122 5.969026 381000 32.381651 1000 0.64443345 5.984734 382000 32.561897 1000 0.64655912 6.000442 383000 32.743947 1000 0.64894161 6.0161499 384000 32.927231 1000 0.65259561 6.0318579 385000 33.11882 1000 0.65230446 6.0475659 386000 33.311072 1000 0.64177598 6.0632738 387000 33.50435 1000 0.63900349 6.0789818 388000 33.695734 1000 0.64611067 6.0946897 389000 33.885915 1000 0.64943993 6.1103977 390000 34.076093 1000 0.66303716 6.1261057 391000 34.264909 1000 0.68916583 6.1418136 392000 34.45411 1000 0.71501556 6.1575216 393000 34.644116 1000 0.73685375 6.1732296 394000 34.834608 1000 0.74461041 6.1889375 395000 35.025693 1000 0.75251204 6.2046455 396000 35.217372 1000 0.75493054 6.2203535 397000 35.407008 1000 0.77028775 6.2360614 398000 35.594868 1000 0.7686439 6.2517694 399000 35.778411 1000 0.75167376 6.2674773 400000 35.962646 1000 0.73505917 6.2831853 Loop time of 35.9627 on 4 procs for 200000 steps with 1000 atoms Performance: 22704.278 tau/day, 5561.323 timesteps/s 99.0% CPU use with 4 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 2.0549 | 3.4094 | 4.9773 | 72.1 | 9.48 Neigh | 0.022087 | 0.026923 | 0.032716 | 2.9 | 0.07 Comm | 7.3555 | 9.2143 | 10.854 | 53.0 | 25.62 Output | 0.0046289 | 0.0058927 | 0.0071292 | 1.4 | 0.02 Modify | 17.504 | 19.601 | 22.342 | 44.9 | 54.50 Other | | 3.705 | | | 10.30 Nlocal: 250 ave 269 max 225 min Histogram: 1 0 0 0 0 1 0 1 0 1 Nghost: 408.5 ave 500 max 320 min Histogram: 2 0 0 0 0 0 0 0 0 2 Neighs: 1262.25 ave 1665 max 880 min Histogram: 1 0 1 0 0 0 0 1 0 1 Total # of neighbors = 5049 Ave neighs/atom = 5.049 Neighbor list builds = 166 Dangerous builds = 0 Total wall time: 0:00:57