LAMMPS (22 Jun 2007) ################# read in restart file ################# ### must go before read_restart because this is where sim box is defined ### processors 6 1 6 ### hard coded for grabbing equilibrated data ### read_restart ./restart_grid52_90000.rst orthogonal box = (0 0 0) to (160 160 160) 6 by 1 by 6 processor grid 1286486 atoms log ./grid57/droplet_grid57_90000.log ################# geometry ################# neighbor 1.0 bin neigh_modify delay 5 every 1 lattice fcc 0.7 Lattice spacing in x,y,z = 1.78781 1.78781 1.78781 region sim_box block 0 160 0 160 0 160 region liq_init block 0 160 0 70 0 160 region drop_init sphere 80 113.1037 80 13.1037 region vap_init union 2 liq_init drop_init side out region drop_temp sphere 80 113.1037 80 17.1037 region liq_temp block 0 160 0 72 0 160 region vap_temp union 2 liq_temp drop_temp side out ########### computes and fixes ################################## compute t_total all temp compute t_drop_equil all temp/region drop_temp compute t_liq_equil all temp/region liq_temp compute t_vap_equil all temp/region vap_temp fix 1 all nve ###################### EQULIBRATION ############################################### fix 2 drop_equil com 5000 ./grid57/com_drop_equil_grid57_90000.dat fix 3 drop_equil rdf 5000 ./grid57/rdf_drop_equil_grid57_90000.dat 100 1 1 fix 4 liq_equil rdf 5000 ./grid57/rdf_liq_equil_grid57_90000.dat 100 1 1 fix 5 all ave/spatial 100 1000 y lower 1.0 ./grid57/num_density_grid57_90000.dat density number norm all units box shell mkdir ./grid57/restartsgrid57 restart 5000 ./grid57/restartsgrid57/restart_grid57_*.rst timestep 0.009 thermo_style custom step temp press pe ke etotal enthalpy epair vol pxx pyy pzz pxy pxz pyz tave pave eave peave c_t_total c_t_drop_equil c_t_liq_equil c_t_vap_equil thermo 500 thermo_modify temp t_total window 5 shell mkdir ./grid57/dumpsgrid57 dump mydump all custom 5000 ./grid57/dumpsgrid57/dump_droplet_grid57_*.out tag type x y z ix iy iz vx vy vz run 130000 upto Memory usage per processor = 44.6569 Mbytes Step Temp Press PotEng KinEng TotEng Enthalpy E_pair Volume Pxx Pyy Pzz Pxy Pxz Pyz T_ave P_ave E_ave PE_ave t_total t_drop_e t_liq_eq t_vap_eq 90000 0.91668721 0.011845968 -4.7332338 1.3750297 -3.3582041 -3.3204881 -4.7332338 4096000 0.0096005152 0.013785235 0.012152154 0.00040691828 0.00082159652 -0.00076783663 0.91668721 0.011845968 -3.3582041 -4.7332338 0.91668721 0 0.91657663 0.92409515 90500 0.91599642 0.011745785 -4.7321706 1.3739936 -3.358177 -3.32078 -4.7321706 4096000 0.010875055 0.01496065 0.0094016498 0.0013867304 0.00069093805 0.00077868931 0.91634181 0.011795876 -3.3581906 -4.7327022 0.91599642 0 0.91585382 0.92532565 91000 0.91554811 0.0096183105 -4.7314784 1.3733211 -3.3581573 -3.3275339 -4.7314784 4096000 0.0085759242 0.014228934 0.0060500728 -0.00035610973 0.0017537256 0.00044668026 0.91607724 0.011070021 -3.3581795 -4.7322943 0.91554811 0 0.91536436 0.9275951 91500 0.91529489 0.01075939 -4.7310916 1.3729413 -3.3581503 -3.3238938 -4.7310916 4096000 0.0084437057 0.0147082 0.0091262648 0.00069207612 0.0017466047 -0.0010235177 0.91588166 0.010992363 -3.3581722 -4.7319936 0.91529489 0 0.91520895 0.92103827 92000 0.91570493 0.012042127 -4.731736 1.3735563 -3.3581797 -3.3198392 -4.731736 4096000 0.011775786 0.015283925 0.0090666699 -0.00084720947 -6.7336889e-05 0.00037292013 0.91584631 0.011202316 -3.3581737 -4.7319421 0.91570493 0 0.91544856 0.93258045 92500 0.91649751 0.012920471 -4.7329652 1.3747452 -3.35822 -3.317083 -4.7329652 4096000 0.01097721 0.015624474 0.012159727 0.00064633155 -0.00063013976 -0.00010042168 0.91580837 0.011417217 -3.3581769 -4.7318884 0.91649751 0 0.91632503 0.92787648 93000 0.91604715 0.016507696 -4.7322828 1.3740697 -3.3582131 -3.3056548 -4.7322828 4096000 0.015912277 0.020953146 0.012657665 -0.0011520741 8.199239e-05 0.0016244424 0.91581852 0.012369599 -3.3581841 -4.7319108 0.91604715 0 0.91592832 0.92384917 93500 0.91739348 0.012956247 -4.7343233 1.3760892 -3.3582341 -3.3169831 -4.7343233 4096000 0.00922119 0.015479548 0.014168003 -0.0002566415 -0.00017853135 -0.0018915822 0.91618759 0.013037186 -3.3581995 -4.7324798 0.91739348 0 0.91726615 0.92577857 94000 0.91621162 0.012879453 -4.7325149 1.3743164 -3.3581985 -3.3171921 -4.7325149 4096000 0.0078223508 0.018683505 0.012132502 -0.00015473647 -0.0018740046 -0.0010461334 0.91637094 0.013461199 -3.3582091 -4.7327644 0.91621162 0 0.91603245 0.928168 94500 0.91593942 0.010361276 -4.7320646 1.3739081 -3.3581565 -3.3251676 -4.7320646 4096000 0.0082042304 0.013419362 0.0094602342 -7.1354776e-05 -0.00017464414 -0.00014638743 0.91641784 0.013125028 -3.3582045 -4.7328301 0.91593942 0 0.91581359 0.92441184 95000 0.91594912 0.0093695981 -4.7320687 1.3739226 -3.3581461 -3.3283145 -4.7320687 4096000 0.0068818608 0.015115563 0.0061113707 -0.00025044801 7.6987861e-05 0.00058899739 0.91630816 0.012414854 -3.3581897 -4.7326508 0.91594912 0 0.91574867 0.92931908 95500 0.91662809 0.011348147 -4.7331267 1.3749411 -3.3581857 -3.3220547 -4.7331267 4096000 0.01121007 0.014825502 0.0080088702 0.00082990542 -0.00068239437 -0.0002226399 0.91642435 0.011382944 -3.3581842 -4.7328196 0.91662809 0 0.91632484 0.93636764 96000 0.91634801 0.010714474 -4.7327008 1.3745209 -3.3581798 -3.3240664 -4.7327008 4096000 0.0092309671 0.015359178 0.0075532783 0.0016020616 -0.00057401324 0.00025957478 0.91621525 0.01093459 -3.3581733 -4.7324951 0.91634801 0 0.916082 0.93369066 96500 0.91705125 0.014081225 -4.7337946 1.3755758 -3.3582188 -3.3133861 -4.7337946 4096000 0.012103923 0.017650137 0.012489615 0.0020925548 0.0013028347 -0.0021398845 0.91638318 0.011174944 -3.3581774 -4.7327511 0.91705125 0 0.91687734 0.92849335 97000 0.91674919 0.013558912 -4.7333315 1.3751227 -3.3582088 -3.315039 -4.7333315 4096000 0.013016662 0.017474696 0.010185379 0.0010213917 -0.0014181179 -0.0003557721 0.91654513 0.011814471 -3.3581878 -4.7330045 0.91674919 0 0.91653376 0.9307801 97500 0.91632568 0.01294381 -4.7326937 1.3744875 -3.3582062 -3.3169948 -4.7326937 4096000 0.012739984 0.015528963 0.010562481 -3.0934512e-05 0.0025052824 -0.00094207304 0.91662045 0.012529314 -3.3581999 -4.7331295 0.91632568 0 0.91619883 0.9247044 98000 0.91615755 0.012339821 -4.7324115 1.3742353 -3.3581762 -3.3188879 -4.7324115 4096000 0.0073670255 0.016146239 0.013506199 0.00063171713 -0.00045711934 0.00034179481 0.91652634 0.012727648 -3.358198 -4.7329864 0.91615755 0 0.91608207 0.92118168 98500 0.91510156 0.012788768 -4.7307965 1.3726513 -3.3581453 -3.3174275 -4.7307965 4096000 0.0091188266 0.018680986 0.010566493 -0.00044245599 -0.00062928016 0.00059691656 0.91627705 0.013142507 -3.3581911 -4.7326056 0.91510156 0 0.91494258 0.92555444 99000 0.9161051 0.012235133 -4.7323437 1.3741566 -3.3581872 -3.3192321 -4.7323437 4096000 0.010282403 0.015727468 0.010695529 0.0021618063 0.00044202052 0.00023322427 0.91608782 0.012773289 -3.3581847 -4.7323154 0.9161051 0 0.91596286 0.92532872 99500 0.91539216 0.01399858 -4.7312592 1.3730872 -3.358172 -3.3136024 -4.7312592 4096000 0.013674749 0.017520893 0.010800099 -0.0017294089 0.00052649573 0.00037672553 0.91581641 0.012861222 -3.3581774 -4.7319009 0.91539216 0 0.9152103 0.92743694 100000 0.91622091 0.012433923 -4.732525 1.3743303 -3.3581947 -3.3186068 -4.732525 4096000 0.010066129 0.016609201 0.010626437 0.0021432226 0.00077677879 -0.00039573284 0.91579545 0.012759245 -3.3581751 -4.7318672 0.91622091 0 0.91610176 0.92419231 ######## abridged output here to reduce size of attachment to email ########### 129000 0.91563448 0.013568917 -4.7316312 1.3734506 -3.3581806 -3.314979 -4.7316312 4096000 0.014850149 0.01834028 0.0075163202 0.0018379734 -0.0032786525 0.00022552279 0.91568454 0.013383453 -3.3581766 -4.7317023 0.91563448 0 0.91553727 0.92204687 129500 0.91653984 0.011759782 -4.7329888 1.3748087 -3.3581801 -3.3207385 -4.7329888 4096000 0.010918225 0.014740819 0.0096203026 0.0015376258 -0.00094797113 0.0006573129 0.91585101 0.013302837 -3.3581798 -4.7319552 0.91653984 0 0.91650543 0.91887546 130000 0.91558673 0.010422385 -4.7315289 1.373379 -3.3581499 -3.3249664 -4.7315289 4096000 0.011112308 0.013351397 0.0068034509 -0.0010550201 -0.00036052955 0.0021184049 0.91590128 0.012470564 -3.3581759 -4.7320268 0.91558673 0 0.91556036 0.91737558 Loop time of 70754.4 on 36 procs for 40000 steps with 1286486 atoms Pair time (%) = 44809.8 (63.3314) Neigh time (%) = 8082.29 (11.423) Comm time (%) = 17049.8 (24.0972) Outpt time (%) = 81.4327 (0.115092) Other time (%) = 731.066 (1.03324) Nlocal: 35735.7 ave 38265 max 34809 min Histogram: 5 11 7 8 2 1 0 1 0 1 Nghost: 35544.5 ave 37178 max 33979 min Histogram: 1 2 6 6 6 5 2 4 0 4 Neighs: 6.28396e+06 ave 6.74378e+06 max 6.06345e+06 min Histogram: 3 5 9 8 7 3 0 0 0 1 Total # of neighbors = 226222727 Ave neighs/atom = 175.845 Neighbor list builds = 3564 Dangerous builds = 0 ###################### IMPACT RUN ################################################# # apply velocity to droplet group drop_move region drop_temp 0 atoms in group drop_move velocity drop_move set NULL -0.399 NULL sum yes units box dump_modify mydump every 500 run 440000 upto Memory usage per processor = 45.7623 Mbytes Step Temp Press PotEng KinEng TotEng Enthalpy E_pair Volume Pxx Pyy Pzz Pxy Pxz Pyz T_ave P_ave E_ave PE_ave t_total t_drop_e t_liq_eq t_vap_eq 130000 0.91558673 0.010422385 -4.7315289 1.373379 -3.3581499 -3.3249664 -4.7315289 4096000 0.011112308 0.013351397 0.0068034509 -0.0010550201 -0.00036052955 0.0021184049 0.91590128 0.012470564 -3.3581759 -4.7320268 0.91558673 0 0.91556036 0.91737558 130500 0.91555643 0.012154932 -4.7314838 1.3733336 -3.3581502 -3.3194505 -4.7314838 4096000 0.011491923 0.015876267 0.0090966052 2.9421867e-05 0.00043094278 0.0011064159 0.91585863 0.012402391 -3.3581691 -4.731956 0.91555643 0 0.91551888 0.91810441 131000 0.91575002 0.01107601 -4.7317716 1.373624 -3.3581476 -3.3228831 -4.7317716 4096000 0.0061535433 0.016997066 0.010077421 -0.0016959628 0.00058140745 0.00054177058 0.9158135 0.011796405 -3.3581617 -4.7318809 0.91575002 0 0.91571086 0.91837318 131500 0.91543931 0.013754197 -4.7313183 1.3731579 -3.3581604 -3.3143689 -4.7313183 4096000 0.011498634 0.019898754 0.0098652031 0.00037505559 -0.00014214054 -6.9699401e-05 0.91577447 0.011833461 -3.3581576 -4.7318183 0.91543931 0 0.91527233 0.92626128 132000 0.91549149 0.010046462 -4.7313907 1.3732362 -3.3581545 -3.3261679 -4.7313907 4096000 0.0072522475 0.015353056 0.0075340835 0.0019325306 0.0015897176 -0.00084506395 0.9155648 0.011490797 -3.3581525 -4.7314987 0.91549149 0 0.91544986 0.91829735 132500 0.91553846 0.011666756 -4.731473 1.3733066 -3.3581663 -3.3210209 -4.731473 4096000 0.011309455 0.015384547 0.0083062669 0.00042496405 0.00092319881 0.0016753603 0.91555514 0.011739671 -3.3581558 -4.7314875 0.91553846 0 0.91536813 0.92655002 133000 0.91598521 0.011368773 -4.7321454 1.3739768 -3.3581686 -3.321972 -4.7321454 4096000 0.0080580936 0.015989523 0.010058701 0.0012716533 0.001435052 -0.00069736559 0.9156409 0.01158244 -3.3581595 -4.7316198 0.91598521 0 0.91588142 0.9227794 133500 0.91519968 0.013126869 -4.7309802 1.3727984 -3.3581818 -3.3163876 -4.7309802 4096000 0.010487555 0.016648206 0.012244845 0.00029350412 -1.5178173e-05 0.0002159048 0.91553083 0.011992611 -3.3581663 -4.7314615 0.91519968 0 0.91503805 0.92571162 134000 0.91569547 0.013229012 -4.7317285 1.3735421 -3.3581864 -3.316067 -4.7317285 4096000 0.011874746 0.01669766 0.011114628 0.00069303848 -0.0013407782 0.00095267056 0.91558206 0.011887574 -3.3581715 -4.7315436 0.91569547 0 0.91568615 0.91636963 134500 0.91559548 0.011590729 -4.7315485 1.3733922 -3.3581564 -3.321253 -4.7315485 4096000 0.0090075683 0.015278107 0.010486512 -0.00077293145 0.0012034299 0.00054874271 0.91560286 0.012196428 -3.3581719 -4.7315751 0.91559548 0 0.91552469 0.92019526 135000 0.91494797 0.012141168 -4.7305781 1.3724209 -3.3581572 -3.3195013 -4.7305781 4096000 0.01076604 0.017426297 0.0082311671 -0.0026661254 0.0036158252 -0.0016663011 0.91548476 0.01229131 -3.3581701 -4.7313961 0.91494797 0 0.91495236 0.91470408 135500 0.91490892 0.01248693 -4.7305059 1.3723623 -3.3581435 -3.3183868 -4.7305059 4096000 0.0091328614 0.017386419 0.01094151 0.00072386918 4.6514556e-05 -0.00048099156 0.9152695 0.012514942 -3.358165 -4.7310682 0.91490892 0 0.91491686 0.91443585 136000 0.9153873 0.010531751 -4.731234 1.3730799 -3.3581541 -3.3246224 -4.731234 4096000 0.0064961738 0.017327659 0.0077714201 -0.00054705244 0.0010551832 -0.00065805265 0.91530703 0.011995918 -3.3581595 -4.731119 0.9153873 0 0.91535075 0.91781069 136500 0.91634938 0.011257688 -4.7326931 1.374523 -3.3581701 -3.3223272 -4.7326931 4096000 0.0073684753 0.016793838 0.0096107507 0.00015286829 0.00051383206 0.0013234952 0.91543781 0.011601653 -3.3581563 -4.7313119 0.91634938 0 0.91627739 0.92117561 137000 0.9154656 0.011511952 -4.7313595 1.3731973 -3.3581622 -3.3215096 -4.7313595 4096000 0.0081571601 0.015261692 0.011117003 0.00087700249 0.0012589773 -0.0014117079 0.91541183 0.011585898 -3.3581574 -4.7312741 0.9154656 0 0.91530542 0.92592666 137500 0.91525743 0.011457607 -4.7310501 1.3728851 -3.358165 -3.3216855 -4.7310501 4096000 0.0096095367 0.015532442 0.0092308418 -0.00061384375 -0.0013082368 -0.00019789256 0.91547373 0.011449186 -3.358159 -4.7313685 0.91525743 0 0.9150657 0.92790344 138000 0.91481898 0.013125369 -4.7303883 1.3722274 -3.3581609 -3.3163715 -4.7303883 4096000 0.013290561 0.017253628 0.0088319174 0.00019539722 -5.6281078e-05 1.0398856e-05 0.91545574 0.011576873 -3.3581624 -4.731345 0.91481898 0 0.91460046 0.92899585 138500 0.91614053 0.012310857 -4.7323775 1.3742097 -3.3581677 -3.3189716 -4.7323775 4096000 0.010145218 0.015598488 0.011188866 0.000814839 0.0011153456 -0.00048369602 0.91560638 0.011932694 -3.3581652 -4.7315737 0.91614053 0 0.91598096 0.92688785 139000 0.9158967 0.012742406 -4.732038 1.373844 -3.3581941 -3.3176239 -4.732038 4096000 0.010276652 0.014989548 0.012961018 0.0014168153 -0.00018891724 -0.00088489397 0.91551585 0.012229638 -3.35817 -4.7314427 0.9158967 0 0.91582846 0.92053628 139500 0.91579323 0.013394902 -4.7318604 1.3736888 -3.3581717 -3.3155241 -4.7318604 4096000 0.012698285 0.015572096 0.011914324 0.00064832394 0.0019747552 -0.0003408176 0.91558137 0.012606228 -3.3581719 -4.7315429 0.91579323 0 0.91563165 0.92648911 140000 0.91576049 0.013850667 -4.7318097 1.3736397 -3.3581701 -3.3140714 -4.7318097 4096000 0.012119809 0.017985639 0.011446552 0.0011793652 -0.0014147675 -0.00065940068 0.91568198 0.01308484 -3.3581729 -4.7316948 0.91576049 0 0.91566721 0.92212396 140500 0.91568059 0.0099272051 -4.731665 1.3735198 -3.3581452 -3.3265383 -4.731665 4096000 0.0077294446 0.015542102 0.0065100689 -0.00033857464 0.00078390004 0.0018796749 0.91585431 0.012445207 -3.3581697 -4.7319501 0.91568059 0 0.91544815 0.93123745 416000 0.91559549 0.011368743 -4.7315424 1.3733922 -3.3581502 -3.3219536 -4.7315424 4096000 0.0077284232 0.017823027 0.0085547797 -0.00017832141 0.0022834997 0.00061426922 0.91533674 0.012436842 -3.358149 -4.7311531 0.91559549 0 0.91558741 0.91618647 ######## abridged output here to reduce size of attachment to email ########### 416500 0.91509206 0.013977511 -4.7307851 1.372637 -3.3581481 -3.3136455 -4.7307851 4096000 0.013805703 0.017319263 0.010807567 -0.0019454201 2.5190169e-05 0.00011763959 0.91529469 0.012789181 -3.3581506 -4.7310916 0.91509206 0 0.91504903 0.9180295 417000 0.91458387 0.012496603 -4.7300033 1.3718747 -3.3581285 -3.318341 -4.7300033 4096000 0.011487934 0.016837224 0.0091646521 -4.4920513e-05 -0.00081363381 0.00069192443 0.91525459 0.012452504 -3.3581457 -4.7310266 0.91458387 0 0.91441892 0.92539739 417500 0.91521558 0.012138214 -4.7309626 1.3728223 -3.3581403 -3.3194938 -4.7309626 4096000 0.012088986 0.014083565 0.010242091 0.00036609379 -0.00090670085 0.00041431344 0.91519786 0.012446932 -3.358145 -4.7309407 0.91521558 0 0.91522083 0.91491156 418000 0.91495002 0.012222969 -4.7305752 1.372424 -3.3581512 -3.3192349 -4.7305752 4096000 0.0097305154 0.016245475 0.010692916 0.00073410968 4.4857814e-05 -0.00026360986 0.91508741 0.012440808 -3.3581437 -4.7307737 0.91495002 0 0.91489397 0.91868961 418500 0.91551285 0.011205519 -4.7314109 1.3732682 -3.3581427 -3.3224659 -4.7314109 4096000 0.0099509709 0.016179359 0.0074862274 0.0004374006 -0.0013111277 -0.0007216395 0.91507088 0.012408163 -3.3581422 -4.7307474 0.91551285 0 0.91536631 0.9252929 419000 0.91538927 0.012338822 -4.7312389 1.3730828 -3.358156 -3.3188709 -4.7312389 4096000 0.0092792627 0.015103064 0.012634141 0.00064401952 -0.0022554655 0.0020717497 0.91513032 0.012080426 -3.3581438 -4.7308382 0.91538927 0 0.91526164 0.92380786 419500 0.9153662 0.013398974 -4.7312115 1.3730482 -3.3581632 -3.3155027 -4.7312115 4096000 0.011779567 0.018895521 0.0095218326 -0.00066297868 0.00060771248 -0.0017244175 0.91528678 0.0122609 -3.3581507 -4.7310798 0.9153662 0 0.91519921 0.92629347 420000 0.91532213 0.012316512 -4.7311295 1.3729821 -3.3581474 -3.3189332 -4.7311295 4096000 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0.0067135104 0.017937444 0.0089758387 0.00012962632 -0.0010666068 -0.00056086091 0.9155064 0.011996773 -3.3581553 -4.7314139 0.91582588 0 0.9157039 0.92392316 422500 0.91582994 0.014022102 -4.7319199 1.3737438 -3.358176 -3.3135315 -4.7319199 4096000 0.010480912 0.016688186 0.014897209 0.0025901871 2.306771e-05 -0.0020073553 0.91560797 0.012337891 -3.3581611 -4.731572 0.91582994 0 0.91573586 0.92208209 423000 0.91546747 0.011506719 -4.7313674 1.3732001 -3.3581673 -3.3215315 -4.7313674 4096000 0.011130438 0.014465502 0.0089242169 0.00039293063 0.00093773667 7.4044445e-05 0.91557675 0.012190384 -3.3581652 -4.7315292 0.91546747 0 0.91531866 0.92517136 423500 0.91560588 0.010449512 -4.7315545 1.3734077 -3.3581467 -3.3248769 -4.7315545 4096000 0.008074616 0.013953942 0.0093199788 -0.00063232528 -0.00032087016 -0.0016921257 0.91555981 0.012011623 -3.3581619 -4.7315005 0.91560588 0 0.91558343 0.91714094 424000 0.91507735 0.012538678 -4.7307679 1.372615 -3.3581529 -3.3182314 -4.7307679 4096000 0.011590987 0.015501505 0.010523541 0.0011280098 -0.001498983 0.00050400291 0.9155613 0.011945188 -3.3581627 -4.7315036 0.91507735 0 0.91489152 0.92722647 424500 0.91454146 0.012372362 -4.7299393 1.3718111 -3.3581282 -3.3187362 -4.7299393 4096000 0.011744007 0.016404092 0.0089689873 -0.00015170857 -0.00027856868 -8.8425139e-05 0.91530442 0.012177875 -3.3581542 -4.7311098 0.91454146 0 0.91439734 0.92395035 425000 0.91472866 0.010865171 -4.7302213 1.3720919 -3.3581294 -3.3235361 -4.7302213 4096000 0.0080597733 0.013331884 0.011203855 -0.00029229149 -0.0026872133 0.00068410087 0.91508416 0.011546488 -3.3581449 -4.7307701 0.91472866 0 0.91465706 0.91955496 425500 0.91502637 0.011243165 -4.7306802 1.3725385 -3.3581417 -3.322345 -4.7306802 4096000 0.0081743548 0.014834613 0.010720527 0.00062573018 0.0011141086 -0.001549384 0.91499594 0.011493778 -3.3581398 -4.7306326 0.91502637 0 0.91481824 0.92897509 426000 0.91600293 0.010637006 -4.7321597 1.3740033 -3.3581564 -3.3242896 -4.7321597 4096000 0.010844872 0.013646073 0.0074200717 0.00051809286 0.0017320073 -0.0027822068 0.91507535 0.011531276 -3.3581417 -4.7307537 0.91600293 0 0.91582946 0.92750291 426500 0.91516403 0.014333546 -4.7309225 1.372745 -3.3581775 -3.3125414 -4.7309225 4096000 0.012376009 0.017934526 0.012690105 0.00064990534 -0.00038450767 0.00014828825 0.91509269 0.01189025 -3.3581466 -4.7307846 0.91516403 0 0.91490086 0.93220272 427000 0.91569568 0.013167429 -4.7317092 1.3735425 -3.3581667 -3.3162434 -4.7317092 4096000 0.010400824 0.018888843 0.010212621 3.2774711e-05 1.4766366e-05 -0.00222081 0.91532353 0.012049263 -3.3581543 -4.7311386 0.91569568 0 0.91546248 0.93085415 427500 0.91547368 0.012529843 -4.7313701 1.3732095 -3.3581607 -3.3182673 -4.7313701 4096000 0.010936836 0.015812202 0.01084049 0.00090087155 -0.00021336455 0.00097255532 0.91547254 0.012382198 -3.3581606 -4.7313684 0.91547368 0 0.91539675 0.92061394 428000 0.91499357 0.012136895 -4.7306182 1.3724893 -3.3581289 -3.3194866 -4.7306182 4096000 0.0096315332 0.016034289 0.010744865 -0.0028078364 0.0022292832 0.00080698187 0.91546598 0.012560944 -3.358158 -4.7313559 0.91499357 0 0.91488107 0.92254944 428500 0.91439393 0.013115476 -4.7297156 1.3715898 -3.3581258 -3.3163679 -4.7297156 4096000 0.011407168 0.016070643 0.011868616 0.00067206056 0.00091798471 0.002325716 0.91514418 0.013056638 -3.3581519 -4.7308671 0.91439393 0 0.91430057 0.92067319 429000 0.91573163 0.013688806 -4.7317635 1.3735964 -3.3581671 -3.3145838 -4.7317635 4096000 0.012062564 0.015653303 0.013350551 0.00080035947 0.0013386542 -0.00037607609 0.9152577 0.01292769 -3.3581498 -4.7310353 0.91573163 0 0.91563346 0.9223372 429500 0.91583339 0.012713521 -4.7319161 1.373749 -3.3581671 -3.3176889 -4.7319161 4096000 0.01317835 0.017538476 0.0074237383 -0.00040696152 0.001053979 -0.00052517893 0.91528524 0.012836908 -3.3581499 -4.7310767 0.91583339 0 0.91571639 0.9236428 430000 0.91585795 0.014094653 -4.7319677 1.3737859 -3.3581818 -3.3133063 -4.7319677 4096000 0.012614926 0.019341541 0.010327492 -0.0022935148 -0.0021345586 -0.001794998 0.91536209 0.01314987 -3.3581541 -4.7311962 0.91585795 0 0.9157177 0.92525641 430500 0.91582157 0.012045809 -4.7318902 1.3737313 -3.3581589 -3.3198067 -4.7318902 4096000 0.0091735886 0.016740406 0.010223432 0.00010636495 -0.00043841033 0.00028825795 0.91552769 0.013131653 -3.3581601 -4.7314506 0.91582157 0 0.91563728 0.92795396 431000 0.91508619 0.011473891 -4.7307671 1.3726282 -3.3581389 -3.3216076 -4.7307671 4096000 0.0073625507 0.016044243 0.01101488 0.00071125797 0.0022760107 -0.00085713881 0.91566615 0.012803336 -3.3581628 -4.7316609 0.91508619 0 0.91508804 0.91501043 431500 0.91410175 0.01211688 -4.7292721 1.3711516 -3.3581206 -3.319542 -4.7292721 4096000 0.0094330016 0.016464744 0.010452895 0.00093291419 -0.0023862172 0.0018868665 0.91534017 0.012488951 -3.3581535 -4.7311626 0.91410175 0 0.91410478 0.91394706 432000 0.9153507 0.010271736 -4.731151 1.373025 -3.358126 -3.3254221 -4.731151 4096000 0.010589264 0.013480765 0.0067451807 0.00030114791 0.00075001106 -0.0011708279 0.91524363 0.012000594 -3.3581452 -4.7310096 0.9153507 0 0.91523309 0.92308731 432500 0.91554257 0.011095606 -4.731461 1.3733128 -3.3581482 -3.3228213 -4.731461 4096000 0.0063697598 0.016556393 0.010360664 0.00033624733 -0.0016646894 -0.00084842569 0.91518056 0.011400784 -3.3581385 -4.7309083 0.91554257 0 0.91548384 0.91951767 433000 0.91506448 0.012120039 -4.7307316 1.3725957 -3.358136 -3.3195474 -4.7307316 4096000 0.01026635 0.01731052 0.0087832478 -0.00016485326 0.00011730915 -0.00016948588 0.91502914 0.011415631 -3.3581339 -4.7306766 0.91506448 0 0.91492417 0.92440888 433500 0.91514531 0.012386145 -4.7308786 1.3727169 -3.3581617 -3.3187258 -4.7308786 4096000 0.0088982366 0.019920226 0.0083399734 -0.00083194197 7.1621354e-05 -0.0013868125 0.91504096 0.011598081 -3.3581385 -4.7306989 0.91514531 0 0.91487088 0.93311908 434000 0.91575047 0.011876092 -4.7317813 1.3736246 -3.3581566 -3.3203447 -4.7317813 4096000 0.0095378797 0.016362758 0.0097276381 0.00027062001 -0.0016296903 -0.000580248 0.91537071 0.011549924 -3.3581457 -4.7312007 0.91575047 0 0.91556785 0.92780638 434500 0.91522867 0.011698324 -4.7309967 1.3728419 -3.3581548 -3.3209089 -4.7309967 4096000 0.0089264937 0.018563843 0.0076046358 -0.0017038394 0.0013035336 -0.00060770023 0.9153463 0.011835241 -3.3581515 -4.7311698 0.91522867 0 0.91516011 0.91981153 435000 0.91575788 0.013116831 -4.731807 1.3736358 -3.3581712 -3.316409 -4.731807 4096000 0.0091090001 0.019255471 0.010986021 -0.00093922044 0.0003379591 -7.5586654e-05 0.91538936 0.012239486 -3.3581561 -4.731239 0.91575788 0 0.91564744 0.92312551 435500 0.91569401 0.011024253 -4.7316882 1.3735399 -3.3581483 -3.3230485 -4.7316882 4096000 0.010575923 0.014984056 0.0075127783 -0.00057485893 0.00028788926 0.00067249364 0.91551527 0.012020329 -3.3581585 -4.7314303 0.91569401 0 0.91544286 0.93187436 436000 0.91527087 0.010862652 -4.7310412 1.3729052 -3.358136 -3.3235507 -4.7310412 4096000 0.007776016 0.016211809 0.0086001301 -0.0016433385 -0.00056187989 0.00072500499 0.91554038 0.01171563 -3.3581534 -4.7314629 0.91527087 0 0.91502858 0.93117855 436500 0.91543209 0.011771071 -4.7312983 1.3731471 -3.3581513 -3.3206738 -4.7312983 4096000 0.0096124103 0.016363803 0.0093369987 0.0030893164 0.0025045146 0.00054188118 0.9154767 0.011694626 -3.3581523 -4.7313663 0.91543209 0 0.91522929 0.92883117 437000 0.91481796 0.012828599 -4.7303652 1.3722259 -3.3581393 -3.3172948 -4.7303652 4096000 0.010523401 0.016459987 0.011502409 0.00165019 -0.0019600164 -0.00090855751 0.91539456 0.011920681 -3.3581492 -4.73124 0.91481796 0 0.91475703 0.91890286 437500 0.91540261 0.01225789 -4.7312484 1.3731028 -3.3581456 -3.3191181 -4.7312484 4096000 0.010354935 0.014689573 0.011729162 -0.0021633765 0.0013583051 0.00011026264 0.91532351 0.011748893 -3.3581441 -4.7311283 0.91540261 0 0.91526747 0.92426418 438000 0.9162761 0.011842321 -4.7325689 1.3744131 -3.3581558 -3.3204514 -4.7325689 4096000 0.011702842 0.017837689 0.0059864318 -0.003579399 0.0010439012 -0.0016754615 0.91543992 0.011912506 -3.3581456 -4.7313044 0.9162761 0 0.91610423 0.92737755 438500 0.91520285 0.013038461 -4.7309585 1.3728032 -3.3581553 -3.3166426 -4.7309585 4096000 0.011543016 0.017373277 0.01019909 -0.00026746872 0.00033824169 0.00077614272 0.91542632 0.012347668 -3.3581494 -4.7312879 0.91520285 0 0.91497346 0.92998991 439000 0.91618425 0.012729127 -4.7324561 1.3742753 -3.3581808 -3.3176529 -4.7324561 4096000 0.0098429169 0.018329721 0.010014742 -0.0010509184 0.00014550398 -0.00021972258 0.91557675 0.012539279 -3.3581553 -4.7315194 0.91618425 0 0.91610905 0.9211278 439500 0.91613116 0.012945256 -4.7323588 1.3741957 -3.3581632 -3.3169472 -4.7323588 4096000 0.011087888 0.016231522 0.011516358 -0.00012942437 0.0019110011 1.2117123e-05 0.91583939 0.012562611 -3.3581601 -4.7319181 0.91613116 0 0.91608613 0.91915347 440000 0.91572925 0.0099269055 -4.731725 1.3735928 -3.3581322 -3.3265262 -4.731725 4096000 0.0080108691 0.013105882 0.0086639655 -0.0024465431 -0.0012349644 -0.0011099098 0.91590472 0.012096414 -3.3581574 -4.7320135 0.91572925 0 0.91572602 0.91598994 Loop time of 599438 on 36 procs for 310000 steps with 1286486 atoms Pair time (%) = 372417 (62.1277) Neigh time (%) = 67871.2 (11.3225) Comm time (%) = 144671 (24.1344) Outpt time (%) = 5322.14 (0.887854) Other time (%) = 9157.42 (1.52767) Nlocal: 35735.7 ave 40137 max 35039 min Histogram: 15 17 3 0 0 0 0 0 0 1 Nghost: 35259.8 ave 37305 max 33742 min Histogram: 1 2 8 3 12 5 2 2 0 1 Neighs: 6.28304e+06 ave 6.89693e+06 max 6.14839e+06 min Histogram: 13 7 11 4 0 0 0 0 0 1 Total # of neighbors = 226189457 Ave neighs/atom = 175.82 Neighbor list builds = 27674 Dangerous builds = 0