LAMMPS (8 Feb 2023) OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) 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 2 by 2 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 Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule 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 bin: standard Per MPI rank memory allocation (min/avg/max) = 0.4843 | 0.4843 | 0.4843 Mbytes Step Atoms Temp c_1 c_2 Press 0 0 0 0 0 0 WARNING: Fewer insertions than requested (src/GRANULAR/fix_pour.cpp:681) 100 30 0.803783 0.803783 0.39507978 0.0029137134 200 30 1.1967995 1.1967995 0.5882574 0.0043383984 300 30 1.2814686 1.2814686 0.62987441 0.0046453238 400 30 0.82331082 0.82331082 0.41173176 0.0029845017 500 30 0.7708462 0.7708462 0.38777784 0.0043831147 WARNING: Fewer insertions than requested (src/GRANULAR/fix_pour.cpp:681) 600 64 0.51564897 0.51564897 0.26631577 0.0040059368 700 64 0.57239348 0.57239348 0.29566901 0.0045075987 800 64 0.61837087 0.61837087 0.32195387 0.0048123564 900 64 0.53061888 0.53061888 0.28564763 0.0055906552 1000 64 0.496299 0.496299 0.26801572 0.0061169128 1100 64 0.46068308 0.46068308 0.24699057 0.0055717699 WARNING: Fewer insertions than requested (src/GRANULAR/fix_pour.cpp:681) 1200 99 0.39206225 0.39206225 0.21356546 0.0066294211 1300 99 0.38624966 0.38624966 0.21345854 0.0049051051 1400 99 0.35615284 0.35615284 0.19785725 0.0046170772 1500 99 0.31486693 0.31486693 0.17429055 0.0064903432 1600 99 0.26369001 0.26369001 0.15095266 0.0045226847 1700 100 0.1925923 0.1925923 0.11308104 0.007362313 1800 100 0.13724978 0.13724978 0.083276845 0.0058136373 1900 100 0.077212636 0.077212636 0.053159386 0.0016509598 2000 100 0.065294031 0.065294031 0.04372752 0.0020346467 2100 100 0.057431398 0.057431398 0.037977068 0.0012681098 2200 100 0.059093046 0.059093046 0.037435194 0.00096610935 2300 100 0.034223376 0.034223376 0.025491303 0.00069886041 2400 100 0.020558283 0.020558283 0.016163008 0.0017260646 2500 100 0.015339698 0.015339698 0.012329233 0.00041312351 2600 100 0.012891357 0.012891357 0.0097660566 0.00030356702 2700 100 0.0092631621 0.0092631621 0.0073576327 0.00077729311 2800 100 0.0073866488 0.0073866488 0.0060126175 0.00018677664 2900 100 0.0081122362 0.0081122362 0.0062557089 0.00013749542 3000 100 0.0042333757 0.0042333757 0.0035407672 0.00016515787 3100 100 0.0035433278 0.0035433278 0.0029683167 0.00033693479 3200 100 0.0030692964 0.0030692964 0.0026495167 0.00043739373 3300 100 0.0033703684 0.0033703684 0.0026931948 0.00014857157 3400 100 0.0018405709 0.0018405709 0.0016990035 6.0202278e-05 3500 100 0.0014788087 0.0014788087 0.0013889916 0.00016730937 3600 100 0.0015932961 0.0015932961 0.0013807898 0.0001418157 3700 100 0.00096238915 0.00096238915 0.00097931829 6.7974535e-05 3800 100 0.00093087985 0.00093087985 0.00087659377 0.0001504142 3900 100 0.0015825065 0.0015825065 0.0011708936 1.9583518e-05 4000 100 0.00062295367 0.00062295367 0.00067129665 3.9455653e-05 4100 100 0.00061259406 0.00061259406 0.00065710963 1.8540759e-05 4200 100 0.00059619666 0.00059619666 0.00064365219 7.3779336e-06 4300 100 0.00051191641 0.00051191641 0.00057870947 6.3349656e-06 4400 100 0.00050668587 0.00050668587 0.00057057233 6.2702376e-06 4500 100 0.00049474942 0.00049474942 0.00055151343 1.5746831e-05 4600 100 0.00049309932 0.00049309932 0.00054086323 6.1021041e-06 4700 100 0.00049263883 0.00049263883 0.00052677244 6.0964056e-06 4800 100 0.00041885021 0.00041885021 0.00047389202 9.5350789e-05 4900 100 0.00035596444 0.00035596444 0.00042522549 5.8036712e-05 5000 100 0.00032946897 0.00032946897 0.00040320773 6.5350005e-06 Loop time of 0.0763179 on 4 procs for 5000 steps with 100 atoms Performance: 28302682.620 tau/day, 65515.469 timesteps/s, 6.552 Matom-step/s 96.7% CPU use with 4 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.0010572 | 0.0039588 | 0.0074661 | 4.6 | 5.19 Neigh | 0.0025868 | 0.0049885 | 0.0075283 | 3.4 | 6.54 Comm | 0.011862 | 0.014631 | 0.018383 | 2.0 | 19.17 Output | 0.0009702 | 0.0012326 | 0.0014234 | 0.5 | 1.62 Modify | 0.0019843 | 0.018558 | 0.036592 | 12.2 | 24.32 Other | | 0.03295 | | | 43.17 Nlocal: 25 ave 54 max 0 min Histogram: 2 0 0 0 0 0 0 0 1 1 Nghost: 4.5 ave 10 max 0 min Histogram: 2 0 0 0 0 0 0 0 1 1 Neighs: 40.5 ave 94 max 0 min Histogram: 2 0 0 0 0 0 0 1 0 1 Total # of neighbors = 162 Ave neighs/atom = 1.62 Neighbor list builds = 281 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 Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule WARNING: Region properties for region container changed between runs, resetting its motion (src/GRANULAR/fix_wall_gran_region.cpp:101) Per MPI rank memory allocation (min/avg/max) = 5.609 | 5.672 | 5.735 Mbytes Step Atoms Temp c_1 c_2 Press 5000 100 0.00032946897 0.00032946897 0.00040320773 6.050219e-06 5100 100 0.54371575 0.54371575 0.29836301 0.008148168 5200 100 0.60281896 0.60281896 0.33161676 0.0083772071 5300 100 0.70823011 0.70823011 0.38289657 0.0099694209 5400 100 0.78467127 0.78467127 0.4133495 0.010119104 5500 100 0.85741178 0.85741178 0.44761254 0.013013239 5600 100 0.93241573 0.93241573 0.47879351 0.017769592 5700 100 1.019104 1.019104 0.51644461 0.015312937 5800 100 1.0550014 1.0550014 0.53450507 0.017227797 5900 100 1.0910946 1.0910946 0.55272891 0.017469625 6000 100 1.1275288 1.1275288 0.56906788 0.018958103 6100 100 1.1545017 1.1545017 0.58324166 0.019220208 6200 100 1.1815817 1.1815817 0.59552677 0.019397271 6300 100 1.1963931 1.1963931 0.60251664 0.018382058 6400 100 1.2084652 1.2084652 0.60776713 0.020027986 6500 100 1.2217215 1.2217215 0.61406339 0.021750945 6600 100 1.2364016 1.2364016 0.62124174 0.021701243 6700 100 1.2739954 1.2739954 0.63930766 0.02025277 6800 100 1.3032733 1.3032733 0.65268105 0.021684843 6900 100 1.3226653 1.3226653 0.66168772 0.021187963 7000 100 1.3464995 1.3464995 0.67431153 0.022066117 7100 100 1.3250485 1.3250485 0.66342366 0.02109487 7200 100 1.3384316 1.3384316 0.67035095 0.021554113 7300 100 1.3280234 1.3280234 0.66553439 0.020829435 7400 100 1.3218971 1.3218971 0.66186263 0.020882591 7500 100 1.3293858 1.3293858 0.66506462 0.020897778 7600 100 1.3386019 1.3386019 0.66909392 0.020754479 7700 100 1.3465327 1.3465327 0.67316081 0.021231547 7800 100 1.3510586 1.3510586 0.67531764 0.021053475 7900 100 1.3508987 1.3508987 0.67535907 0.020769633 8000 100 1.3575635 1.3575635 0.67875993 0.022020776 8100 100 1.3655144 1.3655144 0.68258066 0.021016999 8200 100 1.375187 1.375187 0.68732222 0.021385146 8300 100 1.3799568 1.3799568 0.69000134 0.02114428 8400 100 1.3755871 1.3755871 0.68757909 0.022395102 8500 100 1.3708345 1.3708345 0.68509834 0.021603853 8600 100 1.3689806 1.3689806 0.68388935 0.022127839 8700 100 1.3697516 1.3697516 0.68411868 0.02165119 8800 100 1.3700522 1.3700522 0.68423671 0.021554001 8900 100 1.3705045 1.3705045 0.68451935 0.021470392 9000 100 1.3715107 1.3715107 0.68506443 0.021789844 9100 100 1.3707806 1.3707806 0.68467539 0.021451331 9200 100 1.371112 1.371112 0.68485975 0.021479203 9300 100 1.3716851 1.3716851 0.68516034 0.021515076 9400 100 1.3719031 1.3719031 0.68529221 0.021502802 9500 100 1.3726759 1.3726759 0.68544012 0.021585119 9600 100 1.3746583 1.3746583 0.68636924 0.02206073 9700 100 1.3761662 1.3761662 0.68716579 0.021533719 9800 100 1.3760157 1.3760157 0.687092 0.02163129 9900 100 1.3762626 1.3762626 0.68726404 0.021707045 10000 100 1.376303 1.376303 0.68735031 0.022306557 Loop time of 0.128472 on 4 procs for 5000 steps with 100 atoms Performance: 16812995.511 tau/day, 38918.971 timesteps/s, 3.892 Matom-step/s 98.7% CPU use with 4 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.0012241 | 0.0085024 | 0.016023 | 7.8 | 6.62 Neigh | 0.0051137 | 0.0079745 | 0.011012 | 3.2 | 6.21 Comm | 0.0050448 | 0.009504 | 0.015048 | 4.6 | 7.40 Output | 0.00090309 | 0.0014765 | 0.0019648 | 1.2 | 1.15 Modify | 0.0072253 | 0.041211 | 0.076226 | 16.7 | 32.08 Other | | 0.0598 | | | 46.55 Nlocal: 25 ave 51 max 0 min Histogram: 2 0 0 0 0 0 0 0 0 2 Nghost: 3.25 ave 7 max 0 min Histogram: 2 0 0 0 0 0 0 0 1 1 Neighs: 46 ave 101 max 0 min Histogram: 2 0 0 0 0 0 0 0 1 1 Total # of neighbors = 184 Ave neighs/atom = 1.84 Neighbor list builds = 628 Dangerous builds = 0 region container delete region container block -6 6 -6 6 -6 6 units box run 5000 Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule Per MPI rank memory allocation (min/avg/max) = 5.609 | 5.672 | 5.735 Mbytes Step Atoms Temp c_1 c_2 Press 10000 100 1.376303 1.376303 0.68735031 0.022411506 10100 100 0.28192752 0.28192752 0.16298909 0.0041760951 10200 100 0.14576408 0.14576408 0.10117889 0.0058653094 10300 100 0.10070361 0.10070361 0.078060938 0.0041432979 10400 100 0.07455595 0.07455595 0.061163197 0.0029733745 10500 100 0.063531027 0.063531027 0.052515707 0.0015731241 10600 100 0.049259626 0.049259626 0.041321284 0.00073083104 10700 100 0.037377957 0.037377957 0.032017729 0.0022631642 10800 100 0.031849901 0.031849901 0.027079116 0.0014148618 10900 100 0.02795233 0.02795233 0.02461403 0.00037567522 11000 100 0.02597858 0.02597858 0.022516094 0.00054992645 11100 100 0.021812043 0.021812043 0.019276946 0.00043233309 11200 100 0.019318956 0.019318956 0.017224213 0.00035792964 11300 100 0.017760494 0.017760494 0.01578407 0.00056959435 11400 100 0.015485043 0.015485043 0.013703 0.00061308169 11500 100 0.015051781 0.015051781 0.012994991 0.00040607387 11600 100 0.012204953 0.012204953 0.01079191 0.00059482171 11700 100 0.011242847 0.011242847 0.0096811013 0.00018299476 11800 100 0.0089605707 0.0089605707 0.0075086629 0.0012779422 11900 100 0.0065544011 0.0065544011 0.0056480432 0.00039599272 12000 100 0.0048068901 0.0048068901 0.004185961 0.00022434097 12100 100 0.0045272524 0.0045272524 0.0039084556 7.8443821e-05 12200 100 0.0038926209 0.0038926209 0.0033949999 0.00011203445 12300 100 0.0034653 0.0034653 0.0030246557 0.00014999893 12400 100 0.0034031041 0.0034031041 0.0029879474 7.9628343e-05 12500 100 0.0032219984 0.0032219984 0.0028369239 6.1651251e-05 12600 100 0.0031148659 0.0031148659 0.0027543848 5.7332789e-05 12700 100 0.0027407824 0.0027407824 0.0024822578 5.150993e-05 12800 100 0.0026205294 0.0026205294 0.0023576698 8.896122e-05 12900 100 0.0025633289 0.0025633289 0.0023134486 7.0525939e-05 13000 100 0.0025434711 0.0025434711 0.0022833007 5.5638668e-05 13100 100 0.0025046562 0.0025046562 0.002227265 5.2772716e-05 13200 100 0.0023544645 0.0023544645 0.0021086805 0.00030775943 13300 100 0.0022163971 0.0022163971 0.0020107508 4.9204292e-05 13400 100 0.0021307794 0.0021307794 0.0019334987 4.8144132e-05 13500 100 0.0019891796 0.0019891796 0.0018128084 4.8532374e-05 13600 100 0.0018591538 0.0018591538 0.0016721703 4.4781385e-05 13700 100 0.001768055 0.001768055 0.001597222 1.6800418e-05 13800 100 0.001569014 0.001569014 0.0014331265 4.2982654e-05 13900 100 0.0013700893 0.0013700893 0.0012782771 4.8209662e-05 14000 100 0.0012398662 0.0012398662 0.0011606486 5.5766702e-05 14100 100 0.0011707267 0.0011707267 0.0010811523 3.4913501e-05 14200 100 0.0010483984 0.0010483984 0.0009831881 3.4742894e-05 14300 100 0.0010043196 0.0010043196 0.00092474592 3.4196115e-05 14400 100 0.00094238924 0.00094238924 0.00087181843 8.1414071e-05 14500 100 0.00093341457 0.00093341457 0.00086429224 3.3276909e-05 14600 100 0.00086042474 0.00086042474 0.00079524877 3.2260019e-05 14700 100 0.00080525469 0.00080525469 0.00075380989 2.8374703e-05 14800 100 0.00070848512 0.00070848512 0.0006762901 2.9937591e-05 14900 100 0.00060414588 0.00060414588 0.00058494979 2.5684401e-05 15000 100 0.00054251571 0.00054251571 0.00053643753 4.5496354e-05 Loop time of 0.0553238 on 4 procs for 5000 steps with 100 atoms Performance: 39042861.362 tau/day, 90376.994 timesteps/s, 9.038 Matom-step/s 98.2% CPU use with 4 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.00085556 | 0.0028667 | 0.0052429 | 3.6 | 5.18 Neigh | 0.00076731 | 0.0012173 | 0.0016987 | 1.3 | 2.20 Comm | 0.0016497 | 0.0060965 | 0.010792 | 5.7 | 11.02 Output | 0.00072675 | 0.00099509 | 0.0011615 | 0.0 | 1.80 Modify | 0.00064371 | 0.014719 | 0.030427 | 11.6 | 26.61 Other | | 0.02943 | | | 53.19 Nlocal: 25 ave 54 max 0 min Histogram: 2 0 0 0 0 0 0 0 1 1 Nghost: 5 ave 11 max 0 min Histogram: 2 0 0 0 0 0 0 0 1 1 Neighs: 40 ave 88 max 0 min Histogram: 2 0 0 0 0 0 0 0 1 1 Total # of neighbors = 160 Ave neighs/atom = 1.6 Neighbor list builds = 97 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 Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule Per MPI rank memory allocation (min/avg/max) = 5.609 | 5.672 | 5.735 Mbytes Step Atoms Temp c_1 c_2 Press 15000 100 0.00054251571 0.00054251571 0.00053643753 4.3506263e-05 15100 100 1.1164435 1.1164435 0.7163854 0.017358175 15200 100 1.0384203 1.0384203 0.66790042 0.016095459 15300 100 1.0829984 1.0829984 0.712381 0.015915015 15400 100 1.4187366 1.4187366 0.89537718 0.023771032 15500 100 1.5397547 1.5397547 0.97895571 0.025145916 15600 100 1.7993339 1.7993339 1.1003794 0.026783317 15700 100 1.8858073 1.8858073 1.1481696 0.030802833 15800 100 1.9368129 1.9368129 1.1450129 0.032144729 15900 100 2.0379823 2.0379823 1.1738926 0.031969116 16000 100 2.0655671 2.0655671 1.187038 0.032395513 16100 100 2.1199141 2.1199141 1.2102937 0.028830059 16200 100 2.1819656 2.1819656 1.245147 0.029493813 16300 100 2.2451204 2.2451204 1.2726968 0.029915554 16400 100 2.1697892 2.1697892 1.2342734 0.027495983 16500 100 2.2689358 2.2689358 1.2710223 0.029516621 16600 100 2.3901976 2.3901976 1.3328992 0.030049751 16700 100 2.4731258 2.4731258 1.3763126 0.032663365 16800 100 2.5708338 2.5708338 1.4255635 0.032731991 16900 100 2.7232422 2.7232422 1.5006931 0.036649645 17000 100 2.901986 2.901986 1.5886643 0.037333791 17100 100 2.8787369 2.8787369 1.5752504 0.03582313 17200 100 3.1137189 3.1137189 1.6974538 0.041245422 17300 100 3.1805823 3.1805823 1.7370013 0.040766564 17400 100 3.3215703 3.3215703 1.8109954 0.044269306 17500 100 3.3767256 3.3767256 1.813696 0.048012575 17600 100 3.3618731 3.3618731 1.8004834 0.06103562 17700 100 3.2288285 3.2288285 1.7447885 0.042875761 17800 100 3.2545435 3.2545435 1.7617642 0.04661949 17900 100 3.1162969 3.1162969 1.6850561 0.040086156 18000 100 3.2053719 3.2053719 1.7132296 0.040657811 18100 100 3.2924625 3.2924625 1.7709303 0.048407939 18200 100 3.1682076 3.1682076 1.7136129 0.040996326 18300 100 3.2244534 3.2244534 1.7401102 0.043957312 18400 100 3.1470903 3.1470903 1.7171698 0.043123438 18500 100 3.2690021 3.2690021 1.7803818 0.042693323 18600 100 3.2566233 3.2566233 1.7670476 0.04776305 18700 100 3.384347 3.384347 1.8334885 0.04441225 18800 100 3.6479797 3.6479797 1.9565845 0.047454733 18900 100 3.6894531 3.6894531 1.9767079 0.053222159 19000 100 3.7867788 3.7867788 2.0265223 0.055923793 19100 100 3.9120999 3.9120999 2.0850815 0.053591707 19200 100 3.8255419 3.8255419 2.0517931 0.061034295 19300 100 3.764721 3.764721 2.0089969 0.068118255 19400 100 3.8604884 3.8604884 2.0640292 0.052825172 19500 100 3.7763823 3.7763823 2.0223758 0.054529616 19600 100 3.9158781 3.9158781 2.0873723 0.053130512 19700 100 3.6394071 3.6394071 1.9735106 0.047466529 19800 100 3.5409741 3.5409741 1.9335311 0.047317029 19900 100 3.5961407 3.5961407 1.954696 0.048093129 20000 100 3.4355899 3.4355899 1.8679902 0.0486077 Loop time of 0.107854 on 4 procs for 5000 steps with 100 atoms Performance: 20026986.271 tau/day, 46358.765 timesteps/s, 4.636 Matom-step/s 98.9% CPU use with 4 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.0025992 | 0.0042158 | 0.0061269 | 1.9 | 3.91 Neigh | 0.0089595 | 0.011254 | 0.012853 | 1.3 | 10.43 Comm | 0.020408 | 0.022579 | 0.024669 | 1.4 | 20.94 Output | 0.0010271 | 0.0011457 | 0.0012268 | 0.2 | 1.06 Modify | 0.019454 | 0.032696 | 0.040003 | 4.4 | 30.31 Other | | 0.03596 | | | 33.34 Nlocal: 25 ave 36 max 16 min Histogram: 1 0 1 0 0 0 1 0 0 1 Nghost: 5.5 ave 8 max 2 min Histogram: 1 0 0 0 0 1 0 0 1 1 Neighs: 34.25 ave 48 max 19 min Histogram: 1 1 0 0 0 0 0 0 0 2 Total # of neighbors = 137 Ave neighs/atom = 1.37 Neighbor list builds = 908 Dangerous builds = 0 region container delete region container block -6 6 -6 6 -6 6 units box run 5000 Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule Per MPI rank memory allocation (min/avg/max) = 5.734 | 5.735 | 5.735 Mbytes Step Atoms Temp c_1 c_2 Press 20000 100 3.4355899 3.4355899 1.8679902 0.047866781 20100 100 1.1677914 1.1677914 0.70763342 0.015645481 20200 100 0.99137326 0.99137326 0.61064707 0.012080974 20300 100 0.84603548 0.84603548 0.52093267 0.012501649 20400 100 0.82813609 0.82813609 0.50585936 0.010248184 20500 100 0.86524293 0.86524293 0.5210492 0.011145216 20600 100 0.92229302 0.92229302 0.54567614 0.012838894 20700 100 0.93499886 0.93499886 0.55161401 0.011618713 20800 100 0.95831407 0.95831407 0.56173113 0.014502297 20900 100 0.88486451 0.88486451 0.51926962 0.013847246 21000 100 0.66876325 0.66876325 0.39313901 0.010224296 21100 100 0.46578708 0.46578708 0.28086455 0.0089121873 21200 100 0.21445902 0.21445902 0.14749113 0.0033665892 21300 100 0.12935011 0.12935011 0.09319765 0.002811107 21400 100 0.10572326 0.10572326 0.075154962 0.0034728629 21500 100 0.10952604 0.10952604 0.073864376 0.0017411404 21600 100 0.074321422 0.074321422 0.051368858 0.0037915268 21700 100 0.043324694 0.043324694 0.032954769 0.00092476658 21800 100 0.034911155 0.034911155 0.026843877 0.00061350592 21900 100 0.02261818 0.02261818 0.018357224 0.00049800957 22000 100 0.015096211 0.015096211 0.01390442 0.00059260194 22100 100 0.016119209 0.016119209 0.013990821 0.00038431756 22200 100 0.012184692 0.012184692 0.011062653 0.00030466184 22300 100 0.0090526001 0.0090526001 0.0080893293 0.00082507232 22400 100 0.007155528 0.007155528 0.0067365227 0.00094740021 22500 100 0.0057433117 0.0057433117 0.0057438575 0.00016706605 22600 100 0.0053029734 0.0053029734 0.0050429137 0.00018457156 22700 100 0.0041888319 0.0041888319 0.0039979907 0.00029467329 22800 100 0.0046486843 0.0046486843 0.0042259456 0.00019395675 22900 100 0.0046414295 0.0046414295 0.0040659744 0.00016025205 23000 100 0.0033983576 0.0033983576 0.0033431909 0.00039998961 23100 100 0.0031212625 0.0031212625 0.0031113361 0.00024783655 23200 100 0.0026724347 0.0026724347 0.0026905233 0.00026001445 23300 100 0.0029222876 0.0029222876 0.002946198 0.00012385327 23400 100 0.0023944825 0.0023944825 0.0021829995 0.00016185776 23500 100 0.0020384082 0.0020384082 0.0019106613 9.2139544e-05 23600 100 0.0019773679 0.0019773679 0.0018577006 8.9169073e-05 23700 100 0.0018850072 0.0018850072 0.0017715658 9.1301463e-05 23800 100 0.0020857322 0.0020857322 0.001864009 7.4633597e-05 23900 100 0.0017616498 0.0017616498 0.001680563 4.8547939e-05 24000 100 0.0017183254 0.0017183254 0.0016568629 6.56741e-05 24100 100 0.0014311732 0.0014311732 0.0013829993 6.0743962e-05 24200 100 0.0013434756 0.0013434756 0.001315682 0.00025727478 24300 100 0.0012855885 0.0012855885 0.0012558467 9.0130585e-05 24400 100 0.0012731213 0.0012731213 0.0012408428 8.2008231e-05 24500 100 0.0011333063 0.0011333063 0.001045815 8.8391061e-05 24600 100 0.0010560932 0.0010560932 0.00098304208 5.6725938e-05 24700 100 0.00097698038 0.00097698038 0.00092381967 7.1771848e-05 24800 100 0.00094316799 0.00094316799 0.00089343119 5.5558578e-05 24900 100 0.00082812377 0.00082812377 0.00076615512 5.8668812e-05 25000 100 0.00076097781 0.00076097781 0.00069462801 6.5742694e-05 Loop time of 0.0523621 on 4 procs for 5000 steps with 100 atoms Performance: 41251226.669 tau/day, 95488.951 timesteps/s, 9.549 Matom-step/s 98.6% CPU use with 4 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.0011166 | 0.0029573 | 0.0049613 | 3.3 | 5.65 Neigh | 0.0026276 | 0.0033989 | 0.0041666 | 1.1 | 6.49 Comm | 0.0054479 | 0.0084136 | 0.01182 | 2.9 | 16.07 Output | 0.00070658 | 0.00092447 | 0.0010421 | 0.0 | 1.77 Modify | 0.0015069 | 0.012796 | 0.025273 | 9.9 | 24.44 Other | | 0.02387 | | | 45.59 Nlocal: 25 ave 55 max 0 min Histogram: 2 0 0 0 0 0 0 0 1 1 Nghost: 6 ave 14 max 0 min Histogram: 2 0 0 0 0 0 0 1 0 1 Neighs: 39.25 ave 88 max 0 min Histogram: 2 0 0 0 0 0 0 1 0 1 Total # of neighbors = 157 Ave neighs/atom = 1.57 Neighbor list builds = 280 Dangerous builds = 0 Total wall time: 0:00:00