LAMMPS (27 Nov 2018) OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87) using 1 OpenMP thread(s) per MPI task # pouring spheres into container box units lj atom_style sphere boundary f f f dimension 3 comm_modify vel yes region box block -10 10 -10 10 -10 10 units box create_box 2 box Created orthogonal box = (-10 -10 -10) to (10 10 10) 1 by 1 by 1 MPI processor grid pair_style hybrid gran/hooke 4000.0 NULL 100.0 NULL 0.5 1 pair_coeff * * gran/hooke region container block -6 6 -6 6 -6 6 units box fix container all wall/gran/region hooke/history 4000.0 NULL 100.0 NULL 0.5 1 region container neighbor 0.3 bin neigh_modify delay 0 every 1 check yes fix 2 all nve/sphere fix 3 all gravity 1.0 vector 0 0 -1 region slab block -2 2 -2 2 -2 2 units box fix ins all pour 100 2 4767548 vol 0.4 10 diam one 1.0 region slab ignore Particle insertion: 48 every 566 steps, 100 by step 1133 timestep 0.005 compute 1 all temp compute_modify 1 dynamic/dof yes compute 2 all temp/sphere compute_modify 2 dynamic/dof yes thermo 100 thermo_style custom step atoms temp c_1 c_2 press thermo_modify lost ignore compute_modify thermo_temp dynamic/dof yes #dump 2 all image 100 image.*.jpg type type # zoom 1.4 adiam 1.0 box no 0.0 axes yes 0.9 0.03 #dump_modify 2 pad 5 run 5000 Neighbor list info ... update every 1 steps, delay 0 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 1.3 ghost atom cutoff = 1.3 binsize = 0.65, bins = 31 31 31 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair gran/hooke, perpetual attributes: half, newton on, size pair build: half/size/bin/newton stencil: half/bin/3d/newton bin: standard Per MPI rank memory allocation (min/avg/max) = 0.5855 | 0.5855 | 0.5855 Mbytes Step Atoms Temp c_1 c_2 Press 0 0 0 0 0 0 100 21 0.54270729 0.54270729 0.26473526 0.0013567682 200 21 0.87606961 0.87606961 0.42735103 0.002190174 300 21 1.1428374 1.1428374 0.55748167 0.0028570936 400 21 1.3543103 1.3543103 0.66829516 0.0033857758 500 21 1.0677786 1.0677786 0.53582407 0.0045048164 600 56 0.6744286 0.6744286 0.3502938 0.0047464584 700 56 0.75569283 0.75569283 0.39779462 0.0051953882 800 56 0.61597505 0.61597505 0.32943642 0.0086022783 900 56 0.65260802 0.65260802 0.34474044 0.0059298996 1000 56 0.51624952 0.51624952 0.28326898 0.0067827337 1100 56 0.46050076 0.46050076 0.25656319 0.0061891094 1200 81 0.39112346 0.39112346 0.21690172 0.0086559316 1300 81 0.33302617 0.33302617 0.19109398 0.0033381104 1400 81 0.3933533 0.3933533 0.21221692 0.004135078 1500 81 0.35495297 0.35495297 0.19925984 0.0037374946 1600 81 0.34150606 0.34150606 0.19025811 0.0053492835 1700 100 0.2561647 0.2561647 0.14186278 0.0090767057 1800 100 0.21124278 0.21124278 0.12154878 0.0028545759 1900 100 0.21793955 0.21793955 0.12173867 0.0029049155 2000 100 0.25530858 0.25530858 0.13892272 0.0035528009 2100 100 0.24671808 0.24671808 0.13687783 0.0076812435 2200 100 0.22465216 0.22465216 0.12513603 0.0042528715 2300 100 0.19362854 0.19362854 0.10914305 0.0061173739 2400 100 0.061627608 0.061627608 0.045907717 0.0010422721 2500 100 0.052700901 0.052700901 0.038883014 0.0019341647 2600 100 0.037332018 0.037332018 0.028357146 0.0028364476 2700 100 0.033526602 0.033526602 0.024609055 0.00044524562 2800 100 0.0194148 0.0194148 0.014491377 0.00056526591 2900 100 0.012346108 0.012346108 0.009857017 0.00081855699 3000 100 0.0107344 0.0107344 0.008669364 0.00040371396 3100 100 0.0092678291 0.0092678291 0.0073003108 0.00033287397 3200 100 0.0085847001 0.0085847001 0.0064045591 0.00023253547 3300 100 0.0049475182 0.0049475182 0.0041173627 0.00019876269 3400 100 0.0030471097 0.0030471097 0.0026940466 0.00013462604 3500 100 0.0031188371 0.0031188371 0.002612223 0.00026148578 3600 100 0.0017616584 0.0017616584 0.0017464137 0.00019049724 3700 100 0.0015475923 0.0015475923 0.0015560356 0.00025062814 3800 100 0.0012547887 0.0012547887 0.0012622678 0.00014132236 3900 100 0.0010047282 0.0010047282 0.0010379262 9.7665594e-05 4000 100 0.00080895307 0.00080895307 0.00088263027 8.1278842e-05 4100 100 0.00079078739 0.00079078739 0.00085810727 8.1271694e-05 4200 100 0.00075192318 0.00075192318 0.00083085046 8.9352453e-05 4300 100 0.00063546457 0.00063546457 0.00073222177 8.9264255e-05 4400 100 0.00062398391 0.00062398391 0.00071312118 8.4200615e-05 4500 100 0.00056464934 0.00056464934 0.00066087801 9.2097641e-05 4600 100 0.00066951894 0.00066951894 0.00071633313 8.2457941e-05 4700 100 0.001128837 0.001128837 0.00095293877 0.00011716361 4800 100 0.00049580391 0.00049580391 0.00056710488 0.00010718794 4900 100 0.00054374371 0.00054374371 0.00058671699 5.6580257e-05 5000 100 0.00043016232 0.00043016232 0.00050264172 2.8640786e-05 Loop time of 0.0807264 on 1 procs for 5000 steps with 100 atoms Performance: 26757050.955 tau/day, 61937.618 timesteps/s 97.4% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.0089066 | 0.0089066 | 0.0089066 | 0.0 | 11.03 Neigh | 0.017107 | 0.017107 | 0.017107 | 0.0 | 21.19 Comm | 0.00091505 | 0.00091505 | 0.00091505 | 0.0 | 1.13 Output | 0.00051451 | 0.00051451 | 0.00051451 | 0.0 | 0.64 Modify | 0.047671 | 0.047671 | 0.047671 | 0.0 | 59.05 Other | | 0.005612 | | | 6.95 Nlocal: 100 ave 100 max 100 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 158 ave 158 max 158 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 158 Ave neighs/atom = 1.58 Neighbor list builds = 310 Dangerous builds = 0 region container delete variable theta equal (step-5000)*(4.0*PI/5000) region container block -6 6 -6 6 -6 6 units box rotate v_theta 0 0 0 0 0 1 run 5000 Per MPI rank memory allocation (min/avg/max) = 5.836 | 5.836 | 5.836 Mbytes Step Atoms Temp c_1 c_2 Press 5000 100 0.00043016232 0.00043016232 0.00050264172 2.8677624e-05 5100 100 0.56489668 0.56489668 0.31137762 0.011848041 5200 100 0.66068288 0.66068288 0.35915482 0.010199755 5300 100 0.74068022 0.74068022 0.39643217 0.010806409 5400 100 0.80913562 0.80913562 0.42748505 0.01190892 5500 100 0.89409135 0.89409135 0.46135116 0.013093474 5600 100 0.97585093 0.97585093 0.50021126 0.013588886 5700 100 1.0151954 1.0151954 0.5174624 0.01601347 5800 100 1.0452728 1.0452728 0.53122496 0.01879329 5900 100 1.0881689 1.0881689 0.55152229 0.017120714 6000 100 1.1133186 1.1133186 0.5638022 0.017284617 6100 100 1.1532099 1.1532099 0.58310076 0.017031384 6200 100 1.1798849 1.1798849 0.5959516 0.017971323 6300 100 1.19387 1.19387 0.60173877 0.020140984 6400 100 1.2126705 1.2126705 0.61086899 0.018426638 6500 100 1.2137646 1.2137646 0.61284198 0.019127381 6600 100 1.2339012 1.2339012 0.62199324 0.019378799 6700 100 1.2439326 1.2439326 0.62488425 0.021049447 6800 100 1.2489549 1.2489549 0.6278167 0.019552409 6900 100 1.2733303 1.2733303 0.63898149 0.020237284 7000 100 1.2835029 1.2835029 0.6440245 0.020798586 7100 100 1.2866111 1.2866111 0.64522896 0.020355019 7200 100 1.2886381 1.2886381 0.6467497 0.02062322 7300 100 1.2885085 1.2885085 0.64617988 0.020350755 7400 100 1.2912349 1.2912349 0.64691898 0.020197503 7500 100 1.2963062 1.2963062 0.64926335 0.020349791 7600 100 1.3016488 1.3016488 0.65150178 0.021001457 7700 100 1.3009311 1.3009311 0.65106234 0.021546471 7800 100 1.3016987 1.3016987 0.65143099 0.020994967 7900 100 1.3028811 1.3028811 0.65164558 0.022200425 8000 100 1.3087855 1.3087855 0.65439023 0.021310808 8100 100 1.3102001 1.3102001 0.65514941 0.021177764 8200 100 1.3133931 1.3133931 0.65681861 0.021591267 8300 100 1.3148898 1.3148898 0.65775353 0.021335384 8400 100 1.3160355 1.3160355 0.65845913 0.021238095 8500 100 1.3171797 1.3171797 0.65934185 0.021172983 8600 100 1.3176785 1.3176785 0.65964311 0.020747457 8700 100 1.3180425 1.3180425 0.66019624 0.021275913 8800 100 1.3287501 1.3287501 0.66444242 0.021832635 8900 100 1.3249847 1.3249847 0.6625848 0.021337451 9000 100 1.326216 1.326216 0.66297827 0.021470663 9100 100 1.3261662 1.3261662 0.66303852 0.021423573 9200 100 1.3312132 1.3312132 0.6653609 0.021385943 9300 100 1.3300976 1.3300976 0.66504574 0.021489888 9400 100 1.3377335 1.3377335 0.66820989 0.021565001 9500 100 1.3421956 1.3421956 0.67027168 0.022402346 9600 100 1.3464217 1.3464217 0.67228206 0.021991922 9700 100 1.3470623 1.3470623 0.67258349 0.022035729 9800 100 1.3446725 1.3446725 0.67135725 0.022295251 9900 100 1.343146 1.343146 0.67066672 0.022049041 10000 100 1.3435397 1.3435397 0.67093067 0.022451365 Loop time of 0.247549 on 1 procs for 5000 steps with 100 atoms Performance: 8725560.044 tau/day, 20198.056 timesteps/s 99.4% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.031783 | 0.031783 | 0.031783 | 0.0 | 12.84 Neigh | 0.038383 | 0.038383 | 0.038383 | 0.0 | 15.51 Comm | 0.0012343 | 0.0012343 | 0.0012343 | 0.0 | 0.50 Output | 0.00056028 | 0.00056028 | 0.00056028 | 0.0 | 0.23 Modify | 0.1687 | 0.1687 | 0.1687 | 0.0 | 68.15 Other | | 0.00689 | | | 2.78 Nlocal: 100 ave 100 max 100 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 199 ave 199 max 199 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 199 Ave neighs/atom = 1.99 Neighbor list builds = 621 Dangerous builds = 0 region container delete region container block -6 6 -6 6 -6 6 units box run 5000 Per MPI rank memory allocation (min/avg/max) = 5.836 | 5.836 | 5.836 Mbytes Step Atoms Temp c_1 c_2 Press 10000 100 1.3435397 1.3435397 0.67093067 0.022411116 10100 100 0.31352763 0.31352763 0.18877908 0.01321582 10200 100 0.13367611 0.13367611 0.090010637 0.0074171016 10300 100 0.068195658 0.068195658 0.052632714 0.0019696287 10400 100 0.053814936 0.053814936 0.043037586 0.0017121584 10500 100 0.04032072 0.04032072 0.032944572 0.0011809154 10600 100 0.029178161 0.029178161 0.023951873 0.0007804529 10700 100 0.025978206 0.025978206 0.021045025 0.00099531465 10800 100 0.023205036 0.023205036 0.01898502 0.00040036401 10900 100 0.019994638 0.019994638 0.016451227 0.00027385559 11000 100 0.017838131 0.017838131 0.014730762 0.00040399762 11100 100 0.014863196 0.014863196 0.012314308 0.00019097464 11200 100 0.012131256 0.012131256 0.010102122 0.00018514926 11300 100 0.010881385 0.010881385 0.0090013541 0.00016579157 11400 100 0.0076519814 0.0076519814 0.0064604568 0.00035399997 11500 100 0.0067507315 0.0067507315 0.0057378868 0.00049116726 11600 100 0.0053146649 0.0053146649 0.0047005938 0.00019625233 11700 100 0.0044162463 0.0044162463 0.0039534657 0.00012548039 11800 100 0.0037025387 0.0037025387 0.0033604103 6.2969827e-05 11900 100 0.0032632211 0.0032632211 0.0030406641 8.1600622e-05 12000 100 0.0028944057 0.0028944057 0.0026875858 6.6435833e-05 12100 100 0.0027644728 0.0027644728 0.0025859762 5.5899271e-05 12200 100 0.002480367 0.002480367 0.0023685117 6.0201418e-05 12300 100 0.0024136475 0.0024136475 0.0023107986 4.4386874e-05 12400 100 0.0021911567 0.0021911567 0.0021413262 5.0213175e-05 12500 100 0.0019775905 0.0019775905 0.0019927698 0.00035250097 12600 100 0.0017410363 0.0017410363 0.001830428 5.7885177e-05 12700 100 0.0015749276 0.0015749276 0.0016816771 4.5530192e-05 12800 100 0.0015187705 0.0015187705 0.0016218625 4.0589413e-05 12900 100 0.0014778376 0.0014778376 0.001580232 4.0085455e-05 13000 100 0.0014693491 0.0014693491 0.0015681809 4.0407656e-05 13100 100 0.0014434495 0.0014434495 0.0015356278 5.7849212e-05 13200 100 0.0014121959 0.0014121959 0.0015058758 3.2720737e-05 13300 100 0.0012876041 0.0012876041 0.0013838998 3.7725702e-05 13400 100 0.0012304951 0.0012304951 0.0013373457 3.6784546e-05 13500 100 0.0011954303 0.0011954303 0.0012877627 3.6584963e-05 13600 100 0.0011028947 0.0011028947 0.0011955404 2.3767582e-05 13700 100 0.0010611762 0.0010611762 0.0011504675 3.485879e-05 13800 100 0.0010080835 0.0010080835 0.0010997919 3.7905404e-05 13900 100 0.00096495712 0.00096495712 0.0010530767 3.5273885e-05 14000 100 0.00094945029 0.00094945029 0.0010409175 3.3718395e-05 14100 100 0.00092386757 0.00092386757 0.0010217415 3.3313256e-05 14200 100 0.00088928389 0.00088928389 0.000983023 3.290941e-05 14300 100 0.00082696485 0.00082696485 0.00092690771 3.1651431e-05 14400 100 0.00081086188 0.00081086188 0.00091681096 3.1845632e-05 14500 100 0.00077732305 0.00077732305 0.00087592983 4.8087361e-05 14600 100 0.00073386005 0.00073386005 0.00082546873 3.0892065e-05 14700 100 0.00068701098 0.00068701098 0.00075953521 0.00010208859 14800 100 0.00065860451 0.00065860451 0.00073738846 2.9272912e-05 14900 100 0.00064706564 0.00064706564 0.00072748391 2.9817955e-05 15000 100 0.00064227996 0.00064227996 0.00070964586 3.2547768e-05 Loop time of 0.0840213 on 1 procs for 5000 steps with 100 atoms Performance: 25707757.817 tau/day, 59508.699 timesteps/s 98.2% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.01004 | 0.01004 | 0.01004 | 0.0 | 11.95 Neigh | 0.0057366 | 0.0057366 | 0.0057366 | 0.0 | 6.83 Comm | 0.00086808 | 0.00086808 | 0.00086808 | 0.0 | 1.03 Output | 0.00049472 | 0.00049472 | 0.00049472 | 0.0 | 0.59 Modify | 0.060893 | 0.060893 | 0.060893 | 0.0 | 72.47 Other | | 0.005989 | | | 7.13 Nlocal: 100 ave 100 max 100 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 151 ave 151 max 151 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 151 Ave neighs/atom = 1.51 Neighbor list builds = 92 Dangerous builds = 0 region container delete variable theta equal (step-15000)*(4.0*PI/5000) region container block -6 6 -6 6 -6 6 units box rotate v_theta 0 0 0 1 1 1 run 5000 Per MPI rank memory allocation (min/avg/max) = 5.836 | 5.836 | 5.836 Mbytes Step Atoms Temp c_1 c_2 Press 15000 100 0.00064227996 0.00064227996 0.00070964586 3.2291286e-05 15100 100 0.81230775 0.81230775 0.53266834 0.010948517 15200 100 0.87957637 0.87957637 0.57559572 0.012401402 15300 100 1.0262431 1.0262431 0.66535656 0.015239294 15400 100 1.2863564 1.2863564 0.82026439 0.020115365 15500 100 1.4721549 1.4721549 0.92138954 0.022400442 15600 100 1.7140429 1.7140429 1.0103822 0.02558084 15700 100 1.8963287 1.8963287 1.0916756 0.032032318 15800 100 2.0741177 2.0741177 1.1706233 0.034251942 15900 100 2.1434733 2.1434733 1.2054242 0.030132271 16000 100 2.1409892 2.1409892 1.2019761 0.030914205 16100 100 2.2496058 2.2496058 1.2476438 0.030939743 16200 100 2.233356 2.233356 1.2499888 0.030097445 16300 100 2.2673491 2.2673491 1.272321 0.030968524 16400 100 2.3735648 2.3735648 1.3126117 0.034532377 16500 100 2.4510087 2.4510087 1.3588349 0.036685351 16600 100 2.497406 2.497406 1.3811443 0.032019982 16700 100 2.6800518 2.6800518 1.4661941 0.037455527 16800 100 2.8673997 2.8673997 1.5558303 0.03606532 16900 100 3.1229488 3.1229488 1.6918439 0.039753213 17000 100 3.117815 3.117815 1.6996841 0.046210837 17100 100 3.3336225 3.3336225 1.7834517 0.047865361 17200 100 3.1773164 3.1773164 1.7113961 0.047778334 17300 100 3.4336759 3.4336759 1.8343073 0.049673718 17400 100 3.3142326 3.3142326 1.7796613 0.055329946 17500 100 3.3205493 3.3205493 1.7853946 0.043558145 17600 100 3.2764553 3.2764553 1.7640702 0.051463316 17700 100 3.1909643 3.1909643 1.7407995 0.043248948 17800 100 3.1958324 3.1958324 1.735056 0.050123145 17900 100 3.2431806 3.2431806 1.7380638 0.050838878 18000 100 3.2967417 3.2967417 1.7705821 0.042176084 18100 100 3.4270672 3.4270672 1.8459819 0.043589925 18200 100 3.3638494 3.3638494 1.8159436 0.048949648 18300 100 3.3192279 3.3192279 1.8122198 0.043629595 18400 100 3.2627211 3.2627211 1.796316 0.045504529 18500 100 3.5669172 3.5669172 1.9257062 0.048460393 18600 100 3.5546411 3.5546411 1.9154318 0.046890968 18700 100 3.7288485 3.7288485 2.011106 0.046906531 18800 100 3.6800347 3.6800347 1.9936406 0.049985172 18900 100 3.7151898 3.7151898 2.007659 0.050394561 19000 100 3.9693368 3.9693368 2.1311549 0.053710204 19100 100 3.6907732 3.6907732 1.9939387 0.05480136 19200 100 3.8808777 3.8808777 2.0790125 0.055093552 19300 100 3.8422142 3.8422142 2.0756951 0.058090774 19400 100 3.7836875 3.7836875 2.0399805 0.06965907 19500 100 4.0480195 4.0480195 2.169214 0.053420651 19600 100 3.965917 3.965917 2.1245227 0.059077084 19700 100 3.8980869 3.8980869 2.0956306 0.050857062 19800 100 4.008079 4.008079 2.1501421 0.054938689 19900 100 3.7244506 3.7244506 2.0080877 0.055481507 20000 100 3.8146094 3.8146094 2.0541416 0.053187111 Loop time of 0.210396 on 1 procs for 5000 steps with 100 atoms Performance: 10266363.999 tau/day, 23764.731 timesteps/s 98.3% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.013991 | 0.013991 | 0.013991 | 0.0 | 6.65 Neigh | 0.056947 | 0.056947 | 0.056947 | 0.0 | 27.07 Comm | 0.0013928 | 0.0013928 | 0.0013928 | 0.0 | 0.66 Output | 0.00054646 | 0.00054646 | 0.00054646 | 0.0 | 0.26 Modify | 0.13027 | 0.13027 | 0.13027 | 0.0 | 61.92 Other | | 0.007249 | | | 3.45 Nlocal: 100 ave 100 max 100 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 144 ave 144 max 144 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 144 Ave neighs/atom = 1.44 Neighbor list builds = 910 Dangerous builds = 0 region container delete region container block -6 6 -6 6 -6 6 units box run 5000 Per MPI rank memory allocation (min/avg/max) = 5.836 | 5.836 | 5.836 Mbytes Step Atoms Temp c_1 c_2 Press 20000 100 3.8146094 3.8146094 2.0541416 0.052956687 20100 100 1.3848453 1.3848453 0.82244153 0.017544632 20200 100 0.89469578 0.89469578 0.55929611 0.0111604 20300 100 0.83962013 0.83962013 0.52665461 0.010396174 20400 100 0.77264252 0.77264252 0.48961142 0.0095493901 20500 100 0.78613208 0.78613208 0.48683715 0.012166835 20600 100 0.88411633 0.88411633 0.52854942 0.011725323 20700 100 0.89833225 0.89833225 0.52549693 0.012193413 20800 100 0.90216089 0.90216089 0.51167019 0.014289685 20900 100 0.98665057 0.98665057 0.5468893 0.013794318 21000 100 0.7576342 0.7576342 0.42758791 0.011720156 21100 100 0.3821563 0.3821563 0.23426423 0.005324458 21200 100 0.17486973 0.17486973 0.12876582 0.0029726352 21300 100 0.17940562 0.17940562 0.12400155 0.0026179917 21400 100 0.15526876 0.15526876 0.10526802 0.002341177 21500 100 0.079493361 0.079493361 0.062289324 0.0017379534 21600 100 0.057299519 0.057299519 0.047939171 0.0020095941 21700 100 0.056900097 0.056900097 0.045799124 0.0017782068 21800 100 0.039847861 0.039847861 0.035138066 0.0018265057 21900 100 0.03919167 0.03919167 0.031815619 0.0012160098 22000 100 0.025499317 0.025499317 0.022126202 0.0010056809 22100 100 0.018956113 0.018956113 0.017843095 0.0016109368 22200 100 0.017337018 0.017337018 0.016063068 0.00042537508 22300 100 0.014785686 0.014785686 0.013007571 0.00049466367 22400 100 0.011754087 0.011754087 0.010399793 0.00042349151 22500 100 0.010362474 0.010362474 0.009077435 0.00025198478 22600 100 0.0089484896 0.0089484896 0.0079474121 0.00035239475 22700 100 0.0089936432 0.0089936432 0.0077908763 0.00018548371 22800 100 0.0068663718 0.0068663718 0.0064061667 0.00025641972 22900 100 0.0050272392 0.0050272392 0.0046676214 0.00040466013 23000 100 0.0049250142 0.0049250142 0.0044849467 0.00035704909 23100 100 0.0050508148 0.0050508148 0.0043117775 0.00030051828 23200 100 0.0037293467 0.0037293467 0.0033592517 0.00038108923 23300 100 0.0032823722 0.0032823722 0.0030511575 0.00040421775 23400 100 0.0026913866 0.0026913866 0.0025493429 9.2813733e-05 23500 100 0.0025590632 0.0025590632 0.0024466447 8.4695125e-05 23600 100 0.0025270441 0.0025270441 0.0024236554 8.4237376e-05 23700 100 0.0026406527 0.0026406527 0.0024501963 0.00015009901 23800 100 0.0024633391 0.0024633391 0.0023470594 3.8990761e-05 23900 100 0.0029505606 0.0029505606 0.0025122613 4.9810757e-05 24000 100 0.0019535519 0.0019535519 0.0019112421 3.5804751e-05 24100 100 0.0017505151 0.0017505151 0.001726233 2.380737e-05 24200 100 0.0015864857 0.0015864857 0.0015479949 1.963276e-05 24300 100 0.0014535898 0.0014535898 0.0014221262 3.6607862e-05 24400 100 0.0013744934 0.0013744934 0.0013523293 1.4522467e-05 24500 100 0.0013286378 0.0013286378 0.0013097089 3.2389792e-05 24600 100 0.0012093624 0.0012093624 0.0011617482 4.848694e-05 24700 100 0.0011817062 0.0011817062 0.0011409092 3.8898899e-05 24800 100 0.0011142524 0.0011142524 0.0010877723 1.4560662e-05 24900 100 0.0010941199 0.0010941199 0.0010614415 7.0209336e-05 25000 100 0.0010773559 0.0010773559 0.0010389783 1.3332279e-05 Loop time of 0.0912137 on 1 procs for 5000 steps with 100 atoms Performance: 23680652.416 tau/day, 54816.325 timesteps/s 99.3% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.010053 | 0.010053 | 0.010053 | 0.0 | 11.02 Neigh | 0.017597 | 0.017597 | 0.017597 | 0.0 | 19.29 Comm | 0.00092912 | 0.00092912 | 0.00092912 | 0.0 | 1.02 Output | 0.00049806 | 0.00049806 | 0.00049806 | 0.0 | 0.55 Modify | 0.056085 | 0.056085 | 0.056085 | 0.0 | 61.49 Other | | 0.006052 | | | 6.63 Nlocal: 100 ave 100 max 100 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 143 ave 143 max 143 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 143 Ave neighs/atom = 1.43 Neighbor list builds = 289 Dangerous builds = 0 Total wall time: 0:00:00