LAMMPS (5 Oct 2016) # 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 yes compute 2 all temp/sphere compute_modify 2 dynamic yes thermo 100 thermo_style custom step atoms temp c_1 c_2 press thermo_modify lost ignore compute_modify thermo_temp dynamic 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 ... 1 neighbor list requests 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 Memory usage per processor = 0.201172 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 0.39112377 0.39112377 0.21690744 0.0086559347 1300 81 0.33302801 0.33302801 0.19110222 0.0033381288 1400 81 0.39333146 0.39333146 0.21220965 0.0041348597 1500 81 0.35493951 0.35493951 0.19924958 0.00373736 1600 81 0.34154491 0.34154491 0.19031147 0.005349672 1700 100 0.25598828 0.25598828 0.14171498 0.0092236643 1800 100 0.2114074 0.2114074 0.12162965 0.0027213483 1900 100 0.21810423 0.21810423 0.12176698 0.0036436034 2000 100 0.2553198 0.2553198 0.13900087 0.0032844504 2100 100 0.24809937 0.24809937 0.13753654 0.0088764373 2200 100 0.22455642 0.22455642 0.12500977 0.0043517009 2300 100 0.19586874 0.19586874 0.11064996 0.0055178814 2400 100 0.059619074 0.059619074 0.045535036 0.00079051539 2500 100 0.052222462 0.052222462 0.038563852 0.00098981299 2600 100 0.036930777 0.036930777 0.027579114 0.0012285499 2700 100 0.027937818 0.027937818 0.020587353 0.00063085447 2800 100 0.02103783 0.02103783 0.015469157 0.00050316582 2900 100 0.010408128 0.010408128 0.0084894275 0.00035440391 3000 100 0.0077664382 0.0077664382 0.0068149074 0.0011153614 3100 100 0.0088789208 0.0088789208 0.0070143391 0.00032679783 3200 100 0.0077683432 0.0077683432 0.0059711038 0.00044762363 3300 100 0.00411 0.00411 0.00372409 0.00015328221 3400 100 0.0039192171 0.0039192171 0.0032409072 9.3603399e-05 3500 100 0.0023532199 0.0023532199 0.0020924799 0.00049044152 3600 100 0.0022544513 0.0022544513 0.0019545724 8.1086108e-05 3700 100 0.0012696379 0.0012696379 0.0013134108 5.0058058e-05 3800 100 0.0012035225 0.0012035225 0.0012490584 6.0331967e-05 3900 100 0.00080361803 0.00080361803 0.00094424552 6.7229227e-05 4000 100 0.00060715659 0.00060715659 0.00076521759 6.7029916e-05 4100 100 0.00058510487 0.00058510487 0.00073844578 5.5867098e-05 4200 100 0.00046832309 0.00046832309 0.00060848748 5.3853715e-05 4300 100 0.00045207186 0.00045207186 0.00057825336 4.8367831e-05 4400 100 0.00041874845 0.00041874845 0.00053103589 8.666037e-05 4500 100 0.00041136295 0.00041136295 0.00052246056 6.0456585e-05 4600 100 0.00041021147 0.00041021147 0.0005190668 4.8701604e-05 4700 100 0.00037176253 0.00037176253 0.00049156279 5.8874891e-05 4800 100 0.0003262417 0.0003262417 0.00045551846 5.0610728e-05 4900 100 0.00028093583 0.00028093583 0.00042099654 4.6558605e-05 5000 100 0.00027730599 0.00027730599 0.00041664922 4.7053044e-05 Loop time of 0.081454 on 1 procs for 5000 steps with 100 atoms Performance: 26518022.146 tau/day, 61384.311 timesteps/s 99.4% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.0085223 | 0.0085223 | 0.0085223 | 0.0 | 10.46 Neigh | 0.01466 | 0.01466 | 0.01466 | 0.0 | 18.00 Comm | 0.00076532 | 0.00076532 | 0.00076532 | 0.0 | 0.94 Output | 0.00052285 | 0.00052285 | 0.00052285 | 0.0 | 0.64 Modify | 0.05317 | 0.05317 | 0.05317 | 0.0 | 65.28 Other | | 0.003814 | | | 4.68 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 = 306 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 Memory usage per processor = 5.26337 Mbytes Step Atoms Temp c_1 c_2 Press 5000 100 0.00027730599 0.00027730599 0.00041664922 4.705763e-05 5100 100 0.60717077 0.60717077 0.33118944 0.010686501 5200 100 0.64991179 0.64991179 0.35498767 0.011370453 5300 100 0.72038713 0.72038713 0.38745069 0.010507667 5400 100 0.81357499 0.81357499 0.42946808 0.012920419 5500 100 0.90488411 0.90488411 0.46803321 0.015077428 5600 100 0.99065617 0.99065617 0.50811954 0.015556572 5700 100 1.0701203 1.0701203 0.54641187 0.016464366 5800 100 1.1351242 1.1351242 0.57607707 0.017832476 5900 100 1.1883602 1.1883602 0.60022389 0.019571838 6000 100 1.2153421 1.2153421 0.61245652 0.020549414 6100 100 1.2369293 1.2369293 0.62229634 0.01827529 6200 100 1.2556883 1.2556883 0.63207905 0.020286322 6300 100 1.2618555 1.2618555 0.63610311 0.019844583 6400 100 1.2671678 1.2671678 0.63873131 0.019817249 6500 100 1.2875312 1.2875312 0.64728693 0.020097362 6600 100 1.3014055 1.3014055 0.65413071 0.020000886 6700 100 1.2904021 1.2904021 0.6485358 0.020009625 6800 100 1.2962767 1.2962767 0.65088367 0.021340143 6900 100 1.3056081 1.3056081 0.65490644 0.020455771 7000 100 1.3116731 1.3116731 0.65766216 0.020475061 7100 100 1.319457 1.319457 0.66105016 0.020937651 7200 100 1.3213585 1.3213585 0.66207982 0.02120792 7300 100 1.3232411 1.3232411 0.66392391 0.021040683 7400 100 1.3300163 1.3300163 0.66599805 0.021202273 7500 100 1.3350122 1.3350122 0.66894534 0.021161833 7600 100 1.3344633 1.3344633 0.6688403 0.020871936 7700 100 1.3492825 1.3492825 0.6751371 0.021415859 7800 100 1.3539647 1.3539647 0.67757279 0.021306442 7900 100 1.3527157 1.3527157 0.67722774 0.021793531 8000 100 1.3526931 1.3526931 0.67713399 0.022973395 8100 100 1.3568279 1.3568279 0.67936578 0.021422428 8200 100 1.3599258 1.3599258 0.68113142 0.021397012 8300 100 1.3601893 1.3601893 0.68165656 0.021643375 8400 100 1.3752164 1.3752164 0.68788213 0.022208765 8500 100 1.3821458 1.3821458 0.69165274 0.022015877 8600 100 1.3784691 1.3784691 0.68964478 0.022144188 8700 100 1.3801422 1.3801422 0.6904093 0.0220402 8800 100 1.3900051 1.3900051 0.6947875 0.02216362 8900 100 1.3897902 1.3897902 0.69427134 0.023078569 9000 100 1.3909918 1.3909918 0.69456955 0.022043699 9100 100 1.3925028 1.3925028 0.69519141 0.022180156 9200 100 1.3923277 1.3923277 0.69512657 0.022113729 9300 100 1.3945193 1.3945193 0.69625374 0.022344694 9400 100 1.3960782 1.3960782 0.69705144 0.022181158 9500 100 1.3932407 1.3932407 0.69560365 0.022129998 9600 100 1.3925489 1.3925489 0.69532399 0.022124653 9700 100 1.3935299 1.3935299 0.69581607 0.022258368 9800 100 1.3933949 1.3933949 0.69579137 0.022209028 9900 100 1.3934712 1.3934712 0.69587898 0.022214942 10000 100 1.3935828 1.3935828 0.69598655 0.022231414 Loop time of 0.261407 on 1 procs for 5000 steps with 100 atoms Performance: 8262972.563 tau/day, 19127.251 timesteps/s 99.8% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.042233 | 0.042233 | 0.042233 | 0.0 | 16.16 Neigh | 0.035131 | 0.035131 | 0.035131 | 0.0 | 13.44 Comm | 0.0010462 | 0.0010462 | 0.0010462 | 0.0 | 0.40 Output | 0.00051785 | 0.00051785 | 0.00051785 | 0.0 | 0.20 Modify | 0.17687 | 0.17687 | 0.17687 | 0.0 | 67.66 Other | | 0.00561 | | | 2.15 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: 187 ave 187 max 187 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 187 Ave neighs/atom = 1.87 Neighbor list builds = 634 Dangerous builds = 0 region container delete region container block -6 6 -6 6 -6 6 units box run 5000 Memory usage per processor = 5.26337 Mbytes Step Atoms Temp c_1 c_2 Press 10000 100 1.3935828 1.3935828 0.69598655 0.02230659 10100 100 0.3402861 0.3402861 0.19584226 0.014767914 10200 100 0.19064555 0.19064555 0.12536788 0.0025413789 10300 100 0.13281358 0.13281358 0.10275768 0.002843208 10400 100 0.10124671 0.10124671 0.077914135 0.0017745353 10500 100 0.082636734 0.082636734 0.063857622 0.001419336 10600 100 0.066744462 0.066744462 0.051927437 0.0010830674 10700 100 0.060778462 0.060778462 0.047461784 0.0011418844 10800 100 0.043437178 0.043437178 0.032805669 0.0017050393 10900 100 0.036483219 0.036483219 0.027387805 0.00086936813 11000 100 0.027639076 0.027639076 0.021221241 0.00054920607 11100 100 0.023614696 0.023614696 0.018445634 0.00058724552 11200 100 0.020103248 0.020103248 0.015933089 0.00072830275 11300 100 0.018645345 0.018645345 0.014559759 0.0002319388 11400 100 0.015499672 0.015499672 0.01248828 0.00036020862 11500 100 0.013421296 0.013421296 0.010743248 0.00043093929 11600 100 0.011214892 0.011214892 0.0089653924 0.00059789544 11700 100 0.0086660806 0.0086660806 0.0070563902 0.00029684573 11800 100 0.0064777244 0.0064777244 0.0052946156 0.00046466386 11900 100 0.0059360881 0.0059360881 0.0048568813 8.361561e-05 12000 100 0.0045341025 0.0045341025 0.003883229 0.00016408047 12100 100 0.0042504415 0.0042504415 0.0036944958 6.5005147e-05 12200 100 0.0041367637 0.0041367637 0.0035928232 7.3025698e-05 12300 100 0.0037700129 0.0037700129 0.003283398 6.381318e-05 12400 100 0.0033494476 0.0033494476 0.0029274495 4.7731105e-05 12500 100 0.0030903175 0.0030903175 0.0027068073 6.797313e-05 12600 100 0.0026406999 0.0026406999 0.0023315387 0.0002371331 12700 100 0.0025020713 0.0025020713 0.0022367855 4.2787276e-05 12800 100 0.0022977381 0.0022977381 0.0020778307 3.9744567e-05 12900 100 0.002039634 0.002039634 0.0018862012 0.00011669223 13000 100 0.0018044702 0.0018044702 0.00171399 0.00013835538 13100 100 0.0016600965 0.0016600965 0.0015553191 3.2320019e-05 13200 100 0.0015596204 0.0015596204 0.001486374 1.9246911e-05 13300 100 0.001316505 0.001316505 0.0012105249 9.1469679e-05 13400 100 0.0012517536 0.0012517536 0.0011525753 4.815292e-05 13500 100 0.0010827608 0.0010827608 0.001038339 2.0913017e-05 13600 100 0.0009863908 0.0009863908 0.00095924929 9.7716736e-05 13700 100 0.00094543599 0.00094543599 0.00092425645 1.378887e-05 13800 100 0.00087893271 0.00087893271 0.00086801608 1.8981177e-05 13900 100 0.00080241572 0.00080241572 0.0007930026 5.0987122e-05 14000 100 0.00070705631 0.00070705631 0.00069238137 1.2900066e-05 14100 100 0.0006525032 0.0006525032 0.000637991 0.00010838464 14200 100 0.00059338444 0.00059338444 0.00057560454 7.3431324e-06 14300 100 0.00058641228 0.00058641228 0.00056944735 7.256852e-06 14400 100 0.00056221112 0.00056221112 0.00054625666 8.1343426e-06 14500 100 0.00055493127 0.00055493127 0.00053957583 1.1713058e-05 14600 100 0.00052854921 0.00052854921 0.00051816618 8.6527225e-06 14700 100 0.00052630581 0.00052630581 0.00051584277 6.4890475e-06 14800 100 0.00052563819 0.00052563819 0.00051493123 1.2687153e-05 14900 100 0.00052131364 0.00052131364 0.00050917244 7.4589995e-08 15000 100 0.00051902191 0.00051902191 0.00050725364 6.4228962e-06 Loop time of 0.0895741 on 1 procs for 5000 steps with 100 atoms Performance: 24114113.723 tau/day, 55819.708 timesteps/s 99.3% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.0098987 | 0.0098987 | 0.0098987 | 0.0 | 11.05 Neigh | 0.0061045 | 0.0061045 | 0.0061045 | 0.0 | 6.81 Comm | 0.00069976 | 0.00069976 | 0.00069976 | 0.0 | 0.78 Output | 0.00049758 | 0.00049758 | 0.00049758 | 0.0 | 0.56 Modify | 0.068435 | 0.068435 | 0.068435 | 0.0 | 76.40 Other | | 0.003939 | | | 4.40 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: 160 ave 160 max 160 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 160 Ave neighs/atom = 1.6 Neighbor list builds = 111 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 Memory usage per processor = 5.26337 Mbytes Step Atoms Temp c_1 c_2 Press 15000 100 0.00051902191 0.00051902191 0.00050725364 6.4228962e-06 15100 100 1.1235353 1.1235353 0.72003773 0.013686681 15200 100 1.0778556 1.0778556 0.69137925 0.013478363 15300 100 1.069015 1.069015 0.69798184 0.014165255 15400 100 1.2249943 1.2249943 0.79096059 0.020933395 15500 100 1.5225664 1.5225664 0.94822282 0.023932611 15600 100 1.5867194 1.5867194 0.98143504 0.024565132 15700 100 1.6595267 1.6595267 1.0203985 0.025152432 15800 100 1.8188027 1.8188027 1.0857586 0.031597641 15900 100 1.9234102 1.9234102 1.1099361 0.032381895 16000 100 2.039435 2.039435 1.1656948 0.032501981 16100 100 2.17315 2.17315 1.2265552 0.032675825 16200 100 2.2017279 2.2017279 1.23995 0.028634878 16300 100 2.3510902 2.3510902 1.3055642 0.03248003 16400 100 2.373932 2.373932 1.3059254 0.031292969 16500 100 2.5010862 2.5010862 1.3607219 0.032322054 16600 100 2.4815092 2.4815092 1.3524159 0.031223889 16700 100 2.6549226 2.6549226 1.4383508 0.033713507 16800 100 2.8087564 2.8087564 1.5261538 0.036598837 16900 100 2.8653588 2.8653588 1.5649123 0.035890231 17000 100 2.903748 2.903748 1.5907716 0.038038745 17100 100 2.9679376 2.9679376 1.6195577 0.051771432 17200 100 2.9632377 2.9632377 1.6233074 0.039825751 17300 100 3.0436883 3.0436883 1.6591248 0.042862982 17400 100 3.0969015 3.0969015 1.6811582 0.042104811 17500 100 3.0827135 3.0827135 1.691414 0.045839327 17600 100 3.0854805 3.0854805 1.689399 0.041770144 17700 100 3.07523 3.07523 1.6685518 0.045104715 17800 100 2.9610899 2.9610899 1.6349099 0.039060791 17900 100 2.8002989 2.8002989 1.5665223 0.037917927 18000 100 2.9139644 2.9139644 1.6206891 0.050841302 18100 100 3.0134757 3.0134757 1.6673916 0.040967255 18200 100 3.0731184 3.0731184 1.6777507 0.043503474 18300 100 3.0915242 3.0915242 1.6843452 0.040157898 18400 100 3.098896 3.098896 1.6904524 0.039629218 18500 100 3.1651814 3.1651814 1.7290259 0.042604953 18600 100 3.353247 3.353247 1.8236992 0.045132486 18700 100 3.540156 3.540156 1.9078363 0.046602063 18800 100 3.6395129 3.6395129 1.9578976 0.045659959 18900 100 3.7638134 3.7638134 2.0179445 0.051061068 19000 100 3.7603453 3.7603453 2.003355 0.057123184 19100 100 3.9218495 3.9218495 2.0968869 0.057671742 19200 100 3.9924222 3.9924222 2.1321955 0.051824898 19300 100 3.9690887 3.9690887 2.1270643 0.054832867 19400 100 3.9408481 3.9408481 2.1146593 0.057020024 19500 100 3.8313782 3.8313782 2.0610797 0.055164704 19600 100 3.8317496 3.8317496 2.0668123 0.049840804 19700 100 3.6068628 3.6068628 1.964227 0.05142407 19800 100 3.5477437 3.5477437 1.9314948 0.051076014 19900 100 3.6526881 3.6526881 1.9855353 0.047130029 20000 100 3.7243709 3.7243709 2.0380212 0.048446835 Loop time of 0.206397 on 1 procs for 5000 steps with 100 atoms Performance: 10465265.522 tau/day, 24225.152 timesteps/s 100.3% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.014297 | 0.014297 | 0.014297 | 0.0 | 6.93 Neigh | 0.050213 | 0.050213 | 0.050213 | 0.0 | 24.33 Comm | 0.0011115 | 0.0011115 | 0.0011115 | 0.0 | 0.54 Output | 0.00051141 | 0.00051141 | 0.00051141 | 0.0 | 0.25 Modify | 0.13415 | 0.13415 | 0.13415 | 0.0 | 65.00 Other | | 0.006114 | | | 2.96 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: 142 ave 142 max 142 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 142 Ave neighs/atom = 1.42 Neighbor list builds = 899 Dangerous builds = 0 region container delete region container block -6 6 -6 6 -6 6 units box run 5000 Memory usage per processor = 5.26337 Mbytes Step Atoms Temp c_1 c_2 Press 20000 100 3.7243709 3.7243709 2.0380212 0.048156434 20100 100 1.1186527 1.1186527 0.69104385 0.014964891 20200 100 0.91445605 0.91445605 0.57005236 0.011324474 20300 100 0.8936601 0.8936601 0.55534411 0.011071843 20400 100 0.90773143 0.90773143 0.55999953 0.011254101 20500 100 0.91995508 0.91995508 0.55837916 0.011548541 20600 100 0.91682167 0.91682167 0.54095261 0.012563797 20700 100 0.97806337 0.97806337 0.56016442 0.012396925 20800 100 0.97778738 0.97778738 0.55606194 0.015441479 20900 100 0.77253213 0.77253213 0.44636799 0.011428992 21000 100 0.63053468 0.63053468 0.35995394 0.01005502 21100 100 0.25437539 0.25437539 0.16544433 0.004628738 21200 100 0.11828032 0.11828032 0.087911985 0.0037076362 21300 100 0.11219312 0.11219312 0.080957112 0.0015847347 21400 100 0.10765357 0.10765357 0.074676159 0.0022823419 21500 100 0.060787093 0.060787093 0.046135213 0.00091422949 21600 100 0.040447932 0.040447932 0.033050575 0.0013404194 21700 100 0.035227782 0.035227782 0.02916621 0.00138779 21800 100 0.03309101 0.03309101 0.026613861 0.00058184323 21900 100 0.031461843 0.031461843 0.024751985 0.0013090333 22000 100 0.021624144 0.021624144 0.017872639 0.0010893822 22100 100 0.016728267 0.016728267 0.01403934 0.00049128736 22200 100 0.016256915 0.016256915 0.013763903 0.00047288638 22300 100 0.01349256 0.01349256 0.011498343 0.0013508309 22400 100 0.010027007 0.010027007 0.0087924966 0.00030117996 22500 100 0.0107355 0.0107355 0.0088715062 0.001043188 22600 100 0.0095852245 0.0095852245 0.007965421 0.00028464236 22700 100 0.0072956464 0.0072956464 0.0062403843 0.00061636772 22800 100 0.0060874415 0.0060874415 0.0054788049 0.00021135824 22900 100 0.0059688159 0.0059688159 0.0049530273 0.00022094116 23000 100 0.0050218996 0.0050218996 0.0043518404 0.00022527705 23100 100 0.005022208 0.005022208 0.0043118432 0.00052482006 23200 100 0.0047096056 0.0047096056 0.0039698638 0.00026423471 23300 100 0.0039510068 0.0039510068 0.0034773285 0.0001891104 23400 100 0.0037308781 0.0037308781 0.0031763304 0.00027163016 23500 100 0.0036278619 0.0036278619 0.0030371899 0.00017961072 23600 100 0.0033598677 0.0033598677 0.0027586323 0.00015034494 23700 100 0.0028530843 0.0028530843 0.0024809444 0.00012294415 23800 100 0.0025388819 0.0025388819 0.0022812799 0.00018946676 23900 100 0.0021129272 0.0021129272 0.0019905358 0.00015816903 24000 100 0.0021010978 0.0021010978 0.0019864539 0.00017086049 24100 100 0.0022189886 0.0022189886 0.0020466911 0.00030932562 24200 100 0.0019226314 0.0019226314 0.0017933042 9.3246067e-05 24300 100 0.0016875781 0.0016875781 0.0015999656 9.9935458e-05 24400 100 0.0015929611 0.0015929611 0.001531011 9.7429139e-05 24500 100 0.0015143044 0.0015143044 0.0014044175 9.807117e-05 24600 100 0.0018595492 0.0018595492 0.0014740944 7.4734729e-05 24700 100 0.0011646988 0.0011646988 0.0010881356 6.1197025e-05 24800 100 0.0014641612 0.0014641612 0.0012316664 8.81462e-05 24900 100 0.001024996 0.001024996 0.00094311114 5.8776472e-05 25000 100 0.00097890442 0.00097890442 0.00090302317 3.3980657e-05 Loop time of 0.0954661 on 1 procs for 5000 steps with 100 atoms Performance: 22625823.872 tau/day, 52374.592 timesteps/s 99.5% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.01234 | 0.01234 | 0.01234 | 0.0 | 12.93 Neigh | 0.015404 | 0.015404 | 0.015404 | 0.0 | 16.14 Comm | 0.00077391 | 0.00077391 | 0.00077391 | 0.0 | 0.81 Output | 0.000494 | 0.000494 | 0.000494 | 0.0 | 0.52 Modify | 0.062222 | 0.062222 | 0.062222 | 0.0 | 65.18 Other | | 0.004233 | | | 4.43 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: 150 ave 150 max 150 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 150 Ave neighs/atom = 1.5 Neighbor list builds = 283 Dangerous builds = 0 Total wall time: 0:00:00