From ea76dc99e9f2aceb8d0fdac448a8afabc1b4583b Mon Sep 17 00:00:00 2001 From: jtclemm Date: Fri, 4 Apr 2025 15:20:55 -0600 Subject: [PATCH] Adding damp coeff back in --- .../granular/log.4Feb25.tableting.200.g++.1 | 874 +++++++------- .../log.4Feb25.triaxial.compaction.12.g++.1 | 1035 +++++++++-------- src/GRANULAR/gran_sub_mod_damping.cpp | 2 + src/GRANULAR/gran_sub_mod_normal.cpp | 6 +- 4 files changed, 959 insertions(+), 958 deletions(-) diff --git a/examples/granular/log.4Feb25.tableting.200.g++.1 b/examples/granular/log.4Feb25.tableting.200.g++.1 index df6428ff1a..818198ccd7 100644 --- a/examples/granular/log.4Feb25.tableting.200.g++.1 +++ b/examples/granular/log.4Feb25.tableting.200.g++.1 @@ -1,4 +1,4 @@ -LAMMPS (4 Feb 2025 - Development - patch_4Feb2025-581-g384d7f446b-modified) +LAMMPS (4 Feb 2025 - Development - patch_4Feb2025-583-g3d4b57d7fd-modified) ##################################### SIMULATION SETTINGS ################################################### atom_style sphere 1 @@ -20,7 +20,7 @@ Reading data file ... 1 by 1 by 1 MPI processor grid reading atoms ... 200 atoms - read_data CPU = 0.004 seconds + read_data CPU = 0.003 seconds #################################### ADD DIE AND ATOM PARAMETERIZATION ###################################### @@ -195,9 +195,9 @@ Neighbor list info ... Per MPI rank memory allocation (min/avg/max) = 72.3 | 72.3 | 72.3 Mbytes Dt Step Atoms KinEng Volume v_disp_upper 4e-06 0 200 0 2.1e-06 0 -Loop time of 8.51e-07 on 1 procs for 0 steps with 200 atoms +Loop time of 7.84e-07 on 1 procs for 0 steps with 200 atoms -117.5% CPU use with 1 MPI tasks x no OpenMP threads +127.6% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total @@ -207,7 +207,7 @@ Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 -Other | | 8.51e-07 | | |100.00 +Other | | 7.84e-07 | | |100.00 Nlocal: 200 ave 200 max 200 min Histogram: 1 0 0 0 0 0 0 0 0 0 @@ -263,78 +263,78 @@ Per MPI rank memory allocation (min/avg/max) = 72.3 | 72.3 | 72.3 Mbytes Dt Step Atoms KinEng Volume v_disp_upper 4e-06 0 200 0 2.1e-06 0 4e-06 100 200 1.5945503e-09 2.1e-06 0 - 4e-06 200 200 6.3770738e-09 2.1e-06 0 - 4e-06 300 200 1.4245359e-08 2.1e-06 0 - 4e-06 400 200 2.5260505e-08 2.1e-06 0 - 4e-06 500 200 3.9464751e-08 2.1e-06 0 - 4e-06 600 200 5.6858098e-08 2.1e-06 0 - 4e-06 700 200 7.7385952e-08 2.1e-06 0 - 4e-06 800 198 1.0059548e-07 2.1e-06 0 - 4e-06 900 196 1.2599473e-07 2.1e-06 0 - 4e-06 1000 194 1.5428578e-07 2.1e-06 0 - 4e-06 1100 194 1.8644695e-07 2.1e-06 0 - 4e-06 1200 192 2.2088698e-07 2.1e-06 0 - 4e-06 1300 192 2.5897366e-07 2.1e-06 0 - 4e-06 1400 192 3.0013683e-07 2.1e-06 0 - 4e-06 1500 192 3.4277758e-07 2.1e-06 0 - 4e-06 1600 192 3.9077177e-07 2.1e-06 0 - 4e-06 1700 192 4.3898925e-07 2.1e-06 0 - 4e-06 1800 186 4.736674e-07 2.1e-06 0 - 4e-06 1900 184 5.2110858e-07 2.1e-06 0 - 4e-06 2000 184 5.7848899e-07 2.1e-06 0 - 4e-06 2100 184 6.3492469e-07 2.1e-06 0 - 4e-06 2200 184 6.9441989e-07 2.1e-06 0 - 4e-06 2300 182 inf 2.1e-06 0 - 4e-06 2400 176 7.9307687e-07 2.1e-06 0 - 4e-06 2500 176 8.599965e-07 2.1e-06 0 - 4e-06 2600 176 9.2970927e-07 2.1e-06 0 - 4e-06 2700 176 1.0022152e-06 2.1e-06 0 - 4e-06 2800 176 inf 2.1e-06 0 - 4e-06 2900 174 1.1458142e-06 2.1e-06 0 - 4e-06 3000 172 1.2159972e-06 2.1e-06 0 - 4e-06 3100 172 inf 2.1e-06 0 - 4e-06 3200 170 1.3640273e-06 2.1e-06 0 - 4e-06 3300 164 1.4023496e-06 2.1e-06 0 - 4e-06 3400 164 1.4878891e-06 2.1e-06 0 - 4e-06 3500 164 1.5760184e-06 2.1e-06 0 - 4e-06 3600 164 1.6667377e-06 2.1e-06 0 - 4e-06 3700 162 1.7486967e-06 2.1e-06 0 - 4e-06 3800 160 1.8165262e-06 2.1e-06 0 - 4e-06 3900 158 1.8886488e-06 2.1e-06 0 - 4e-06 4000 158 1.9853138e-06 2.1e-06 0 - 4e-06 4100 158 inf 2.1e-06 0 - 4e-06 4200 156 2.1616605e-06 2.1e-06 0 - 4e-06 4300 156 2.2655984e-06 2.1e-06 0 - 4e-06 4400 156 inf 2.1e-06 0 - 4e-06 4500 152 2.4161761e-06 2.1e-06 0 - 4e-06 4600 152 2.497822e-06 2.1e-06 0 - 4e-06 4700 150 2.6001287e-06 2.1e-06 0 - 4e-06 4800 148 inf 2.1e-06 0 - 4e-06 4900 146 inf 2.1e-06 0 - 4e-06 5000 140 2.7812394e-06 2.1e-06 0 -Loop time of 0.432192 on 1 procs for 5000 steps with 140 atoms + 4e-06 200 200 6.3722236e-09 2.1e-06 0 + 4e-06 300 200 1.4211064e-08 2.1e-06 0 + 4e-06 400 200 2.5258679e-08 2.1e-06 0 + 4e-06 500 200 3.9464769e-08 2.1e-06 0 + 4e-06 600 200 5.6825967e-08 2.1e-06 0 + 4e-06 700 200 7.7344469e-08 2.1e-06 0 + 4e-06 800 200 1.0060974e-07 2.1e-06 0 + 4e-06 900 200 1.2653591e-07 2.1e-06 0 + 4e-06 1000 200 1.5569212e-07 2.1e-06 0 + 4e-06 1100 200 1.8742647e-07 2.1e-06 0 + 4e-06 1200 200 2.215525e-07 2.1e-06 0 + 4e-06 1300 200 2.5959327e-07 2.1e-06 0 + 4e-06 1400 200 3.010369e-07 2.1e-06 0 + 4e-06 1500 200 3.4166871e-07 2.1e-06 0 + 4e-06 1600 200 3.8173997e-07 2.1e-06 0 + 4e-06 1700 200 4.2263596e-07 2.1e-06 0 + 4e-06 1800 200 4.6542919e-07 2.1e-06 0 + 4e-06 1900 200 5.1316032e-07 2.1e-06 0 + 4e-06 2000 200 5.6390086e-07 2.1e-06 0 + 4e-06 2100 200 6.1282692e-07 2.1e-06 0 + 4e-06 2200 200 6.6871978e-07 2.1e-06 0 + 4e-06 2300 200 7.2432957e-07 2.1e-06 0 + 4e-06 2400 200 7.7356329e-07 2.1e-06 0 + 4e-06 2500 200 8.3121212e-07 2.1e-06 0 + 4e-06 2600 200 8.9285402e-07 2.1e-06 0 + 4e-06 2700 200 9.5056709e-07 2.1e-06 0 + 4e-06 2800 200 1.0078859e-06 2.1e-06 0 + 4e-06 2900 200 1.0583726e-06 2.1e-06 0 + 4e-06 3000 200 1.1128777e-06 2.1e-06 0 + 4e-06 3100 200 1.149994e-06 2.1e-06 0 + 4e-06 3200 200 1.2038821e-06 2.1e-06 0 + 4e-06 3300 200 1.2266858e-06 2.1e-06 0 + 4e-06 3400 200 1.2785607e-06 2.1e-06 0 + 4e-06 3500 200 1.3382357e-06 2.1e-06 0 + 4e-06 3600 200 1.3864259e-06 2.1e-06 0 + 4e-06 3700 200 1.4382735e-06 2.1e-06 0 + 4e-06 3800 200 1.4261443e-06 2.1e-06 0 + 4e-06 3900 200 1.4409345e-06 2.1e-06 0 + 4e-06 4000 200 1.4794449e-06 2.1e-06 0 + 4e-06 4100 200 1.4696815e-06 2.1e-06 0 + 4e-06 4200 200 1.4980192e-06 2.1e-06 0 + 4e-06 4300 200 1.5093101e-06 2.1e-06 0 + 4e-06 4400 200 1.527165e-06 2.1e-06 0 + 4e-06 4500 200 1.5514338e-06 2.1e-06 0 + 4e-06 4600 200 1.5939536e-06 2.1e-06 0 + 4e-06 4700 200 1.6017087e-06 2.1e-06 0 + 4e-06 4800 200 1.5835827e-06 2.1e-06 0 + 4e-06 4900 200 1.5646707e-06 2.1e-06 0 + 4e-06 5000 200 1.5869167e-06 2.1e-06 0 +Loop time of 0.894952 on 1 procs for 5000 steps with 200 atoms 99.7% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- -Pair | 0.10597 | 0.10597 | 0.10597 | 0.0 | 24.52 -Neigh | 0.011871 | 0.011871 | 0.011871 | 0.0 | 2.75 -Comm | 0.00034652 | 0.00034652 | 0.00034652 | 0.0 | 0.08 -Output | 0.00027596 | 0.00027596 | 0.00027596 | 0.0 | 0.06 -Modify | 0.31284 | 0.31284 | 0.31284 | 0.0 | 72.39 -Other | | 0.0008893 | | | 0.21 +Pair | 0.33414 | 0.33414 | 0.33414 | 0.0 | 37.34 +Neigh | 0.013978 | 0.013978 | 0.013978 | 0.0 | 1.56 +Comm | 0.00055911 | 0.00055911 | 0.00055911 | 0.0 | 0.06 +Output | 0.00042257 | 0.00042257 | 0.00042257 | 0.0 | 0.05 +Modify | 0.54341 | 0.54341 | 0.54341 | 0.0 | 60.72 +Other | | 0.002439 | | | 0.27 -Nlocal: 140 ave 140 max 140 min +Nlocal: 200 ave 200 max 200 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: 865 ave 865 max 865 min +Neighs: 1663 ave 1663 max 1663 min Histogram: 1 0 0 0 0 0 0 0 0 0 -Total # of neighbors = 865 -Ave neighs/atom = 6.1785714 +Total # of neighbors = 1663 +Ave neighs/atom = 8.315 Neighbor list builds = 83 Dangerous builds not checked @@ -352,170 +352,170 @@ run 14000 Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule Per MPI rank memory allocation (min/avg/max) = 72.3 | 72.3 | 72.3 Mbytes Dt Step Atoms KinEng Volume v_disp_upper - 4e-06 5000 140 2.7812394e-06 2.1e-06 0 - 4e-06 5100 140 2.8895541e-06 2.1e-06 -0.00015706645 - 4e-06 5200 136 2.9030642e-06 2.1e-06 -0.00031405381 - 4e-06 5300 134 2.9801402e-06 2.1e-06 -0.00047088304 - 4e-06 5400 134 inf 2.1e-06 -0.00062747516 - 4e-06 5500 130 3.1361708e-06 2.1e-06 -0.00078375133 - 4e-06 5600 130 3.224988e-06 2.1e-06 -0.00093963286 - 4e-06 5700 128 3.2981553e-06 2.1e-06 -0.0010950413 - 4e-06 5800 126 3.3346425e-06 2.1e-06 -0.0012498983 - 4e-06 5900 126 3.4495324e-06 2.1e-06 -0.0014041259 - 4e-06 6000 124 3.4436288e-06 2.1e-06 -0.0015576465 - 4e-06 6100 122 3.5108806e-06 2.1e-06 -0.0017103828 - 4e-06 6200 118 3.4808187e-06 2.1e-06 -0.0018622579 - 4e-06 6300 116 3.5520892e-06 2.1e-06 -0.0020131953 - 4e-06 6400 116 3.6651266e-06 2.1e-06 -0.002163119 - 4e-06 6500 116 3.7768528e-06 2.1e-06 -0.0023119534 - 4e-06 6600 114 3.8296982e-06 2.1e-06 -0.0024596238 - 4e-06 6700 110 3.8220731e-06 2.1e-06 -0.0026060556 - 4e-06 6800 108 3.8409573e-06 2.1e-06 -0.0027511752 - 4e-06 6900 108 inf 2.1e-06 -0.0028949095 - 4e-06 7000 104 3.9206342e-06 2.1e-06 -0.0030371862 - 4e-06 7100 102 3.9647246e-06 2.1e-06 -0.0031779335 - 4e-06 7200 102 inf 2.1e-06 -0.0033170806 - 4e-06 7300 98 3.9766723e-06 2.1e-06 -0.0034545575 - 4e-06 7400 90 3.7821936e-06 2.1e-06 -0.0035902949 - 4e-06 7500 90 inf 2.1e-06 -0.0037242245 - 4e-06 7600 86 3.8144737e-06 2.1e-06 -0.0038562789 - 4e-06 7700 84 3.7897749e-06 2.1e-06 -0.0039863915 - 4e-06 7800 82 3.8008682e-06 2.1e-06 -0.0041144968 - 4e-06 7900 80 3.791409e-06 2.1e-06 -0.0042405303 - 4e-06 8000 76 3.7336309e-06 2.1e-06 -0.0043644286 - 4e-06 8100 76 inf 2.1e-06 -0.0044861293 - 4e-06 8200 72 3.7708462e-06 2.1e-06 -0.0046055711 - 4e-06 8300 72 3.8690393e-06 2.1e-06 -0.0047226938 - 4e-06 8400 68 inf 2.1e-06 -0.0048374385 - 4e-06 8500 64 3.6623177e-06 2.1e-06 -0.0049497475 - 4e-06 8600 62 3.6134274e-06 2.1e-06 -0.005059564 - 4e-06 8700 62 3.6965363e-06 2.1e-06 -0.005166833 - 4e-06 8800 60 3.5674683e-06 2.1e-06 -0.0052715003 - 4e-06 8900 54 3.3423076e-06 2.1e-06 -0.0053735132 - 4e-06 9000 50 3.1486697e-06 2.1e-06 -0.0054728204 - 4e-06 9100 48 3.0716142e-06 2.1e-06 -0.0055693718 - 4e-06 9200 46 2.9984533e-06 2.1e-06 -0.005663119 - 4e-06 9300 46 inf 2.1e-06 -0.0057540145 - 4e-06 9400 34 inf 2.1e-06 -0.0058420128 - 4e-06 9500 32 2.4147256e-06 2.1e-06 -0.0059270694 - 4e-06 9600 32 inf 2.1e-06 -0.0060091416 - 4e-06 9700 26 inf 2.1e-06 -0.0060881879 - 4e-06 9800 20 1.5991947e-06 2.1e-06 -0.0061641687 - 4e-06 9900 20 inf 2.1e-06 -0.0062370457 - 4e-06 10000 16 1.3327917e-06 2.1e-06 -0.0063067821 - 4e-06 10100 10 8.8157027e-07 2.1e-06 -0.0063733428 - 4e-06 10200 10 8.9614642e-07 2.1e-06 -0.0064366944 - 4e-06 10300 10 8.9775988e-07 2.1e-06 -0.0064968049 - 4e-06 10400 10 9.0812889e-07 2.1e-06 -0.0065536441 - 4e-06 10500 10 9.003094e-07 2.1e-06 -0.0066071833 - 4e-06 10600 10 8.8275797e-07 2.1e-06 -0.0066573956 - 4e-06 10700 10 8.6537937e-07 2.1e-06 -0.0067042557 - 4e-06 10800 10 8.4817361e-07 2.1e-06 -0.00674774 - 4e-06 10900 10 8.311407e-07 2.1e-06 -0.0067878266 - 4e-06 11000 10 8.1428062e-07 2.1e-06 -0.0068244954 - 4e-06 11100 10 7.9759338e-07 2.1e-06 -0.0068577278 - 4e-06 11200 10 7.8107899e-07 2.1e-06 -0.0068875071 - 4e-06 11300 10 7.6473743e-07 2.1e-06 -0.0069138184 - 4e-06 11400 10 7.4856871e-07 2.1e-06 -0.0069366483 - 4e-06 11500 10 6.5214996e-07 2.1e-06 -0.0069559855 - 4e-06 11600 10 8.9415748e-07 2.1e-06 -0.0069718201 - 4e-06 11700 10 8.718476e-07 2.1e-06 -0.0069841441 - 4e-06 11800 10 1.0390866e-06 2.1e-06 -0.0069929515 - 4e-06 11900 10 1.058099e-06 2.1e-06 -0.0069982376 - 4e-06 12000 10 1.0772841e-06 2.1e-06 -0.007 - 4e-06 12100 10 1.0966421e-06 2.1e-06 -0.0069982376 - 4e-06 12200 10 1.116173e-06 2.1e-06 -0.0069929515 - 4e-06 12300 10 1.1358767e-06 2.1e-06 -0.0069841441 - 4e-06 12400 10 1.1557532e-06 2.1e-06 -0.0069718201 - 4e-06 12500 10 1.1709163e-06 2.1e-06 -0.0069559855 - 4e-06 12600 10 1.1781568e-06 2.1e-06 -0.0069366483 - 4e-06 12700 10 1.1814023e-06 2.1e-06 -0.0069138184 - 4e-06 12800 10 1.182238e-06 2.1e-06 -0.0068875071 - 4e-06 12900 10 1.1321834e-06 2.1e-06 -0.0068577278 - 4e-06 13000 10 1.1602658e-06 2.1e-06 -0.0068244954 - 4e-06 13100 10 1.1403281e-06 2.1e-06 -0.0067878266 - 4e-06 13200 10 1.1205632e-06 2.1e-06 -0.00674774 - 4e-06 13300 10 1.1009712e-06 2.1e-06 -0.0067042557 - 4e-06 13400 10 1.081552e-06 2.1e-06 -0.0066573956 - 4e-06 13500 10 1.0623057e-06 2.1e-06 -0.0066071833 - 4e-06 13600 10 9.7690472e-07 2.1e-06 -0.0065536441 - 4e-06 13700 10 8.7554649e-07 2.1e-06 -0.0064968049 - 4e-06 13800 10 8.6114161e-07 2.1e-06 -0.0064366944 - 4e-06 13900 10 7.2229969e-07 2.1e-06 -0.0063733428 - 4e-06 14000 10 6.0299298e-07 2.1e-06 -0.0063067821 - 4e-06 14100 10 5.9691906e-07 2.1e-06 -0.0062370457 - 4e-06 14200 10 5.8877052e-07 2.1e-06 -0.0061641687 - 4e-06 14300 10 5.8079481e-07 2.1e-06 -0.0060881879 - 4e-06 14400 10 5.0821182e-07 2.1e-06 -0.0060091416 - 4e-06 14500 10 4.5974587e-07 2.1e-06 -0.0059270694 - 4e-06 14600 10 4.5438391e-07 2.1e-06 -0.0058420128 - 4e-06 14700 10 4.4919479e-07 2.1e-06 -0.0057540145 - 4e-06 14800 10 3.6176002e-07 2.1e-06 -0.005663119 - 4e-06 14900 10 3.5835307e-07 2.1e-06 -0.0055693718 - 4e-06 15000 10 3.5511897e-07 2.1e-06 -0.0054728204 - 4e-06 15100 10 3.5205771e-07 2.1e-06 -0.0053735132 - 4e-06 15200 10 2.4180157e-07 2.1e-06 -0.0052715003 - 4e-06 15300 10 1.9792566e-07 2.1e-06 -0.005166833 - 4e-06 15400 10 1.9768384e-07 2.1e-06 -0.005059564 - 4e-06 15500 10 1.6550345e-07 2.1e-06 -0.0049497475 - 4e-06 15600 10 1.6608824e-07 2.1e-06 -0.0048374385 - 4e-06 15700 10 1.4780766e-07 2.1e-06 -0.0047226938 - 4e-06 15800 10 1.4899916e-07 2.1e-06 -0.0046055711 - 4e-06 15900 10 1.503635e-07 2.1e-06 -0.0044861293 - 4e-06 16000 10 1.5190069e-07 2.1e-06 -0.0043644286 - 4e-06 16100 10 1.5361071e-07 2.1e-06 -0.0042405303 - 4e-06 16200 10 1.5373505e-07 2.1e-06 -0.0041144968 - 4e-06 16300 10 1.5202036e-07 2.1e-06 -0.0039863915 - 4e-06 16400 10 1.5047851e-07 2.1e-06 -0.0038562789 - 4e-06 16500 10 1.491095e-07 2.1e-06 -0.0037242245 - 4e-06 16600 10 1.4791333e-07 2.1e-06 -0.0035902949 - 4e-06 16700 10 1.4689e-07 2.1e-06 -0.0034545575 - 4e-06 16800 10 1.460395e-07 2.1e-06 -0.0033170806 - 4e-06 16900 10 1.4536185e-07 2.1e-06 -0.0031779335 - 4e-06 17000 10 1.4485704e-07 2.1e-06 -0.0030371862 - 4e-06 17100 10 1.4452507e-07 2.1e-06 -0.0028949095 - 4e-06 17200 10 1.4436594e-07 2.1e-06 -0.0027511752 - 4e-06 17300 10 1.4297672e-07 2.1e-06 -0.0026060556 - 4e-06 17400 10 1.4034469e-07 2.1e-06 -0.0024596238 - 4e-06 17500 10 1.378855e-07 2.1e-06 -0.0023119534 - 4e-06 17600 10 1.3559914e-07 2.1e-06 -0.002163119 - 4e-06 17700 10 1.3348563e-07 2.1e-06 -0.0020131953 - 4e-06 17800 10 1.3154496e-07 2.1e-06 -0.0018622579 - 4e-06 17900 10 1.2977712e-07 2.1e-06 -0.0017103828 - 4e-06 18000 10 1.2659132e-07 2.1e-06 -0.0015576465 - 4e-06 18100 10 1.241758e-07 2.1e-06 -0.0014041259 - 4e-06 18200 10 1.2060433e-07 2.1e-06 -0.0012498983 - 4e-06 18300 10 1.172057e-07 2.1e-06 -0.0010950413 - 4e-06 18400 10 1.1397991e-07 2.1e-06 -0.00093963286 - 4e-06 18500 10 1.1092695e-07 2.1e-06 -0.00078375133 - 4e-06 18600 10 1.0804684e-07 2.1e-06 -0.00062747516 - 4e-06 18700 10 1.0533957e-07 2.1e-06 -0.00047088304 - 4e-06 18800 10 1.0280514e-07 2.1e-06 -0.00031405381 - 4e-06 18900 10 1.0044354e-07 2.1e-06 -0.00015706645 - 4e-06 19000 10 9.8254791e-08 2.1e-06 2.0903119e-17 -Loop time of 0.287179 on 1 procs for 14000 steps with 10 atoms + 4e-06 5000 200 1.5869167e-06 2.1e-06 0 + 4e-06 5100 200 1.533415e-06 2.1e-06 -0.00015706645 + 4e-06 5200 200 1.5210118e-06 2.1e-06 -0.00031405381 + 4e-06 5300 200 1.4717654e-06 2.1e-06 -0.00047088304 + 4e-06 5400 200 1.3867583e-06 2.1e-06 -0.00062747516 + 4e-06 5500 200 1.3210172e-06 2.1e-06 -0.00078375133 + 4e-06 5600 200 1.2694854e-06 2.1e-06 -0.00093963286 + 4e-06 5700 200 1.210939e-06 2.1e-06 -0.0010950413 + 4e-06 5800 200 1.1030246e-06 2.1e-06 -0.0012498983 + 4e-06 5900 200 1.0576145e-06 2.1e-06 -0.0014041259 + 4e-06 6000 200 9.6819458e-07 2.1e-06 -0.0015576465 + 4e-06 6100 200 8.4390663e-07 2.1e-06 -0.0017103828 + 4e-06 6200 200 7.1811878e-07 2.1e-06 -0.0018622579 + 4e-06 6300 200 5.9188275e-07 2.1e-06 -0.0020131953 + 4e-06 6400 200 4.8593994e-07 2.1e-06 -0.002163119 + 4e-06 6500 200 3.7604444e-07 2.1e-06 -0.0023119534 + 4e-06 6600 200 2.9315224e-07 2.1e-06 -0.0024596238 + 4e-06 6700 200 2.4346404e-07 2.1e-06 -0.0026060556 + 4e-06 6800 200 2.1035347e-07 2.1e-06 -0.0027511752 + 4e-06 6900 200 1.7982462e-07 2.1e-06 -0.0028949095 + 4e-06 7000 200 3.3817811e-07 2.1e-06 -0.0030371862 + 4e-06 7100 200 5.4229142e-07 2.1e-06 -0.0031779335 + 4e-06 7200 200 9.8011974e-07 2.1e-06 -0.0033170806 + 4e-06 7300 200 1.4073827e-06 2.1e-06 -0.0034545575 + 4e-06 7400 200 1.8007974e-06 2.1e-06 -0.0035902949 + 4e-06 7500 200 2.5690983e-06 2.1e-06 -0.0037242245 + 4e-06 7600 200 3.3504605e-06 2.1e-06 -0.0038562789 + 4e-06 7700 200 3.3047732e-06 2.1e-06 -0.0039863915 + 4e-06 7800 200 2.7409232e-06 2.1e-06 -0.0041144968 + 4e-06 7900 200 2.7731736e-06 2.1e-06 -0.0042405303 + 4e-06 8000 200 2.7721382e-06 2.1e-06 -0.0043644286 + 4e-06 8100 200 2.5449128e-06 2.1e-06 -0.0044861293 + 4e-06 8200 200 2.4113011e-06 2.1e-06 -0.0046055711 + 4e-06 8300 200 2.5104553e-06 2.1e-06 -0.0047226938 + 4e-06 8400 200 2.7969453e-06 2.1e-06 -0.0048374385 + 4e-06 8500 200 2.4549778e-06 2.1e-06 -0.0049497475 + 4e-06 8600 200 2.6065634e-06 2.1e-06 -0.005059564 + 4e-06 8700 200 1.94773e-06 2.1e-06 -0.005166833 + 4e-06 8800 200 1.8669003e-06 2.1e-06 -0.0052715003 + 4e-06 8900 200 1.7712516e-06 2.1e-06 -0.0053735132 + 4e-06 9000 200 1.5868574e-06 2.1e-06 -0.0054728204 + 4e-06 9100 200 1.2586882e-06 2.1e-06 -0.0055693718 + 4e-06 9200 200 1.7392355e-06 2.1e-06 -0.005663119 + 4e-06 9300 200 1.4103062e-06 2.1e-06 -0.0057540145 + 4e-06 9400 200 1.6133909e-06 2.1e-06 -0.0058420128 + 4e-06 9500 200 1.5715429e-06 2.1e-06 -0.0059270694 + 4e-06 9600 200 1.3060432e-06 2.1e-06 -0.0060091416 + 4e-06 9700 200 1.3016643e-06 2.1e-06 -0.0060881879 + 4e-06 9800 200 1.3827359e-06 2.1e-06 -0.0061641687 + 4e-06 9900 200 1.166866e-06 2.1e-06 -0.0062370457 + 4e-06 10000 200 1.1328931e-06 2.1e-06 -0.0063067821 + 4e-06 10100 200 1.0811811e-06 2.1e-06 -0.0063733428 + 4e-06 10200 200 1.0540805e-06 2.1e-06 -0.0064366944 + 4e-06 10300 200 9.3224876e-07 2.1e-06 -0.0064968049 + 4e-06 10400 200 8.8422228e-07 2.1e-06 -0.0065536441 + 4e-06 10500 200 9.6574449e-07 2.1e-06 -0.0066071833 + 4e-06 10600 200 6.5673924e-07 2.1e-06 -0.0066573956 + 4e-06 10700 200 5.7629287e-07 2.1e-06 -0.0067042557 + 4e-06 10800 200 5.1184648e-07 2.1e-06 -0.00674774 + 4e-06 10900 200 4.2140431e-07 2.1e-06 -0.0067878266 + 4e-06 11000 200 3.679501e-07 2.1e-06 -0.0068244954 + 4e-06 11100 200 2.7198635e-07 2.1e-06 -0.0068577278 + 4e-06 11200 200 3.9270049e-07 2.1e-06 -0.0068875071 + 4e-06 11300 200 2.5364345e-07 2.1e-06 -0.0069138184 + 4e-06 11400 200 2.311875e-07 2.1e-06 -0.0069366483 + 4e-06 11500 200 9.1194666e-08 2.1e-06 -0.0069559855 + 4e-06 11600 200 5.9128951e-08 2.1e-06 -0.0069718201 + 4e-06 11700 200 3.8675445e-08 2.1e-06 -0.0069841441 + 4e-06 11800 200 1.5261639e-08 2.1e-06 -0.0069929515 + 4e-06 11900 200 4.1435674e-09 2.1e-06 -0.0069982376 + 4e-06 12000 200 3.6182887e-10 2.1e-06 -0.007 + 4e-06 12100 200 3.4148153e-09 2.1e-06 -0.0069982376 + 4e-06 12200 200 1.201855e-08 2.1e-06 -0.0069929515 + 4e-06 12300 200 2.7088001e-08 2.1e-06 -0.0069841441 + 4e-06 12400 200 4.7261349e-08 2.1e-06 -0.0069718201 + 4e-06 12500 200 7.585591e-08 2.1e-06 -0.0069559855 + 4e-06 12600 200 1.0717843e-07 2.1e-06 -0.0069366483 + 4e-06 12700 200 1.4357347e-07 2.1e-06 -0.0069138184 + 4e-06 12800 200 2.3364223e-07 2.1e-06 -0.0068875071 + 4e-06 12900 200 2.6460705e-07 2.1e-06 -0.0068577278 + 4e-06 13000 200 3.0878617e-07 2.1e-06 -0.0068244954 + 4e-06 13100 200 4.0950412e-07 2.1e-06 -0.0067878266 + 4e-06 13200 200 5.4382238e-07 2.1e-06 -0.00674774 + 4e-06 13300 200 5.9323976e-07 2.1e-06 -0.0067042557 + 4e-06 13400 200 6.0024632e-07 2.1e-06 -0.0066573956 + 4e-06 13500 200 8.9144808e-07 2.1e-06 -0.0066071833 + 4e-06 13600 200 7.4298898e-07 2.1e-06 -0.0065536441 + 4e-06 13700 200 7.5476346e-07 2.1e-06 -0.0064968049 + 4e-06 13800 200 9.4480881e-07 2.1e-06 -0.0064366944 + 4e-06 13900 200 6.9480641e-07 2.1e-06 -0.0063733428 + 4e-06 14000 200 3.6996473e-07 2.1e-06 -0.0063067821 + 4e-06 14100 200 3.7522265e-07 2.1e-06 -0.0062370457 + 4e-06 14200 200 9.5971189e-07 2.1e-06 -0.0061641687 + 4e-06 14300 200 6.3482043e-07 2.1e-06 -0.0060881879 + 4e-06 14400 200 4.4208165e-08 2.1e-06 -0.0060091416 + 4e-06 14500 200 2.5451697e-09 2.1e-06 -0.0059270694 + 4e-06 14600 200 2.3358938e-10 2.1e-06 -0.0058420128 + 4e-06 14700 200 6.5542266e-10 2.1e-06 -0.0057540145 + 4e-06 14800 200 5.7442167e-10 2.1e-06 -0.005663119 + 4e-06 14900 200 1.8498409e-10 2.1e-06 -0.0055693718 + 4e-06 15000 200 8.9754087e-12 2.1e-06 -0.0054728204 + 4e-06 15100 200 1.5735217e-10 2.1e-06 -0.0053735132 + 4e-06 15200 200 2.0644095e-11 2.1e-06 -0.0052715003 + 4e-06 15300 200 3.1810324e-12 2.1e-06 -0.005166833 + 4e-06 15400 200 9.2248411e-13 2.1e-06 -0.005059564 + 4e-06 15500 200 1.049892e-12 2.1e-06 -0.0049497475 + 4e-06 15600 200 5.1537473e-13 2.1e-06 -0.0048374385 + 4e-06 15700 200 8.0874962e-14 2.1e-06 -0.0047226938 + 4e-06 15800 200 1.9259517e-14 2.1e-06 -0.0046055711 + 4e-06 15900 200 6.1677187e-14 2.1e-06 -0.0044861293 + 4e-06 16000 200 4.0175545e-14 2.1e-06 -0.0043644286 + 4e-06 16100 200 2.8906156e-14 2.1e-06 -0.0042405303 + 4e-06 16200 200 1.4689406e-14 2.1e-06 -0.0041144968 + 4e-06 16300 200 1.4816055e-14 2.1e-06 -0.0039863915 + 4e-06 16400 200 1.8585236e-14 2.1e-06 -0.0038562789 + 4e-06 16500 200 1.485896e-14 2.1e-06 -0.0037242245 + 4e-06 16600 200 1.5799533e-14 2.1e-06 -0.0035902949 + 4e-06 16700 200 1.5241276e-14 2.1e-06 -0.0034545575 + 4e-06 16800 200 1.1272606e-14 2.1e-06 -0.0033170806 + 4e-06 16900 200 1.2135244e-14 2.1e-06 -0.0031779335 + 4e-06 17000 200 1.143872e-14 2.1e-06 -0.0030371862 + 4e-06 17100 200 1.1915182e-14 2.1e-06 -0.0028949095 + 4e-06 17200 200 1.2037492e-14 2.1e-06 -0.0027511752 + 4e-06 17300 200 1.2142546e-14 2.1e-06 -0.0026060556 + 4e-06 17400 200 1.2259988e-14 2.1e-06 -0.0024596238 + 4e-06 17500 200 1.2151413e-14 2.1e-06 -0.0023119534 + 4e-06 17600 200 1.2016981e-14 2.1e-06 -0.002163119 + 4e-06 17700 200 1.1899607e-14 2.1e-06 -0.0020131953 + 4e-06 17800 200 1.1847233e-14 2.1e-06 -0.0018622579 + 4e-06 17900 200 1.2597274e-14 2.1e-06 -0.0017103828 + 4e-06 18000 200 1.2571584e-14 2.1e-06 -0.0015576465 + 4e-06 18100 200 1.2548167e-14 2.1e-06 -0.0014041259 + 4e-06 18200 200 1.2600584e-14 2.1e-06 -0.0012498983 + 4e-06 18300 200 1.2060676e-14 2.1e-06 -0.0010950413 + 4e-06 18400 200 1.2159889e-14 2.1e-06 -0.00093963286 + 4e-06 18500 200 1.2213635e-14 2.1e-06 -0.00078375133 + 4e-06 18600 200 1.2323751e-14 2.1e-06 -0.00062747516 + 4e-06 18700 200 1.2137887e-14 2.1e-06 -0.00047088304 + 4e-06 18800 200 1.2201084e-14 2.1e-06 -0.00031405381 + 4e-06 18900 200 1.2210617e-14 2.1e-06 -0.00015706645 + 4e-06 19000 200 1.2385845e-14 2.1e-06 2.0903119e-17 +Loop time of 9.48207 on 1 procs for 14000 steps with 200 atoms -99.8% CPU use with 1 MPI tasks x no OpenMP threads +99.6% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- -Pair | 0.049189 | 0.049189 | 0.049189 | 0.0 | 17.13 -Neigh | 0.0057064 | 0.0057064 | 0.0057064 | 0.0 | 1.99 -Comm | 0.00064863 | 0.00064863 | 0.00064863 | 0.0 | 0.23 -Output | 0.00089611 | 0.00089611 | 0.00089611 | 0.0 | 0.31 -Modify | 0.22899 | 0.22899 | 0.22899 | 0.0 | 79.74 -Other | | 0.001749 | | | 0.61 +Pair | 5.3814 | 5.3814 | 5.3814 | 0.0 | 56.75 +Neigh | 0.04326 | 0.04326 | 0.04326 | 0.0 | 0.46 +Comm | 0.0018574 | 0.0018574 | 0.0018574 | 0.0 | 0.02 +Output | 0.0018533 | 0.0018533 | 0.0018533 | 0.0 | 0.02 +Modify | 4.047 | 4.047 | 4.047 | 0.0 | 42.68 +Other | | 0.006661 | | | 0.07 -Nlocal: 10 ave 10 max 10 min +Nlocal: 200 ave 200 max 200 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: 2 ave 2 max 2 min +Neighs: 3146 ave 3146 max 3146 min Histogram: 1 0 0 0 0 0 0 0 0 0 -Total # of neighbors = 2 -Ave neighs/atom = 0.2 +Total # of neighbors = 3146 +Ave neighs/atom = 15.73 Neighbor list builds = 233 Dangerous builds not checked @@ -530,172 +530,172 @@ variable disp_upper equal 0.9*v_disp_lower run ${ejection_steps} run 14000 Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule -Per MPI rank memory allocation (min/avg/max) = 72.3 | 72.3 | 72.3 Mbytes +Per MPI rank memory allocation (min/avg/max) = 72.31 | 72.31 | 72.31 Mbytes Dt Step Atoms KinEng Volume v_disp_upper - 4e-06 19000 10 9.8254791e-08 2.1e-06 0 - 4e-06 19100 10 9.6238878e-08 2.1e-06 0.00010097765 - 4e-06 19200 10 9.4395806e-08 2.1e-06 0.00020194258 - 4e-06 19300 10 9.2725573e-08 2.1e-06 0.00030288209 - 4e-06 19400 10 9.1228181e-08 2.1e-06 0.00040378347 - 4e-06 19500 10 8.9903628e-08 2.1e-06 0.00050463403 - 4e-06 19600 10 8.8751915e-08 2.1e-06 0.00060542105 - 4e-06 19700 10 6.9553679e-08 2.1e-06 0.00070613186 - 4e-06 19800 10 3.855161e-07 2.1e-06 0.00080675378 - 4e-06 19900 10 3.8006492e-07 2.1e-06 0.00090727414 - 4e-06 20000 10 3.7478659e-07 2.1e-06 0.0010076803 - 4e-06 20100 10 3.6968109e-07 2.1e-06 0.0011079596 - 4e-06 20200 10 3.6474843e-07 2.1e-06 0.0012080994 - 4e-06 20300 10 3.5998861e-07 2.1e-06 0.0013080871 - 4e-06 20400 10 3.5540163e-07 2.1e-06 0.0014079102 - 4e-06 20500 10 3.509875e-07 2.1e-06 0.001507556 - 4e-06 20600 10 3.467462e-07 2.1e-06 0.0016070121 - 4e-06 20700 10 3.4267774e-07 2.1e-06 0.0017062658 - 4e-06 20800 10 3.3878212e-07 2.1e-06 0.0018053047 - 4e-06 20900 10 6.2902098e-07 2.1e-06 0.0019041164 - 4e-06 21000 10 7.1567323e-07 2.1e-06 0.0020026884 - 4e-06 21100 10 7.0670404e-07 2.1e-06 0.0021010083 - 4e-06 21200 10 6.9790769e-07 2.1e-06 0.0021990637 - 4e-06 21300 10 6.8928417e-07 2.1e-06 0.0022968422 - 4e-06 21400 10 6.808335e-07 2.1e-06 0.0023943316 - 4e-06 21500 10 8.228831e-07 2.1e-06 0.0024915196 - 4e-06 21600 10 8.1258059e-07 2.1e-06 0.0025883939 - 4e-06 21700 10 8.0245093e-07 2.1e-06 0.0026849424 - 4e-06 21800 10 7.924941e-07 2.1e-06 0.0027811529 - 4e-06 21900 10 7.8271011e-07 2.1e-06 0.0028770133 - 4e-06 22000 10 7.7309896e-07 2.1e-06 0.0029725116 - 4e-06 22100 10 7.6366066e-07 2.1e-06 0.0030676356 - 4e-06 22200 10 7.5439519e-07 2.1e-06 0.0031623734 - 4e-06 22300 10 9.6736756e-07 2.1e-06 0.0032567132 - 4e-06 22400 10 9.5508751e-07 2.1e-06 0.0033506429 - 4e-06 22500 10 1.146027e-06 2.1e-06 0.0034441509 - 4e-06 22600 10 1.3340747e-06 2.1e-06 0.0035372253 - 4e-06 22700 10 1.3161012e-06 2.1e-06 0.0036298544 - 4e-06 22800 10 1.3780346e-06 2.1e-06 0.0037220265 - 4e-06 22900 10 1.4437449e-06 2.1e-06 0.0038137301 - 4e-06 23000 10 1.4237439e-06 2.1e-06 0.0039049537 - 4e-06 23100 10 1.4039157e-06 2.1e-06 0.0039956856 - 4e-06 23200 10 1.3842603e-06 2.1e-06 0.0040859145 - 4e-06 23300 10 1.3647778e-06 2.1e-06 0.0041756291 - 4e-06 23400 10 1.3454681e-06 2.1e-06 0.004264818 - 4e-06 23500 10 1.3263312e-06 2.1e-06 0.00435347 - 4e-06 23600 10 1.3073672e-06 2.1e-06 0.004441574 - 4e-06 23700 10 1.4224882e-06 2.1e-06 0.0045291188 - 4e-06 23800 10 1.4016962e-06 2.1e-06 0.0046160935 - 4e-06 23900 10 1.381077e-06 2.1e-06 0.0047024871 - 4e-06 24000 10 1.3606307e-06 2.1e-06 0.0047882887 - 4e-06 24100 10 1.3403572e-06 2.1e-06 0.0048734875 - 4e-06 24200 10 1.3202566e-06 2.1e-06 0.0049580728 - 4e-06 24300 10 1.3003288e-06 2.1e-06 0.005042034 - 4e-06 24400 10 1.2805739e-06 2.1e-06 0.0051253604 - 4e-06 24500 10 1.2609917e-06 2.1e-06 0.0052080417 - 4e-06 24600 10 1.2415825e-06 2.1e-06 0.0052900673 - 4e-06 24700 10 1.222346e-06 2.1e-06 0.0053714269 - 4e-06 24800 10 1.2032824e-06 2.1e-06 0.0054521104 - 4e-06 24900 10 1.1843917e-06 2.1e-06 0.0055321075 - 4e-06 25000 10 1.2550315e-06 2.1e-06 0.0056114082 - 4e-06 25100 10 1.2348763e-06 2.1e-06 0.0056900025 - 4e-06 25200 10 1.2148941e-06 2.1e-06 0.0057678805 - 4e-06 25300 10 1.1950846e-06 2.1e-06 0.0058450324 - 4e-06 25400 10 1.175448e-06 2.1e-06 0.0059214485 - 4e-06 25500 10 1.1559842e-06 2.1e-06 0.0059971192 - 4e-06 25600 10 1.1366933e-06 2.1e-06 0.0060720349 - 4e-06 25700 10 1.1175752e-06 2.1e-06 0.0061461862 - 4e-06 25800 10 1.0986299e-06 2.1e-06 0.0062195638 - 4e-06 25900 10 1.0798575e-06 2.1e-06 0.0062921585 - 4e-06 26000 10 1.061258e-06 2.1e-06 0.006363961 - 4e-06 26100 10 9.1373064e-07 2.1e-06 0.0064349624 - 4e-06 26200 10 8.9836765e-07 2.1e-06 0.0065051538 - 4e-06 26300 10 8.8317749e-07 2.1e-06 0.0065745262 - 4e-06 26400 10 8.6816018e-07 2.1e-06 0.006643071 - 4e-06 26500 10 7.2232503e-07 2.1e-06 0.0067107795 - 4e-06 26600 10 7.1072319e-07 2.1e-06 0.0067776432 - 4e-06 26700 10 6.9929419e-07 2.1e-06 0.0068436537 - 4e-06 26800 10 6.8803803e-07 2.1e-06 0.0069088027 - 4e-06 26900 10 6.7695471e-07 2.1e-06 0.0069730819 - 4e-06 27000 10 6.6604423e-07 2.1e-06 0.0070364833 - 4e-06 27100 10 6.5530659e-07 2.1e-06 0.007098999 - 4e-06 27200 10 6.4474179e-07 2.1e-06 0.0071606209 - 4e-06 27300 10 6.3434984e-07 2.1e-06 0.0072213415 - 4e-06 27400 10 6.2413072e-07 2.1e-06 0.0072811529 - 4e-06 27500 10 6.1408444e-07 2.1e-06 0.0073400478 - 4e-06 27600 10 6.04211e-07 2.1e-06 0.0073980187 - 4e-06 27700 10 5.945104e-07 2.1e-06 0.0074550582 - 4e-06 27800 10 5.8498264e-07 2.1e-06 0.0075111593 - 4e-06 27900 10 5.7562772e-07 2.1e-06 0.0075663148 - 4e-06 28000 10 5.6644564e-07 2.1e-06 0.0076205178 - 4e-06 28100 10 5.574364e-07 2.1e-06 0.0076737615 - 4e-06 28200 10 5.486e-07 2.1e-06 0.0077260391 - 4e-06 28300 10 5.3993644e-07 2.1e-06 0.0077773442 - 4e-06 28400 10 5.3144572e-07 2.1e-06 0.0078276702 - 4e-06 28500 10 5.1027539e-07 2.1e-06 0.0078770108 - 4e-06 28600 10 3.5840723e-07 2.1e-06 0.0079253598 - 4e-06 28700 10 3.7060273e-07 2.1e-06 0.0079727111 - 4e-06 28800 10 3.6745652e-07 2.1e-06 0.0080190587 - 4e-06 28900 10 3.6448315e-07 2.1e-06 0.0080643969 - 4e-06 29000 10 3.0843931e-07 2.1e-06 0.0081087198 - 4e-06 29100 10 3.0772799e-07 2.1e-06 0.008152022 - 4e-06 29200 10 3.0718951e-07 2.1e-06 0.0081942979 - 4e-06 29300 10 3.0682387e-07 2.1e-06 0.0082355423 - 4e-06 29400 10 3.0663107e-07 2.1e-06 0.00827575 - 4e-06 29500 10 3.0661111e-07 2.1e-06 0.0083149158 - 4e-06 29600 10 3.0676399e-07 2.1e-06 0.0083530349 - 4e-06 29700 10 3.0708971e-07 2.1e-06 0.0083901025 - 4e-06 29800 10 3.0758827e-07 2.1e-06 0.0084261138 - 4e-06 29900 10 3.0825967e-07 2.1e-06 0.0084610645 - 4e-06 30000 10 3.0910391e-07 2.1e-06 0.00849495 - 4e-06 30100 10 2.7633224e-07 2.1e-06 0.0085277661 - 4e-06 30200 10 2.7917696e-07 2.1e-06 0.0085595086 - 4e-06 30300 10 2.8219452e-07 2.1e-06 0.0085901737 - 4e-06 30400 10 2.8538492e-07 2.1e-06 0.0086197574 - 4e-06 30500 10 2.8874816e-07 2.1e-06 0.0086482559 - 4e-06 30600 10 2.9228424e-07 2.1e-06 0.0086756657 - 4e-06 30700 10 2.9599316e-07 2.1e-06 0.0087019834 - 4e-06 30800 10 2.9987493e-07 2.1e-06 0.0087272057 - 4e-06 30900 10 3.0392953e-07 2.1e-06 0.0087513293 - 4e-06 31000 10 3.0815697e-07 2.1e-06 0.0087743512 - 4e-06 31100 10 3.1255725e-07 2.1e-06 0.0087962686 - 4e-06 31200 10 3.1713037e-07 2.1e-06 0.0088170786 - 4e-06 31300 10 3.2187633e-07 2.1e-06 0.0088367787 - 4e-06 31400 10 3.2679513e-07 2.1e-06 0.0088553663 - 4e-06 31500 10 3.3188677e-07 2.1e-06 0.0088728392 - 4e-06 31600 10 3.3522008e-07 2.1e-06 0.0088891951 - 4e-06 31700 10 3.3129412e-07 2.1e-06 0.0089044319 - 4e-06 31800 10 3.3814673e-07 2.1e-06 0.0089185479 - 4e-06 31900 10 3.7840167e-07 2.1e-06 0.0089315411 - 4e-06 32000 10 3.8178891e-07 2.1e-06 0.0089434099 - 4e-06 32100 10 3.8534899e-07 2.1e-06 0.0089541529 - 4e-06 32200 10 3.8908191e-07 2.1e-06 0.0089637686 - 4e-06 32300 10 4.1410686e-07 2.1e-06 0.008972256 - 4e-06 32400 10 4.1433199e-07 2.1e-06 0.0089796139 - 4e-06 32500 10 4.1472995e-07 2.1e-06 0.0089858413 - 4e-06 32600 10 4.1530076e-07 2.1e-06 0.0089909376 - 4e-06 32700 10 4.1604441e-07 2.1e-06 0.008994902 - 4e-06 32800 10 4.169609e-07 2.1e-06 0.0089977341 - 4e-06 32900 10 4.1805022e-07 2.1e-06 0.0089994335 - 4e-06 33000 10 4.1931239e-07 2.1e-06 0.009 -Loop time of 0.177773 on 1 procs for 14000 steps with 10 atoms + 4e-06 19000 200 1.2385845e-14 2.1e-06 0 + 4e-06 19100 200 1.2261513e-05 2.1e-06 0.00010097765 + 4e-06 19200 200 1.668842e-05 2.1e-06 0.00020194258 + 4e-06 19300 200 8.188349e-06 2.1e-06 0.00030288209 + 4e-06 19400 200 3.786144e-06 2.1e-06 0.00040378347 + 4e-06 19500 200 9.574368e-06 2.1e-06 0.00050463403 + 4e-06 19600 200 1.1344815e-05 2.1e-06 0.00060542105 + 4e-06 19700 200 5.9381813e-06 2.1e-06 0.00070613186 + 4e-06 19800 200 6.6666301e-06 2.1e-06 0.00080675378 + 4e-06 19900 200 1.090387e-05 2.1e-06 0.00090727414 + 4e-06 20000 200 7.740567e-06 2.1e-06 0.0010076803 + 4e-06 20100 200 6.2375154e-06 2.1e-06 0.0011079596 + 4e-06 20200 200 9.3040254e-06 2.1e-06 0.0012080994 + 4e-06 20300 200 8.9696433e-06 2.1e-06 0.0013080871 + 4e-06 20400 200 6.5727278e-06 2.1e-06 0.0014079102 + 4e-06 20500 200 7.762698e-06 2.1e-06 0.001507556 + 4e-06 20600 200 9.2433982e-06 2.1e-06 0.0016070121 + 4e-06 20700 200 7.3505514e-06 2.1e-06 0.0017062658 + 4e-06 20800 200 6.9601084e-06 2.1e-06 0.0018053047 + 4e-06 20900 200 8.6605025e-06 2.1e-06 0.0019041164 + 4e-06 21000 200 8.0661649e-06 2.1e-06 0.0020026884 + 4e-06 21100 200 6.9330037e-06 2.1e-06 0.0021010083 + 4e-06 21200 200 7.8802994e-06 2.1e-06 0.0021990637 + 4e-06 21300 200 8.12707e-06 2.1e-06 0.0022968422 + 4e-06 21400 200 7.1184483e-06 2.1e-06 0.0023943316 + 4e-06 21500 200 7.3747722e-06 2.1e-06 0.0024915196 + 4e-06 21600 200 7.941038e-06 2.1e-06 0.0025883939 + 4e-06 21700 200 7.2906871e-06 2.1e-06 0.0026849424 + 4e-06 21800 200 7.0584615e-06 2.1e-06 0.0027811529 + 4e-06 21900 200 7.6303484e-06 2.1e-06 0.0028770133 + 4e-06 22000 200 7.3276603e-06 2.1e-06 0.0029725116 + 4e-06 22100 200 7.0392936e-06 2.1e-06 0.0030676356 + 4e-06 22200 200 7.1860378e-06 2.1e-06 0.0031623734 + 4e-06 22300 200 7.1628093e-06 2.1e-06 0.0032567132 + 4e-06 22400 200 6.9556524e-06 2.1e-06 0.0033506429 + 4e-06 22500 200 6.9109402e-06 2.1e-06 0.0034441509 + 4e-06 22600 200 6.981937e-06 2.1e-06 0.0035372253 + 4e-06 22700 200 6.8009271e-06 2.1e-06 0.0036298544 + 4e-06 22800 200 6.6923037e-06 2.1e-06 0.0037220265 + 4e-06 22900 200 6.7438993e-06 2.1e-06 0.0038137301 + 4e-06 23000 200 6.6280705e-06 2.1e-06 0.0039049537 + 4e-06 23100 200 6.4659616e-06 2.1e-06 0.0039956856 + 4e-06 23200 200 6.486839e-06 2.1e-06 0.0040859145 + 4e-06 23300 200 6.4478859e-06 2.1e-06 0.0041756291 + 4e-06 23400 200 6.2666043e-06 2.1e-06 0.004264818 + 4e-06 23500 200 6.2352434e-06 2.1e-06 0.00435347 + 4e-06 23600 200 6.2074024e-06 2.1e-06 0.004441574 + 4e-06 23700 200 6.068366e-06 2.1e-06 0.0045291188 + 4e-06 23800 200 5.9784229e-06 2.1e-06 0.0046160935 + 4e-06 23900 200 5.9536629e-06 2.1e-06 0.0047024871 + 4e-06 24000 200 5.8480609e-06 2.1e-06 0.0047882887 + 4e-06 24100 200 5.707216e-06 2.1e-06 0.0048734875 + 4e-06 24200 200 5.6922834e-06 2.1e-06 0.0049580728 + 4e-06 24300 200 5.6187319e-06 2.1e-06 0.005042034 + 4e-06 24400 200 5.4774741e-06 2.1e-06 0.0051253604 + 4e-06 24500 200 5.4144843e-06 2.1e-06 0.0052080417 + 4e-06 24600 200 5.3595768e-06 2.1e-06 0.0052900673 + 4e-06 24700 200 5.2374057e-06 2.1e-06 0.0053714269 + 4e-06 24800 200 5.1410204e-06 2.1e-06 0.0054521104 + 4e-06 24900 200 5.0888231e-06 2.1e-06 0.0055321075 + 4e-06 25000 200 4.984139e-06 2.1e-06 0.0056114082 + 4e-06 25100 200 4.9836569e-06 2.1e-06 0.0056900025 + 4e-06 25200 200 4.7331289e-06 2.1e-06 0.0057678805 + 4e-06 25300 200 4.6728119e-06 2.1e-06 0.0058450324 + 4e-06 25400 200 4.7016583e-06 2.1e-06 0.0059214485 + 4e-06 25500 200 4.5200193e-06 2.1e-06 0.0059971192 + 4e-06 25600 200 4.378095e-06 2.1e-06 0.0060720349 + 4e-06 25700 200 4.3949017e-06 2.1e-06 0.0061461862 + 4e-06 25800 200 4.2795904e-06 2.1e-06 0.0062195638 + 4e-06 25900 200 4.116551e-06 2.1e-06 0.0062921585 + 4e-06 26000 200 4.0844003e-06 2.1e-06 0.006363961 + 4e-06 26100 200 4.0601132e-06 2.1e-06 0.0064349624 + 4e-06 26200 200 3.8632558e-06 2.1e-06 0.0065051538 + 4e-06 26300 200 3.7501901e-06 2.1e-06 0.0065745262 + 4e-06 26400 200 3.7665658e-06 2.1e-06 0.006643071 + 4e-06 26500 200 3.6221171e-06 2.1e-06 0.0067107795 + 4e-06 26600 200 3.483452e-06 2.1e-06 0.0067776432 + 4e-06 26700 200 3.4573133e-06 2.1e-06 0.0068436537 + 4e-06 26800 200 3.3725298e-06 2.1e-06 0.0069088027 + 4e-06 26900 200 3.2275695e-06 2.1e-06 0.0069730819 + 4e-06 27000 200 3.1636462e-06 2.1e-06 0.0070364833 + 4e-06 27100 200 3.1002791e-06 2.1e-06 0.007098999 + 4e-06 27200 200 2.9719515e-06 2.1e-06 0.0071606209 + 4e-06 27300 200 2.8999181e-06 2.1e-06 0.0072213415 + 4e-06 27400 200 2.8296722e-06 2.1e-06 0.0072811529 + 4e-06 27500 200 2.7244185e-06 2.1e-06 0.0073400478 + 4e-06 27600 200 2.6342108e-06 2.1e-06 0.0073980187 + 4e-06 27700 200 2.5655873e-06 2.1e-06 0.0074550582 + 4e-06 27800 200 2.4771843e-06 2.1e-06 0.0075111593 + 4e-06 27900 200 2.3805529e-06 2.1e-06 0.0075663148 + 4e-06 28000 200 2.3094253e-06 2.1e-06 0.0076205178 + 4e-06 28100 200 2.2443631e-06 2.1e-06 0.0076737615 + 4e-06 28200 200 2.1339799e-06 2.1e-06 0.0077260391 + 4e-06 28300 200 2.0525827e-06 2.1e-06 0.0077773442 + 4e-06 28400 200 2.0012311e-06 2.1e-06 0.0078276702 + 4e-06 28500 200 1.9064828e-06 2.1e-06 0.0078770108 + 4e-06 28600 200 1.8186848e-06 2.1e-06 0.0079253598 + 4e-06 28700 200 1.7614909e-06 2.1e-06 0.0079727111 + 4e-06 28800 200 1.6854916e-06 2.1e-06 0.0080190587 + 4e-06 28900 200 1.5987487e-06 2.1e-06 0.0080643969 + 4e-06 29000 200 1.5345142e-06 2.1e-06 0.0081087198 + 4e-06 29100 200 1.4807046e-06 2.1e-06 0.008152022 + 4e-06 29200 200 1.3891852e-06 2.1e-06 0.0081942979 + 4e-06 29300 200 1.3152808e-06 2.1e-06 0.0082355423 + 4e-06 29400 200 1.2682955e-06 2.1e-06 0.00827575 + 4e-06 29500 200 1.1980726e-06 2.1e-06 0.0083149158 + 4e-06 29600 200 1.1206391e-06 2.1e-06 0.0083530349 + 4e-06 29700 200 1.069315e-06 2.1e-06 0.0083901025 + 4e-06 29800 200 1.0128853e-06 2.1e-06 0.0084261138 + 4e-06 29900 200 9.4294228e-07 2.1e-06 0.0084610645 + 4e-06 30000 200 8.8682322e-07 2.1e-06 0.00849495 + 4e-06 30100 200 8.3143727e-07 2.1e-06 0.0085277661 + 4e-06 30200 200 7.7886925e-07 2.1e-06 0.0085595086 + 4e-06 30300 200 7.2644265e-07 2.1e-06 0.0085901737 + 4e-06 30400 200 6.7416382e-07 2.1e-06 0.0086197574 + 4e-06 30500 200 6.2520867e-07 2.1e-06 0.0086482559 + 4e-06 30600 200 5.7710448e-07 2.1e-06 0.0086756657 + 4e-06 30700 200 5.3156928e-07 2.1e-06 0.0087019834 + 4e-06 30800 200 4.8684727e-07 2.1e-06 0.0087272057 + 4e-06 30900 200 4.4454752e-07 2.1e-06 0.0087513293 + 4e-06 31000 200 4.0418128e-07 2.1e-06 0.0087743512 + 4e-06 31100 200 3.677997e-07 2.1e-06 0.0087962686 + 4e-06 31200 200 3.2762411e-07 2.1e-06 0.0088170786 + 4e-06 31300 200 2.9156601e-07 2.1e-06 0.0088367787 + 4e-06 31400 200 2.6235825e-07 2.1e-06 0.0088553663 + 4e-06 31500 200 2.2926207e-07 2.1e-06 0.0088728392 + 4e-06 31600 200 1.9870435e-07 2.1e-06 0.0088891951 + 4e-06 31700 200 1.7318685e-07 2.1e-06 0.0089044319 + 4e-06 31800 200 1.4793716e-07 2.1e-06 0.0089185479 + 4e-06 31900 200 1.2335756e-07 2.1e-06 0.0089315411 + 4e-06 32000 200 1.024269e-07 2.1e-06 0.0089434099 + 4e-06 32100 200 8.4811971e-08 2.1e-06 0.0089541529 + 4e-06 32200 200 6.5610079e-08 2.1e-06 0.0089637686 + 4e-06 32300 200 4.9804549e-08 2.1e-06 0.008972256 + 4e-06 32400 200 3.7696394e-08 2.1e-06 0.0089796139 + 4e-06 32500 200 2.6121364e-08 2.1e-06 0.0089858413 + 4e-06 32600 200 1.6302764e-08 2.1e-06 0.0089909376 + 4e-06 32700 200 9.4496486e-09 2.1e-06 0.008994902 + 4e-06 32800 200 4.3514823e-09 2.1e-06 0.0089977341 + 4e-06 32900 200 1.0546756e-09 2.1e-06 0.0089994335 + 4e-06 33000 200 7.3695568e-13 2.1e-06 0.009 +Loop time of 11.7961 on 1 procs for 14000 steps with 200 atoms -99.8% CPU use with 1 MPI tasks x no OpenMP threads +99.6% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- -Pair | 0.0020062 | 0.0020062 | 0.0020062 | 0.0 | 1.13 -Neigh | 0.00084671 | 0.00084671 | 0.00084671 | 0.0 | 0.48 -Comm | 0.00056289 | 0.00056289 | 0.00056289 | 0.0 | 0.32 -Output | 0.0010356 | 0.0010356 | 0.0010356 | 0.0 | 0.58 -Modify | 0.17178 | 0.17178 | 0.17178 | 0.0 | 96.63 -Other | | 0.001546 | | | 0.87 +Pair | 7.033 | 7.033 | 7.033 | 0.0 | 59.62 +Neigh | 0.047308 | 0.047308 | 0.047308 | 0.0 | 0.40 +Comm | 0.0020382 | 0.0020382 | 0.0020382 | 0.0 | 0.02 +Output | 0.0022072 | 0.0022072 | 0.0022072 | 0.0 | 0.02 +Modify | 4.7043 | 4.7043 | 4.7043 | 0.0 | 39.88 +Other | | 0.00727 | | | 0.06 -Nlocal: 10 ave 10 max 10 min +Nlocal: 200 ave 200 max 200 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: 3 ave 3 max 3 min +Neighs: 3145 ave 3145 max 3145 min Histogram: 1 0 0 0 0 0 0 0 0 0 -Total # of neighbors = 3 -Ave neighs/atom = 0.3 +Total # of neighbors = 3145 +Ave neighs/atom = 15.725 Neighbor list builds = 233 Dangerous builds not checked @@ -710,82 +710,82 @@ variable max_disp equal 0.004*0.75 run ${free_float_steps} run 5000 Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule -Per MPI rank memory allocation (min/avg/max) = 72.3 | 72.3 | 72.3 Mbytes +Per MPI rank memory allocation (min/avg/max) = 72.31 | 72.31 | 72.31 Mbytes Dt Step Atoms KinEng Volume v_disp_upper - 4e-06 33000 10 4.1931239e-07 2.1e-06 0.009 - 4e-06 33100 10 4.207474e-07 2.1e-06 0.009 - 4e-06 33200 10 4.2235525e-07 2.1e-06 0.009 - 4e-06 33300 10 4.2413593e-07 2.1e-06 0.009 - 4e-06 33400 10 4.2608946e-07 2.1e-06 0.009 - 4e-06 33500 10 4.2821583e-07 2.1e-06 0.009 - 4e-06 33600 10 4.3051504e-07 2.1e-06 0.009 - 4e-06 33700 10 4.3298709e-07 2.1e-06 0.009 - 4e-06 33800 10 4.3563197e-07 2.1e-06 0.009 - 4e-06 33900 10 4.384497e-07 2.1e-06 0.009 - 4e-06 34000 10 4.4144027e-07 2.1e-06 0.009 - 4e-06 34100 10 4.4460367e-07 2.1e-06 0.009 - 4e-06 34200 10 4.4793992e-07 2.1e-06 0.009 - 4e-06 34300 10 4.5144901e-07 2.1e-06 0.009 - 4e-06 34400 10 4.5465956e-07 2.1e-06 0.009 - 4e-06 34500 10 4.5470653e-07 2.1e-06 0.009 - 4e-06 34600 10 4.5236426e-07 2.1e-06 0.009 - 4e-06 34700 10 4.5019483e-07 2.1e-06 0.009 - 4e-06 34800 10 4.4819824e-07 2.1e-06 0.009 - 4e-06 34900 10 4.4590448e-07 2.1e-06 0.009 - 4e-06 35000 10 4.4154693e-07 2.1e-06 0.009 - 4e-06 35100 10 4.3736222e-07 2.1e-06 0.009 - 4e-06 35200 10 4.3335035e-07 2.1e-06 0.009 - 4e-06 35300 10 4.2951132e-07 2.1e-06 0.009 - 4e-06 35400 10 4.2584514e-07 2.1e-06 0.009 - 4e-06 35500 10 4.2235179e-07 2.1e-06 0.009 - 4e-06 35600 10 4.1903128e-07 2.1e-06 0.009 - 4e-06 35700 10 4.1034829e-07 2.1e-06 0.009 - 4e-06 35800 10 4.1153836e-07 2.1e-06 0.009 - 4e-06 35900 10 4.0720986e-07 2.1e-06 0.009 - 4e-06 36000 10 4.0259092e-07 2.1e-06 0.009 - 4e-06 36100 10 3.9607992e-07 2.1e-06 0.009 - 4e-06 36200 10 3.8974177e-07 2.1e-06 0.009 - 4e-06 36300 10 3.8357646e-07 2.1e-06 0.009 - 4e-06 36400 10 3.7758398e-07 2.1e-06 0.009 - 4e-06 36500 10 3.7176435e-07 2.1e-06 0.009 - 4e-06 36600 10 3.6611755e-07 2.1e-06 0.009 - 4e-06 36700 10 3.606436e-07 2.1e-06 0.009 - 4e-06 36800 10 3.5534248e-07 2.1e-06 0.009 - 4e-06 36900 10 3.5021421e-07 2.1e-06 0.009 - 4e-06 37000 10 3.4525877e-07 2.1e-06 0.009 - 4e-06 37100 10 3.4047618e-07 2.1e-06 0.009 - 4e-06 37200 10 3.3586643e-07 2.1e-06 0.009 - 4e-06 37300 10 3.3142951e-07 2.1e-06 0.009 - 4e-06 37400 10 3.0307307e-07 2.1e-06 0.009 - 4e-06 37500 10 3.208203e-07 2.1e-06 0.009 - 4e-06 37600 10 3.1480548e-07 2.1e-06 0.009 - 4e-06 37700 10 3.0896349e-07 2.1e-06 0.009 - 4e-06 37800 10 3.0329434e-07 2.1e-06 0.009 - 4e-06 37900 10 2.9779804e-07 2.1e-06 0.009 - 4e-06 38000 10 2.9247457e-07 2.1e-06 0.009 -Loop time of 0.0201013 on 1 procs for 5000 steps with 10 atoms + 4e-06 33000 200 7.3695568e-13 2.1e-06 0.009 + 4e-06 33100 200 1.0383246e-10 2.1e-06 0.009 + 4e-06 33200 200 5.9976193e-12 2.1e-06 0.009 + 4e-06 33300 200 6.2729949e-12 2.1e-06 0.009 + 4e-06 33400 200 9.0819715e-12 2.1e-06 0.009 + 4e-06 33500 200 4.1741245e-12 2.1e-06 0.009 + 4e-06 33600 200 4.2796157e-13 2.1e-06 0.009 + 4e-06 33700 200 1.2198973e-13 2.1e-06 0.009 + 4e-06 33800 200 5.0253099e-13 2.1e-06 0.009 + 4e-06 33900 200 3.2987112e-13 2.1e-06 0.009 + 4e-06 34000 200 9.8474325e-14 2.1e-06 0.009 + 4e-06 34100 200 2.0804908e-14 2.1e-06 0.009 + 4e-06 34200 200 3.5479858e-14 2.1e-06 0.009 + 4e-06 34300 200 4.6823841e-14 2.1e-06 0.009 + 4e-06 34400 200 2.8845396e-14 2.1e-06 0.009 + 4e-06 34500 200 2.4894095e-14 2.1e-06 0.009 + 4e-06 34600 200 2.4407576e-14 2.1e-06 0.009 + 4e-06 34700 200 2.4241607e-14 2.1e-06 0.009 + 4e-06 34800 200 2.5678797e-14 2.1e-06 0.009 + 4e-06 34900 200 3.0880003e-14 2.1e-06 0.009 + 4e-06 35000 200 3.3341003e-14 2.1e-06 0.009 + 4e-06 35100 200 1.5611246e-11 2.1e-06 0.009 + 4e-06 35200 200 8.7304571e-13 2.1e-06 0.009 + 4e-06 35300 200 1.28235e-13 2.1e-06 0.009 + 4e-06 35400 200 4.7975116e-13 2.1e-06 0.009 + 4e-06 35500 200 4.0667584e-13 2.1e-06 0.009 + 4e-06 35600 200 1.1230838e-13 2.1e-06 0.009 + 4e-06 35700 200 3.0578739e-14 2.1e-06 0.009 + 4e-06 35800 200 5.2724197e-14 2.1e-06 0.009 + 4e-06 35900 200 5.4930313e-14 2.1e-06 0.009 + 4e-06 36000 200 5.0413822e-14 2.1e-06 0.009 + 4e-06 36100 200 4.2936129e-14 2.1e-06 0.009 + 4e-06 36200 200 4.2946116e-14 2.1e-06 0.009 + 4e-06 36300 200 4.5163485e-14 2.1e-06 0.009 + 4e-06 36400 200 4.6640704e-14 2.1e-06 0.009 + 4e-06 36500 200 4.6581622e-14 2.1e-06 0.009 + 4e-06 36600 200 4.6319151e-14 2.1e-06 0.009 + 4e-06 36700 200 4.5444461e-14 2.1e-06 0.009 + 4e-06 36800 200 4.6152933e-14 2.1e-06 0.009 + 4e-06 36900 200 4.5660145e-14 2.1e-06 0.009 + 4e-06 37000 200 4.479585e-14 2.1e-06 0.009 + 4e-06 37100 200 4.454612e-14 2.1e-06 0.009 + 4e-06 37200 200 4.3595031e-14 2.1e-06 0.009 + 4e-06 37300 200 4.2650848e-14 2.1e-06 0.009 + 4e-06 37400 200 4.3124042e-14 2.1e-06 0.009 + 4e-06 37500 200 4.1053224e-14 2.1e-06 0.009 + 4e-06 37600 200 4.2786157e-14 2.1e-06 0.009 + 4e-06 37700 200 4.3961233e-14 2.1e-06 0.009 + 4e-06 37800 200 4.359215e-14 2.1e-06 0.009 + 4e-06 37900 200 4.3410766e-14 2.1e-06 0.009 + 4e-06 38000 200 3.9866697e-14 2.1e-06 0.009 +Loop time of 4.29106 on 1 procs for 5000 steps with 200 atoms -99.8% CPU use with 1 MPI tasks x no OpenMP threads +99.6% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- -Pair | 0.00055406 | 0.00055406 | 0.00055406 | 0.0 | 2.76 -Neigh | 0.00029074 | 0.00029074 | 0.00029074 | 0.0 | 1.45 -Comm | 0.00017063 | 0.00017063 | 0.00017063 | 0.0 | 0.85 -Output | 0.00023192 | 0.00023192 | 0.00023192 | 0.0 | 1.15 -Modify | 0.018306 | 0.018306 | 0.018306 | 0.0 | 91.07 -Other | | 0.000548 | | | 2.73 +Pair | 2.6156 | 2.6156 | 2.6156 | 0.0 | 60.95 +Neigh | 0.017028 | 0.017028 | 0.017028 | 0.0 | 0.40 +Comm | 0.00059632 | 0.00059632 | 0.00059632 | 0.0 | 0.01 +Output | 0.00055782 | 0.00055782 | 0.00055782 | 0.0 | 0.01 +Modify | 1.6547 | 1.6547 | 1.6547 | 0.0 | 38.56 +Other | | 0.002613 | | | 0.06 -Nlocal: 10 ave 10 max 10 min +Nlocal: 200 ave 200 max 200 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: 2 ave 2 max 2 min +Neighs: 3145 ave 3145 max 3145 min Histogram: 1 0 0 0 0 0 0 0 0 0 -Total # of neighbors = 2 -Ave neighs/atom = 0.2 +Total # of neighbors = 3145 +Ave neighs/atom = 15.725 Neighbor list builds = 83 Dangerous builds not checked -Total wall time: 0:00:00 +Total wall time: 0:00:26 diff --git a/examples/granular/log.4Feb25.triaxial.compaction.12.g++.1 b/examples/granular/log.4Feb25.triaxial.compaction.12.g++.1 index 8b9562d59f..eb49f732e8 100644 --- a/examples/granular/log.4Feb25.triaxial.compaction.12.g++.1 +++ b/examples/granular/log.4Feb25.triaxial.compaction.12.g++.1 @@ -1,4 +1,4 @@ -LAMMPS (4 Feb 2025 - Development - patch_4Feb2025-581-g384d7f446b-modified) +LAMMPS (4 Feb 2025 - Development - patch_4Feb2025-583-g3d4b57d7fd-modified) ############################### SIMULATION SETTINGS ################################################### atom_style sphere 1 @@ -19,7 +19,7 @@ Reading data file ... 1 by 1 by 1 MPI processor grid reading atoms ... 12 atoms - read_data CPU = 0.002 seconds + read_data CPU = 0.003 seconds fix integr all nve/sphere # create pair group for contact area outputs @@ -193,9 +193,9 @@ Neighbor list info ... Per MPI rank memory allocation (min/avg/max) = 74.54 | 74.54 | 74.54 Mbytes Dt Step Atoms KinEng c_1 Volume 1e-06 0 12 0 0 8000 -Loop time of 1.135e-06 on 1 procs for 0 steps with 12 atoms +Loop time of 8.47e-07 on 1 procs for 0 steps with 12 atoms -88.1% CPU use with 1 MPI tasks x no OpenMP threads +0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total @@ -205,7 +205,7 @@ Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 -Other | | 1.135e-06 | | |100.00 +Other | | 8.47e-07 | | |100.00 Nlocal: 12 ave 12 max 12 min Histogram: 1 0 0 0 0 0 0 0 0 0 @@ -253,527 +253,528 @@ Neighbor list info ... Per MPI rank memory allocation (min/avg/max) = 75.17 | 75.17 | 75.17 Mbytes Dt Step Atoms KinEng c_1 Volume 1e-06 0 12 0 0 8000 - 1e-06 100 12 0.00013054111 0 8000 - 1e-06 200 12 0.013855547 0 8000 - 1e-06 300 12 0.14822185 0 8000 - 1e-06 400 12 0.73507149 0 8000 - 1e-06 500 12 2.4874475 0 8000 - 1e-06 600 12 6.7258963 0 8000 - 1e-06 700 12 15.636026 0 8000 - 1e-06 800 12 32.517811 0 8000 - 1e-06 900 12 62.020123 0 8000 - 1e-06 1000 12 110.35576 0 8000 - 1e-06 1100 12 185.492 0 8000 - 1e-06 1200 12 297.31164 0 8000 - 1e-06 1300 12 457.73953 0 8000 - 1e-06 1400 12 680.82988 0 8000 - 1e-06 1500 12 982.80999 0 8000 - 1e-06 1600 12 1382.0767 0 8000 - 1e-06 1700 12 1899.1422 0 8000 - 1e-06 1800 12 2556.5278 0 8000 - 1e-06 1900 12 3378.6026 0 8000 - 1e-06 2000 12 4391.3694 0 8000 - 1e-06 2100 12 5622.1967 0 8000 - 1e-06 2200 12 7099.4998 0 8000 - 1e-06 2300 12 8852.3743 0 8000 - 1e-06 2400 10 6989.9205 0 8000 - 1e-06 2500 10 8429.3452 0 8000 - 1e-06 2600 10 10069.898 0 8000 - 1e-06 2700 10 11924.3 0 8000 - 1e-06 2800 10 14004.078 0 8000 - 1e-06 2900 10 16319.307 0 8000 - 1e-06 3000 10 18878.365 0 8000 - 1e-06 3100 10 21687.702 0 8000 - 1e-06 3200 10 24751.634 0 8000 - 1e-06 3300 10 28072.177 0 8000 - 1e-06 3400 10 31649.069 0 8000 - 1e-06 3500 10 35479.937 0 8000 - 1e-06 3600 10 39560.508 0 8000 - 1e-06 3700 10 43884.837 0 8000 - 1e-06 3800 10 48445.544 0 8000 - 1e-06 3900 10 53234.048 0 8000 - 1e-06 4000 10 58240.786 0 8000 - 1e-06 4100 10 63455.398 0 8000 - 1e-06 4200 10 68866.878 0 8000 - 1e-06 4300 10 74463.666 0 8000 - 1e-06 4400 10 80233.692 0 8000 - 1e-06 4500 10 86164.354 0 8000 - 1e-06 4600 10 92242.435 0 8000 - 1e-06 4700 10 98453.963 0 8000 - 1e-06 4800 10 104784.03 0 8000 - 1e-06 4900 10 111216.58 0 8000 - 1e-06 5000 10 117734.15 0 8000 - 1e-06 5100 10 124317.68 0 8000 - 1e-06 5200 10 130946.27 0 8000 - 1e-06 5300 10 137597 0 8000 - 1e-06 5400 10 144244.91 0 8000 - 1e-06 5500 10 150862.88 0 8000 - 1e-06 5600 10 157421.78 0 8000 - 1e-06 5700 10 163890.67 0 8000 - 1e-06 5800 10 170237.02 0 8000 - 1e-06 5900 10 176427.24 0 8000 - 1e-06 6000 10 182427.1 0 8000 - 1e-06 6100 10 188202.4 0 8000 - 1e-06 6200 10 193719.65 0 8000 - 1e-06 6300 10 198946.82 0 8000 - 1e-06 6400 10 203854.11 0 8000 - 1e-06 6500 10 208414.76 0 8000 - 1e-06 6600 10 212605.82 0 8000 - 1e-06 6700 10 216408.93 0 8000 - 1e-06 6800 10 219811.02 0 8000 - 1e-06 6900 10 222804.99 0 8000 - 1e-06 7000 10 225390.45 0 8000 - 1e-06 7100 10 227574.39 0 8000 - 1e-06 7200 10 229372.23 0 8000 - 1e-06 7300 10 230809.43 0 8000 - 1e-06 7400 10 231925.78 0 8000 - 1e-06 7500 10 232793.77 0 8000 - 1e-06 7600 10 233468.99 0 8000 - 1e-06 7700 10 233964.52 1.1292815e-08 8000 - 1e-06 7800 10 234297.53 3.2638536e-06 8000 - 1e-06 7900 10 234490.97 4.5245711e-05 8000 - 1e-06 8000 10 234575.58 0.00027361033 8000 - 1e-06 8100 10 234598.71 0.001096929 8000 - 1e-06 8200 10 234623.44 0.0034192164 8000 - 1e-06 8300 10 234664.37 0.0089703149 8000 - 1e-06 8400 10 234728.48 0.020734818 8000 - 1e-06 8500 10 234824.44 0.043473962 8000 - 1e-06 8600 10 234962.62 0.084326224 8000 - 1e-06 8700 10 235155.17 0.15346362 8000 - 1e-06 8800 10 235415.94 0.26477255 8000 - 1e-06 8900 10 235760.43 0.43652067 8000 - 1e-06 9000 10 236205.62 0.69196571 8000 - 1e-06 9100 10 236769.75 1.0598579 8000 - 1e-06 9200 10 237472.3 1.5747862 8000 - 1e-06 9300 10 238334.06 2.2773199 8000 - 1e-06 9400 10 239377.46 3.2138993 8000 - 1e-06 9500 10 240626.63 4.4364369 8000 - 1e-06 9600 10 242107.53 6.0015993 8000 - 1e-06 9700 10 243847.86 7.9697503 8000 - 1e-06 9800 10 245876.93 10.403551 8000 - 1e-06 9900 10 248225.31 13.366224 8000 - 1e-06 10000 10 250924.44 16.919517 8000 - 1e-06 10100 8 234934.58 0 8000 - 1e-06 10200 8 235124.58 0 8000 - 1e-06 10300 8 235382.91 0 8000 - 1e-06 10400 8 235723.84 0 8000 - 1e-06 10500 8 236162.16 0 8000 - 1e-06 10600 8 236712.7 0 8000 - 1e-06 10700 8 237389.77 0 8000 - 1e-06 10800 8 238206.63 0 8000 - 1e-06 10900 8 239174.87 0 8000 - 1e-06 11000 8 240303.83 0 8000 - 1e-06 11100 8 241600.1 0 8000 - 1e-06 11200 8 243067 0 8000 - 1e-06 11300 8 244704.22 0 8000 - 1e-06 11400 8 246507.57 0 8000 - 1e-06 11500 8 248468.78 0 8000 - 1e-06 11600 8 250575.55 0 8000 - 1e-06 11700 8 252811.67 0 8000 - 1e-06 11800 6 201540.76 0 8000 - 1e-06 11900 6 203972.8 0 8000 - 1e-06 12000 6 206465.55 0 8000 - 1e-06 12100 6 208991.23 0 8000 - 1e-06 12200 6 211520.76 0 8000 - 1e-06 12300 6 214024.53 0 8000 - 1e-06 12400 6 216473.14 0 8000 - 1e-06 12500 6 218838.23 0 8000 - 1e-06 12600 6 221093.18 0 8000 - 1e-06 12700 6 223213.84 0 8000 - 1e-06 12800 6 225179.08 0 8000 - 1e-06 12900 6 226971.32 0 8000 - 1e-06 13000 6 228576.94 0 8000 - 1e-06 13100 6 229986.52 0 8000 - 1e-06 13200 6 231195.09 0 8000 - 1e-06 13300 6 232202.15 0 8000 - 1e-06 13400 6 233011.77 0 8000 - 1e-06 13500 6 233632.53 0 8000 - 1e-06 13600 6 234077.63 0 8000 - 1e-06 13700 6 234365.12 0 8000 - 1e-06 13800 6 234518.64 0 8000 - 1e-06 13900 6 234569.99 0 8000 - 1e-06 14000 6 234572.25 0 8000 - 1e-06 14100 6 234572.25 0 8000 - 1e-06 14200 6 234572.25 0 8000 - 1e-06 14300 6 234572.25 0 8000 - 1e-06 14400 6 234572.25 0 8000 - 1e-06 14500 6 234572.25 0 8000 - 1e-06 14600 6 234572.25 0 8000 - 1e-06 14700 6 234572.25 0 8000 - 1e-06 14800 6 234572.29 0 8000 - 1e-06 14900 6 234572.53 0 8000 - 1e-06 15000 6 234573.43 0 8000 - 1e-06 15100 6 234575.83 0 8000 - 1e-06 15200 6 234581.15 0 8000 - 1e-06 15300 6 234591.61 0 8000 - 1e-06 15400 6 234610.69 0 8000 - 1e-06 15500 6 234643.46 0 8000 - 1e-06 15600 6 234697 0 8000 - 1e-06 15700 6 234780.66 0 8000 - 1e-06 15800 6 234906.33 0 8000 - 1e-06 15900 6 235088.62 0 8000 - 1e-06 16000 6 235344.92 0 8000 - 1e-06 16100 6 235695.54 0 8000 - 1e-06 16200 6 236163.79 0 8000 - 1e-06 16300 6 236775.81 0 8000 - 1e-06 16400 6 237560.44 0 8000 - 1e-06 16500 6 238548.84 0 8000 - 1e-06 16600 6 239774.02 0 8000 - 1e-06 16700 6 241270.31 0 8000 - 1e-06 16800 6 243072.61 0 8000 - 1e-06 16900 6 245211.28 6.7509561e-05 8000 - 1e-06 17000 6 247685.18 0.0080448801 8000 - 1e-06 17100 6 250497.91 0.088500606 8000 - 1e-06 17200 6 253660.58 0.44413361 8000 - 1e-06 17300 6 257184.97 1.4994335 8000 - 1e-06 17400 6 261081.58 3.9820483 8000 - 1e-06 17500 6 265358.51 9.0005574 8000 - 1e-06 17600 6 270020.73 18.117195 8000 - 1e-06 17700 6 275069.6 33.413964 8000 - 1e-06 17800 6 280502.61 57.550525 8000 - 1e-06 17900 6 286303.62 93.814333 8000 - 1e-06 18000 6 292426.19 146.2099 8000 - 1e-06 18100 6 298823.02 219.66922 8000 - 1e-06 18200 6 305448.57 320.29091 8000 - 1e-06 18300 6 312257.06 455.50977 8000 - 1e-06 18400 6 319203.29 634.16436 8000 - 1e-06 18500 6 326243.62 866.44452 8000 - 1e-06 18600 6 333337.05 1163.7119 8000 - 1e-06 18700 6 340446.07 1538.1992 8000 - 1e-06 18800 6 347537.26 2002.6065 8000 - 1e-06 18900 6 354581.63 2569.6256 8000 - 1e-06 19000 6 361554.66 3251.4317 8000 - 1e-06 19100 6 368436.16 4059.1895 8000 - 1e-06 19200 6 375209.78 5002.6224 8000 - 1e-06 19300 6 381882.2 6109.6539 8000 - 1e-06 19400 6 388474.8 7416.2947 8000 - 1e-06 19500 6 395001.33 8944.9067 8000 - 1e-06 19600 6 401479.91 10717.67 8000 - 1e-06 19700 6 407931.4 12755.438 8000 - 1e-06 19800 6 414377.59 15076.566 8000 - 1e-06 19900 6 420839.43 17695.777 8000 - 1e-06 20000 6 427335.35 20623.111 8000 - 1e-06 20100 6 433879.62 23863.014 8000 - 1e-06 20200 6 440481.15 27413.577 8000 - 1e-06 20300 6 447142.48 31265.951 8000 - 1e-06 20400 6 453859.41 35403.784 8000 - 1e-06 20500 6 460622.17 39801.729 8000 - 1e-06 20600 6 467431.36 44452.106 8000 - 1e-06 20700 6 474330.29 49397.748 8000 - 1e-06 20800 6 481309.26 54624.638 8000 - 1e-06 20900 6 488358.84 60103.827 8000 - 1e-06 21000 6 495475.98 65790.173 8000 - 1e-06 21100 6 502655.34 71632.552 8000 - 1e-06 21200 6 509889.38 77576.424 8000 - 1e-06 21300 6 517172.66 83561.469 8000 - 1e-06 21400 6 524502.62 89522.951 8000 - 1e-06 21500 6 531876.86 95398.198 8000 - 1e-06 21600 6 539294.19 101129.04 8000 - 1e-06 21700 6 546755.8 106663.72 8000 - 1e-06 21800 6 554266.99 111958.45 8000 - 1e-06 21900 6 561839.98 116978.4 8000 - 1e-06 22000 6 569504.77 121698.15 8000 - 1e-06 22100 6 577194.68 126299.67 8000 - 1e-06 22200 6 584793.35 130939.81 8000 - 1e-06 22300 6 592287.59 135570.38 8000 - 1e-06 22400 6 599668.12 140143.02 8000 - 1e-06 22500 6 606930.15 144609.51 8000 - 1e-06 22600 6 614053.56 148921.72 8000 - 1e-06 22700 6 621008.46 153030.89 8000 - 1e-06 22800 6 627801.12 156883.57 8000 - 1e-06 22900 6 634468.16 160420.58 8000 - 1e-06 23000 6 640978.09 163613.12 8000 - 1e-06 23100 6 647287.63 166442.2 8000 - 1e-06 23200 6 653357.63 168893.16 8000 - 1e-06 23300 6 659133.28 170996.37 8000 - 1e-06 23400 6 664395.28 173122 8000 - 1e-06 23500 6 669082.71 175330.06 8000 - 1e-06 23600 6 673190.8 177582.02 8000 - 1e-06 23700 6 676722.56 179839.98 8000 - 1e-06 23800 6 679689.62 182067.03 8000 - 1e-06 23900 6 682113 184227.49 8000 - 1e-06 24000 6 684024.19 186286.94 8000 - 1e-06 24100 6 685466.31 188212.09 8000 - 1e-06 24200 6 686496.31 189970.05 8000 - 1e-06 24300 6 687194.14 191524.49 8000 - 1e-06 24400 6 687664.3 192834.65 8000 - 1e-06 24500 6 687952.12 193892.14 8000 - 1e-06 24600 6 688095.09 194698.81 8000 - 1e-06 24700 6 688136.6 195260.51 8000 - 1e-06 24800 6 688125.44 195586.96 8000 - 1e-06 24900 6 688096.3 195728.68 8000 - 1e-06 25000 6 687921.9 196064.13 8000 - 1e-06 25100 6 687620.45 196683.53 8000 - 1e-06 25200 6 687262.22 197578.87 8000 - 1e-06 25300 6 686921.27 198739.39 8000 - 1e-06 25400 6 686676.56 200150.16 8000 - 1e-06 25500 6 686616.59 201789.73 8000 - 1e-06 25600 6 686864.53 203620.41 8000 - 1e-06 25700 6 687515.07 205612.65 8000 - 1e-06 25800 6 688581.75 207765.95 8000 - 1e-06 25900 6 690068.86 210079.27 8000 - 1e-06 26000 6 691973.66 212549.89 8000 - 1e-06 26100 6 694286.34 215173.38 8000 - 1e-06 26200 6 696990.21 217943.63 8000 - 1e-06 26300 6 700062.02 220852.8 8000 - 1e-06 26400 6 703472.51 223891.43 8000 - 1e-06 26500 6 707187.07 227048.44 8000 - 1e-06 26600 6 711166.57 230311.27 8000 - 1e-06 26700 6 715368.28 233666 8000 - 1e-06 26800 6 719746.83 237097.44 8000 - 1e-06 26900 4 611074.01 219866.64 8000 - 1e-06 27000 4 613405.75 223401.9 8000 - 1e-06 27100 4 615906.25 226962.69 8000 - 1e-06 27200 4 618550.98 230530.7 8000 - 1e-06 27300 4 621314.15 234087.34 8000 - 1e-06 27400 4 624169.04 237613.98 8000 - 1e-06 27500 4 627088.41 241092.16 8000 - 1e-06 27600 4 630045.27 244503.29 8000 - 1e-06 27700 4 633017.68 247822.39 8000 - 1e-06 27800 4 635987.37 251019.87 8000 - 1e-06 27900 4 638936.67 254066.27 8000 - 1e-06 28000 4 641848.81 256932.77 8000 - 1e-06 28100 4 644708.19 259591.65 8000 - 1e-06 28200 4 647500.76 262016.69 8000 - 1e-06 28300 4 650214.19 264183.55 8000 - 1e-06 28400 4 652838.21 266070.17 8000 - 1e-06 28500 4 655364.7 267657.12 8000 - 1e-06 28600 4 657787.94 268927.87 8000 - 1e-06 28700 4 660104.66 269869.08 8000 - 1e-06 28800 4 662314.19 270470.82 8000 - 1e-06 28900 4 664418.47 270726.71 8000 - 1e-06 29000 4 666422.08 270634.03 8000 - 1e-06 29100 4 668332.27 270193.77 8000 - 1e-06 29200 4 670133.21 269455.46 8000 - 1e-06 29300 4 671623.88 268795.91 8000 - 1e-06 29400 4 672777.96 268288.08 8000 - 1e-06 29500 4 673622.53 267917.97 8000 - 1e-06 29600 4 674189.83 267670.08 8000 - 1e-06 29700 4 674518.57 267526.71 8000 - 1e-06 29800 4 674657.04 267466.37 8000 - 1e-06 29900 4 674676.17 267458.04 8000 - 1e-06 30000 4 674676.17 267458.04 8000 - 1e-06 30100 4 674676.17 267458.04 8000 - 1e-06 30200 2 304425.26 84084.197 8000 - 1e-06 30300 2 304425.26 84084.197 8000 - 1e-06 30400 2 304425.26 84084.197 8000 - 1e-06 30500 2 304425.26 84084.197 8000 - 1e-06 30600 2 304425.26 84084.197 8000 - 1e-06 30700 2 304425.26 84084.197 8000 - 1e-06 30800 2 304425.26 84084.197 8000 - 1e-06 30900 2 304425.26 84084.197 8000 - 1e-06 31000 2 304425.26 84084.197 8000 - 1e-06 31100 2 304425.26 84084.197 8000 - 1e-06 31200 2 304425.26 84084.197 8000 - 1e-06 31300 2 304425.26 84084.197 8000 - 1e-06 31400 2 304425.26 84084.197 8000 - 1e-06 31500 2 304425.26 84084.197 8000 - 1e-06 31600 2 304425.26 84084.197 8000 - 1e-06 31700 2 304425.26 84084.197 8000 - 1e-06 31800 2 304425.26 84084.197 8000 - 1e-06 31900 2 304425.26 84084.197 8000 - 1e-06 32000 2 304425.26 84084.197 8000 - 1e-06 32100 2 304425.26 84084.197 8000 - 1e-06 32200 2 304425.26 84084.197 8000 - 1e-06 32300 2 304425.26 84084.197 8000 - 1e-06 32400 2 304425.26 84084.197 8000 - 1e-06 32500 2 304425.26 84084.197 8000 - 1e-06 32600 2 304425.26 84084.197 8000 - 1e-06 32700 2 304425.26 84084.197 8000 - 1e-06 32800 2 304425.26 84084.197 8000 - 1e-06 32900 2 304425.26 84084.197 8000 - 1e-06 33000 2 304425.26 84084.197 8000 - 1e-06 33100 2 304425.26 84084.197 8000 - 1e-06 33200 2 304425.26 84084.197 8000 - 1e-06 33300 2 304425.26 84084.197 8000 - 1e-06 33400 2 304425.26 84084.197 8000 - 1e-06 33500 2 304425.26 84084.197 8000 - 1e-06 33600 2 304425.26 84084.197 8000 - 1e-06 33700 2 304425.26 84084.197 8000 - 1e-06 33800 2 304425.26 84084.197 8000 - 1e-06 33900 2 304425.26 84084.197 8000 - 1e-06 34000 2 304419.46 84084.197 8000 - 1e-06 34100 2 304377.55 84084.224 8000 - 1e-06 34200 2 304278.4 84084.45 8000 - 1e-06 34300 2 304108.46 84085.385 8000 - 1e-06 34400 2 303858.22 84088.048 8000 - 1e-06 34500 2 303521.62 84094.139 8000 - 1e-06 34600 2 303095.91 84106.182 8000 - 1e-06 34700 2 302581.78 84127.634 8000 - 1e-06 34800 2 301983.37 84162.962 8000 - 1e-06 34900 2 301308.35 84217.674 8000 - 1e-06 35000 2 300567.85 84298.29 8000 - 1e-06 35100 2 299776.31 84412.267 8000 - 1e-06 35200 2 298951.17 84567.862 8000 - 1e-06 35300 2 298112.52 84773.935 8000 - 1e-06 35400 2 297282.57 85039.703 8000 - 1e-06 35500 2 296485.02 85374.448 8000 - 1e-06 35600 2 295744.34 85787.18 8000 - 1e-06 35700 2 295085 86286.286 8000 - 1e-06 35800 2 294530.68 86879.159 8000 - 1e-06 35900 0 0 0 8000 - 1e-06 36000 0 0 0 8000 - 1e-06 36100 0 0 0 8000 - 1e-06 36200 0 0 0 8000 - 1e-06 36300 0 0 0 8000 - 1e-06 36400 0 0 0 8000 - 1e-06 36500 0 0 0 8000 - 1e-06 36600 0 0 0 8000 - 1e-06 36700 0 0 0 8000 - 1e-06 36800 0 0 0 8000 - 1e-06 36900 0 0 0 8000 - 1e-06 37000 0 0 0 8000 - 1e-06 37100 0 0 0 8000 - 1e-06 37200 0 0 0 8000 - 1e-06 37300 0 0 0 8000 - 1e-06 37400 0 0 0 8000 - 1e-06 37500 0 0 0 8000 - 1e-06 37600 0 0 0 8000 - 1e-06 37700 0 0 0 8000 - 1e-06 37800 0 0 0 8000 - 1e-06 37900 0 0 0 8000 - 1e-06 38000 0 0 0 8000 - 1e-06 38100 0 0 0 8000 - 1e-06 38200 0 0 0 8000 - 1e-06 38300 0 0 0 8000 - 1e-06 38400 0 0 0 8000 - 1e-06 38500 0 0 0 8000 - 1e-06 38600 0 0 0 8000 - 1e-06 38700 0 0 0 8000 - 1e-06 38800 0 0 0 8000 - 1e-06 38900 0 0 0 8000 - 1e-06 39000 0 0 0 8000 - 1e-06 39100 0 0 0 8000 - 1e-06 39200 0 0 0 8000 - 1e-06 39300 0 0 0 8000 - 1e-06 39400 0 0 0 8000 - 1e-06 39500 0 0 0 8000 - 1e-06 39600 0 0 0 8000 - 1e-06 39700 0 0 0 8000 - 1e-06 39800 0 0 0 8000 - 1e-06 39900 0 0 0 8000 - 1e-06 40000 0 0 0 8000 - 1e-06 40100 0 0 0 8000 - 1e-06 40200 0 0 0 8000 - 1e-06 40300 0 0 0 8000 - 1e-06 40400 0 0 0 8000 - 1e-06 40500 0 0 0 8000 - 1e-06 40600 0 0 0 8000 - 1e-06 40700 0 0 0 8000 - 1e-06 40800 0 0 0 8000 - 1e-06 40900 0 0 0 8000 - 1e-06 41000 0 0 0 8000 - 1e-06 41100 0 0 0 8000 - 1e-06 41200 0 0 0 8000 - 1e-06 41300 0 0 0 8000 - 1e-06 41400 0 0 0 8000 - 1e-06 41500 0 0 0 8000 - 1e-06 41600 0 0 0 8000 - 1e-06 41700 0 0 0 8000 - 1e-06 41800 0 0 0 8000 - 1e-06 41900 0 0 0 8000 - 1e-06 42000 0 0 0 8000 - 1e-06 42100 0 0 0 8000 - 1e-06 42200 0 0 0 8000 - 1e-06 42300 0 0 0 8000 - 1e-06 42400 0 0 0 8000 - 1e-06 42500 0 0 0 8000 - 1e-06 42600 0 0 0 8000 - 1e-06 42700 0 0 0 8000 - 1e-06 42800 0 0 0 8000 - 1e-06 42900 0 0 0 8000 - 1e-06 43000 0 0 0 8000 - 1e-06 43100 0 0 0 8000 - 1e-06 43200 0 0 0 8000 - 1e-06 43300 0 0 0 8000 - 1e-06 43400 0 0 0 8000 - 1e-06 43500 0 0 0 8000 - 1e-06 43600 0 0 0 8000 - 1e-06 43700 0 0 0 8000 - 1e-06 43800 0 0 0 8000 - 1e-06 43900 0 0 0 8000 - 1e-06 44000 0 0 0 8000 - 1e-06 44100 0 0 0 8000 - 1e-06 44200 0 0 0 8000 - 1e-06 44300 0 0 0 8000 - 1e-06 44400 0 0 0 8000 - 1e-06 44500 0 0 0 8000 - 1e-06 44600 0 0 0 8000 - 1e-06 44700 0 0 0 8000 - 1e-06 44800 0 0 0 8000 - 1e-06 44900 0 0 0 8000 - 1e-06 45000 0 0 0 8000 - 1e-06 45100 0 0 0 8000 - 1e-06 45200 0 0 0 8000 - 1e-06 45300 0 0 0 8000 - 1e-06 45400 0 0 0 8000 - 1e-06 45500 0 0 0 8000 - 1e-06 45600 0 0 0 8000 - 1e-06 45700 0 0 0 8000 - 1e-06 45800 0 0 0 8000 - 1e-06 45900 0 0 0 8000 - 1e-06 46000 0 0 0 8000 - 1e-06 46100 0 0 0 8000 - 1e-06 46200 0 0 0 8000 - 1e-06 46300 0 0 0 8000 - 1e-06 46400 0 0 0 8000 - 1e-06 46500 0 0 0 8000 - 1e-06 46600 0 0 0 8000 - 1e-06 46700 0 0 0 8000 - 1e-06 46800 0 0 0 8000 - 1e-06 46900 0 0 0 8000 - 1e-06 47000 0 0 0 8000 - 1e-06 47100 0 0 0 8000 - 1e-06 47200 0 0 0 8000 - 1e-06 47300 0 0 0 8000 - 1e-06 47400 0 0 0 8000 - 1e-06 47500 0 0 0 8000 - 1e-06 47600 0 0 0 8000 - 1e-06 47700 0 0 0 8000 - 1e-06 47800 0 0 0 8000 - 1e-06 47900 0 0 0 8000 - 1e-06 48000 0 0 0 8000 - 1e-06 48100 0 0 0 8000 - 1e-06 48200 0 0 0 8000 - 1e-06 48300 0 0 0 8000 - 1e-06 48400 0 0 0 8000 - 1e-06 48500 0 0 0 8000 - 1e-06 48600 0 0 0 8000 - 1e-06 48700 0 0 0 8000 - 1e-06 48800 0 0 0 8000 - 1e-06 48900 0 0 0 8000 - 1e-06 49000 0 0 0 8000 - 1e-06 49100 0 0 0 8000 - 1e-06 49200 0 0 0 8000 - 1e-06 49300 0 0 0 8000 - 1e-06 49400 0 0 0 8000 - 1e-06 49500 0 0 0 8000 - 1e-06 49600 0 0 0 8000 - 1e-06 49700 0 0 0 8000 - 1e-06 49800 0 0 0 8000 - 1e-06 49900 0 0 0 8000 -Loop time of 0.419125 on 1 procs for 49900 steps with 0 atoms + 1e-06 100 12 0.37627896 0 8000 + 1e-06 200 12 4.1791248 0 8000 + 1e-06 300 12 14.842751 0 8000 + 1e-06 400 12 36.772259 0 8000 + 1e-06 500 12 77.630616 0 8000 + 1e-06 600 12 145.73848 0 8000 + 1e-06 700 12 250.50491 0 8000 + 1e-06 800 12 402.70153 0 8000 + 1e-06 900 12 614.51551 0 8000 + 1e-06 1000 12 899.53232 0 8000 + 1e-06 1100 12 1272.6697 0 8000 + 1e-06 1200 12 1750.0701 0 8000 + 1e-06 1300 12 2348.9536 0 8000 + 1e-06 1400 12 3087.4362 0 8000 + 1e-06 1500 12 3984.3134 0 8000 + 1e-06 1600 12 5058.8155 0 8000 + 1e-06 1700 12 6330.3362 0 8000 + 1e-06 1800 12 7818.1411 0 8000 + 1e-06 1900 12 9541.0592 0 8000 + 1e-06 2000 12 11498.791 0.0047810266 8000 + 1e-06 2100 12 13704.573 0.10811492 8000 + 1e-06 2200 12 16174.974 0.63000368 8000 + 1e-06 2300 12 18921.112 2.1626376 8000 + 1e-06 2400 12 21953.925 5.2698517 8000 + 1e-06 2500 12 25281.497 10.484444 8000 + 1e-06 2600 12 28908.645 18.482248 8000 + 1e-06 2700 12 32837.664 30.036339 8000 + 1e-06 2800 12 37068.237 46.017479 8000 + 1e-06 2900 12 41597.382 67.391786 8000 + 1e-06 3000 12 46419.434 95.215596 8000 + 1e-06 3100 12 51526.06 130.62752 8000 + 1e-06 3200 12 56906.565 174.8377 8000 + 1e-06 3300 12 62550.059 229.11444 8000 + 1e-06 3400 12 68444.395 294.66357 8000 + 1e-06 3500 12 74576.632 372.08886 8000 + 1e-06 3600 12 80933.178 461.43595 8000 + 1e-06 3700 12 87499.829 562.23674 8000 + 1e-06 3800 12 94261.901 673.47838 8000 + 1e-06 3900 12 101204.31 793.60705 8000 + 1e-06 4000 12 108311.58 920.56829 8000 + 1e-06 4100 12 115567.86 1051.8828 8000 + 1e-06 4200 12 122956.81 1184.754 8000 + 1e-06 4300 12 130461.5 1316.2004 8000 + 1e-06 4400 12 138064.33 1443.2052 8000 + 1e-06 4500 12 145746.82 1562.8719 8000 + 1e-06 4600 12 153422.95 1670.3394 8000 + 1e-06 4700 12 161051.84 1763.0999 8000 + 1e-06 4800 12 168667.52 1842.4996 8000 + 1e-06 4900 12 176255.36 1908.409 8000 + 1e-06 5000 12 183795.82 1961.1714 8000 + 1e-06 5100 12 191266.94 2001.7002 8000 + 1e-06 5200 12 198645 2031.4642 8000 + 1e-06 5300 12 205905.03 2052.4189 8000 + 1e-06 5400 12 213021.06 2066.906 8000 + 1e-06 5500 12 219828.33 2076.3201 8000 + 1e-06 5600 12 226088.26 2080.385 8000 + 1e-06 5700 12 231986.18 2088.93 8000 + 1e-06 5800 12 237570.94 2108.0119 8000 + 1e-06 5900 12 242837.17 2141.5471 8000 + 1e-06 6000 12 247775.44 2192.6781 8000 + 1e-06 6100 12 252375.51 2263.7885 8000 + 1e-06 6200 12 256627.89 2356.5013 8000 + 1e-06 6300 12 260524.71 2471.6922 8000 + 1e-06 6400 12 264060.29 2609.528 8000 + 1e-06 6500 12 267231.53 2769.5274 8000 + 1e-06 6600 12 270038.2 2950.6395 8000 + 1e-06 6700 12 272483.11 3151.335 8000 + 1e-06 6800 12 274572.24 3369.7006 8000 + 1e-06 6900 12 276314.75 3603.531 8000 + 1e-06 7000 12 277722.99 3850.4128 8000 + 1e-06 7100 12 278812.52 4107.7948 8000 + 1e-06 7200 12 279602.05 4373.0439 8000 + 1e-06 7300 12 280113.55 4643.4856 8000 + 1e-06 7400 12 280372.7 4916.43 8000 + 1e-06 7500 12 280411.71 5189.1887 8000 + 1e-06 7600 12 280270.18 5459.0844 8000 + 1e-06 7700 12 279999.69 5723.4596 8000 + 1e-06 7800 12 279696.94 5979.6896 8000 + 1e-06 7900 12 279705.93 6225.2029 8000 + 1e-06 8000 12 279677 6457.5689 8000 + 1e-06 8100 12 279607.39 6683.3974 8000 + 1e-06 8200 12 279535.86 6906.911 8000 + 1e-06 8300 12 279515.96 7125.9155 8000 + 1e-06 8400 12 279726.3 7338.4626 8000 + 1e-06 8500 12 279905.61 7528.2253 8000 + 1e-06 8600 12 279994.55 7695.3391 8000 + 1e-06 8700 12 280109.97 7846.4954 8000 + 1e-06 8800 12 280280.9 7992.1243 8000 + 1e-06 8900 12 280526.73 8146.1487 8000 + 1e-06 9000 12 280875.16 8309.0778 8000 + 1e-06 9100 12 281361.17 8473.1301 8000 + 1e-06 9200 12 282015.74 8638.5101 8000 + 1e-06 9300 12 282868.61 8807.2007 8000 + 1e-06 9400 12 283949.43 8980.8606 8000 + 1e-06 9500 12 285287.01 9160.6973 8000 + 1e-06 9600 12 286908.48 9347.3851 8000 + 1e-06 9700 12 288808.95 9540.3891 8000 + 1e-06 9800 12 291008.88 9739.3515 8000 + 1e-06 9900 12 293533.31 9944.1548 8000 + 1e-06 10000 12 296392.46 10153.993 8000 + 1e-06 10100 12 299589.23 10366.149 8000 + 1e-06 10200 12 303120.5 10580.26 8000 + 1e-06 10300 12 306976.5 10797.104 8000 + 1e-06 10400 12 311140.59 11018.1 8000 + 1e-06 10500 12 315589.46 11245.316 8000 + 1e-06 10600 12 320293.56 11481.375 8000 + 1e-06 10700 12 325217.67 11729.284 8000 + 1e-06 10800 12 330321.65 11992.189 8000 + 1e-06 10900 12 335561.34 12273.086 8000 + 1e-06 11000 12 340889.49 12574.505 8000 + 1e-06 11100 12 346256.88 12898.214 8000 + 1e-06 11200 12 351613.36 13244.969 8000 + 1e-06 11300 12 356921.74 13613.584 8000 + 1e-06 11400 12 362263.57 14000.802 8000 + 1e-06 11500 12 367685.46 14407.905 8000 + 1e-06 11600 12 373173.46 14833.769 8000 + 1e-06 11700 12 378713.19 15276.703 8000 + 1e-06 11800 12 384258.42 15728.278 8000 + 1e-06 11900 12 389798.27 16183.88 8000 + 1e-06 12000 12 395067.85 16636.846 8000 + 1e-06 12100 12 400198.63 17088.171 8000 + 1e-06 12200 12 405211.55 17537.364 8000 + 1e-06 12300 12 410112.47 17984.343 8000 + 1e-06 12400 12 414906.33 18429.831 8000 + 1e-06 12500 12 419598.71 18875.613 8000 + 1e-06 12600 12 424192.44 19324.904 8000 + 1e-06 12700 12 428565.91 19783.784 8000 + 1e-06 12800 12 432825.92 20255.392 8000 + 1e-06 12900 12 437005.65 20738.975 8000 + 1e-06 13000 12 441133.84 21226.416 8000 + 1e-06 13100 12 445218.44 21720.281 8000 + 1e-06 13200 12 449263.02 22225.116 8000 + 1e-06 13300 12 453268.59 22746.27 8000 + 1e-06 13400 12 457229.62 23288.917 8000 + 1e-06 13500 12 461141.35 23859.236 8000 + 1e-06 13600 12 464999.54 24464.127 8000 + 1e-06 13700 12 468798.7 25110.47 8000 + 1e-06 13800 12 472500.62 25806.135 8000 + 1e-06 13900 12 476074.74 26564.004 8000 + 1e-06 14000 12 479545.35 27389.059 8000 + 1e-06 14100 12 482914.85 28284.54 8000 + 1e-06 14200 12 486185.47 29252.687 8000 + 1e-06 14300 12 489361.15 30294.757 8000 + 1e-06 14400 12 492273.69 31409.091 8000 + 1e-06 14500 12 494514.18 32573.659 8000 + 1e-06 14600 12 496511.76 33785.467 8000 + 1e-06 14700 12 498362.32 35051.794 8000 + 1e-06 14800 12 500126.95 36382.324 8000 + 1e-06 14900 12 501872.73 37788.434 8000 + 1e-06 15000 12 503658.95 39269.921 8000 + 1e-06 15100 12 505524.32 40815.737 8000 + 1e-06 15200 12 507507.74 42410.397 8000 + 1e-06 15300 12 509052.44 44020.642 8000 + 1e-06 15400 12 510424.85 45607.21 8000 + 1e-06 15500 12 511477.14 47150.907 8000 + 1e-06 15600 12 511930.85 48638.383 8000 + 1e-06 15700 12 512124.38 50030.203 8000 + 1e-06 15800 12 512194.05 51293.423 8000 + 1e-06 15900 12 512175.22 52402.955 8000 + 1e-06 16000 12 512095.42 53340.637 8000 + 1e-06 16100 12 511970.22 54097.278 8000 + 1e-06 16200 12 511797.58 54671.217 8000 + 1e-06 16300 12 511596.19 55067.665 8000 + 1e-06 16400 12 511390.31 55298.281 8000 + 1e-06 16500 12 511203.2 55383.204 8000 + 1e-06 16600 12 511056.43 55352.575 8000 + 1e-06 16700 12 510973.55 55240.989 8000 + 1e-06 16800 12 510979.82 55085.771 8000 + 1e-06 16900 12 511018.94 54944.912 8000 + 1e-06 17000 12 510839.23 54871.084 8000 + 1e-06 17100 12 510670.95 54882.14 8000 + 1e-06 17200 12 510592.26 55012.23 8000 + 1e-06 17300 12 510473.65 55293.657 8000 + 1e-06 17400 12 509821.33 55718.974 8000 + 1e-06 17500 12 508425.2 56251.107 8000 + 1e-06 17600 12 506922.69 56913.254 8000 + 1e-06 17700 12 505432.36 57751.093 8000 + 1e-06 17800 12 504007.07 58820.863 8000 + 1e-06 17900 12 502565.91 60215.42 8000 + 1e-06 18000 12 501138.89 61987.521 8000 + 1e-06 18100 12 499028.8 64137.707 8000 + 1e-06 18200 12 493241.81 66656.007 8000 + 1e-06 18300 12 486709.22 69522.002 8000 + 1e-06 18400 12 480004.21 72703.075 8000 + 1e-06 18500 12 473373.17 76162.035 8000 + 1e-06 18600 12 466967.02 79858.627 8000 + 1e-06 18700 12 460896.76 83749.858 8000 + 1e-06 18800 12 455246.73 87789.78 8000 + 1e-06 18900 12 450058.54 91935.918 8000 + 1e-06 19000 12 445381.99 96175.252 8000 + 1e-06 19100 12 441278.15 100523.08 8000 + 1e-06 19200 12 437763.14 104946.19 8000 + 1e-06 19300 12 434836.79 109405.67 8000 + 1e-06 19400 12 432488.77 113863.34 8000 + 1e-06 19500 12 430699.83 118281.43 8000 + 1e-06 19600 12 429442.98 122622.26 8000 + 1e-06 19700 12 428684.66 126847.95 8000 + 1e-06 19800 12 428328.48 130917.63 8000 + 1e-06 19900 12 428196.55 134775.59 8000 + 1e-06 20000 12 427597.88 138354.14 8000 + 1e-06 20100 12 425748.44 141440.79 8000 + 1e-06 20200 12 423827.82 143975.56 8000 + 1e-06 20300 12 422029.53 145951.68 8000 + 1e-06 20400 12 420416.81 147364.79 8000 + 1e-06 20500 12 419027.95 148273.8 8000 + 1e-06 20600 12 417858.85 148716.68 8000 + 1e-06 20700 12 416878.1 148666.56 8000 + 1e-06 20800 12 416057.47 148096.03 8000 + 1e-06 20900 12 415366.73 146981.92 8000 + 1e-06 21000 12 414775.28 145311.94 8000 + 1e-06 21100 12 414254.77 143086.56 8000 + 1e-06 21200 12 413734.06 140320.07 8000 + 1e-06 21300 12 412373.7 137040.42 8000 + 1e-06 21400 12 410695.21 133289.46 8000 + 1e-06 21500 12 408430.75 129131.69 8000 + 1e-06 21600 12 405927.7 124609.43 8000 + 1e-06 21700 12 403251.27 119786.82 8000 + 1e-06 21800 12 400435.71 114740.64 8000 + 1e-06 21900 12 397484.88 109586.68 8000 + 1e-06 22000 12 394308.48 104582.2 8000 + 1e-06 22100 12 390933.42 99878.117 8000 + 1e-06 22200 12 387369.16 95602.908 8000 + 1e-06 22300 12 383599.37 91871.749 8000 + 1e-06 22400 12 379598.34 88800.942 8000 + 1e-06 22500 12 375344.08 86475.879 8000 + 1e-06 22600 12 370860.89 84903.263 8000 + 1e-06 22700 12 366151.23 84105.325 8000 + 1e-06 22800 12 361209.31 84104.321 8000 + 1e-06 22900 12 356040.22 84897.625 8000 + 1e-06 23000 12 350662.58 86460.188 8000 + 1e-06 23100 12 345116.82 88752.422 8000 + 1e-06 23200 12 339495.95 91790.621 8000 + 1e-06 23300 12 333687.3 95431.883 8000 + 1e-06 23400 12 327700.18 99552.952 8000 + 1e-06 23500 12 321587.6 104041.28 8000 + 1e-06 23600 12 315413.29 108778.56 8000 + 1e-06 23700 12 309232.19 113641.68 8000 + 1e-06 23800 12 303140 118515.28 8000 + 1e-06 23900 12 297243.14 123286.42 8000 + 1e-06 24000 12 291647.45 127852.5 8000 + 1e-06 24100 12 286443.56 132128.25 8000 + 1e-06 24200 12 281738.47 136042.29 8000 + 1e-06 24300 12 277598.16 139537.18 8000 + 1e-06 24400 12 274126.59 142570.51 8000 + 1e-06 24500 12 271212.37 145112.95 8000 + 1e-06 24600 12 268528.37 147123.47 8000 + 1e-06 24700 12 266518.1 148576.54 8000 + 1e-06 24800 12 265271.22 149482.64 8000 + 1e-06 24900 12 264825.89 149868.7 8000 + 1e-06 25000 12 265195.27 149778.11 8000 + 1e-06 25100 12 266383.27 149277.13 8000 + 1e-06 25200 12 268349.03 148416.99 8000 + 1e-06 25300 12 270306.65 147210.83 8000 + 1e-06 25400 12 272540.67 145679.8 8000 + 1e-06 25500 12 275074.7 143905.2 8000 + 1e-06 25600 12 277868.98 141980.52 8000 + 1e-06 25700 12 280861.82 139998.04 8000 + 1e-06 25800 12 283988.43 138050.21 8000 + 1e-06 25900 12 287187.75 136227 8000 + 1e-06 26000 12 290378.71 134578.07 8000 + 1e-06 26100 12 293523.52 133120.1 8000 + 1e-06 26200 12 296607.69 131949.25 8000 + 1e-06 26300 12 299624.93 131155.87 8000 + 1e-06 26400 12 302615.41 130771.8 8000 + 1e-06 26500 12 305572.83 130791.04 8000 + 1e-06 26600 12 308487.65 131181.94 8000 + 1e-06 26700 12 311349.47 131876.78 8000 + 1e-06 26800 12 314152.42 132778.86 8000 + 1e-06 26900 12 316889.29 133767.68 8000 + 1e-06 27000 12 319555.95 134708.52 8000 + 1e-06 27100 12 322120.91 135461.05 8000 + 1e-06 27200 12 324555.84 135890.05 8000 + 1e-06 27300 12 326829.66 135875.78 8000 + 1e-06 27400 12 328889.23 135312.91 8000 + 1e-06 27500 12 330281.69 133716.24 8000 + 1e-06 27600 12 329638.28 131054.91 8000 + 1e-06 27700 12 328037.36 127321.07 8000 + 1e-06 27800 12 325917.33 122660.17 8000 + 1e-06 27900 12 323405.93 117289.76 8000 + 1e-06 28000 12 320546.78 111541.78 8000 + 1e-06 28100 12 317368.1 105721.12 8000 + 1e-06 28200 12 313916.1 100042.75 8000 + 1e-06 28300 12 310233.7 94704.867 8000 + 1e-06 28400 12 306354.19 89876.573 8000 + 1e-06 28500 12 302311.92 85693.914 8000 + 1e-06 28600 12 298136.83 82229.878 8000 + 1e-06 28700 12 293861.39 79475.257 8000 + 1e-06 28800 12 289522.82 77321.299 8000 + 1e-06 28900 12 285166.39 75606.038 8000 + 1e-06 29000 12 280832.9 74150.094 8000 + 1e-06 29100 12 276597.93 72751.053 8000 + 1e-06 29200 12 272488.85 71238.957 8000 + 1e-06 29300 12 268566.35 69513.495 8000 + 1e-06 29400 12 264945.51 67531.391 8000 + 1e-06 29500 12 261654.36 65280.325 8000 + 1e-06 29600 12 258609.63 62770.995 8000 + 1e-06 29700 12 255839.5 60094.223 8000 + 1e-06 29800 12 253400.35 57359.541 8000 + 1e-06 29900 12 251293.26 54686.718 8000 + 1e-06 30000 12 249489.3 52206.293 8000 + 1e-06 30100 12 247933.05 50046.862 8000 + 1e-06 30200 12 246671.31 48361.721 8000 + 1e-06 30300 12 245727.43 47234.492 8000 + 1e-06 30400 12 245089.53 46668.443 8000 + 1e-06 30500 12 244732.88 46634.46 8000 + 1e-06 30600 12 244634.04 47078.65 8000 + 1e-06 30700 12 244776.41 47932.487 8000 + 1e-06 30800 12 245144.95 49123.892 8000 + 1e-06 30900 12 245702.52 50587.15 8000 + 1e-06 31000 12 246438.58 52268.799 8000 + 1e-06 31100 12 247320.85 54174.572 8000 + 1e-06 31200 12 248299.92 56314.047 8000 + 1e-06 31300 12 249329.77 58655.775 8000 + 1e-06 31400 12 250368.76 61154.112 8000 + 1e-06 31500 12 251379.78 63756.764 8000 + 1e-06 31600 12 252311.71 66409.538 8000 + 1e-06 31700 12 252527.59 69055.013 8000 + 1e-06 31800 12 252438.03 71645.91 8000 + 1e-06 31900 12 252149.26 74149.007 8000 + 1e-06 32000 12 251697.31 76539.619 8000 + 1e-06 32100 12 251102.37 78801.8 8000 + 1e-06 32200 12 250377.5 80923.81 8000 + 1e-06 32300 12 249388.7 82875.3 8000 + 1e-06 32400 12 248054.75 84570.827 8000 + 1e-06 32500 12 246510.48 85977.951 8000 + 1e-06 32600 12 244788.85 87069.778 8000 + 1e-06 32700 12 242926.09 87820.435 8000 + 1e-06 32800 12 240951.82 88208.457 8000 + 1e-06 32900 12 238923.34 88216.633 8000 + 1e-06 33000 12 236972.84 87811.784 8000 + 1e-06 33100 12 235176.94 86991.249 8000 + 1e-06 33200 12 233594.14 85783.149 8000 + 1e-06 33300 12 232256.48 84231.2 8000 + 1e-06 33400 12 231063.68 82397.369 8000 + 1e-06 33500 12 229814.73 80366.279 8000 + 1e-06 33600 12 228715.08 78221.16 8000 + 1e-06 33700 12 227846.27 76046.828 8000 + 1e-06 33800 12 227241.85 73932.693 8000 + 1e-06 33900 12 226942.55 71944.948 8000 + 1e-06 34000 12 226979.34 70148.331 8000 + 1e-06 34100 12 227374.73 68624.913 8000 + 1e-06 34200 12 228140.68 67389 8000 + 1e-06 34300 12 229286.23 66436.221 8000 + 1e-06 34400 12 230818.8 65748.265 8000 + 1e-06 34500 12 232718.67 65274.126 8000 + 1e-06 34600 12 234956.45 64949.901 8000 + 1e-06 34700 12 237495.47 64705.586 8000 + 1e-06 34800 12 240298.79 64471.768 8000 + 1e-06 34900 12 243327.46 64186.278 8000 + 1e-06 35000 12 246540.11 63799.369 8000 + 1e-06 35100 12 249891.89 63272.741 8000 + 1e-06 35200 12 253331.8 62590.115 8000 + 1e-06 35300 12 256810.15 61755.192 8000 + 1e-06 35400 12 260282.81 60790.037 8000 + 1e-06 35500 12 263711.24 59733.295 8000 + 1e-06 35600 12 267063.76 58636.285 8000 + 1e-06 35700 12 270321.08 57558.359 8000 + 1e-06 35800 12 273471.7 56562.046 8000 + 1e-06 35900 12 276025.36 55655.191 8000 + 1e-06 36000 12 277671.27 54780.068 8000 + 1e-06 36100 12 278702.08 54044.977 8000 + 1e-06 36200 12 279135.29 53482.141 8000 + 1e-06 36300 12 278950.85 53096.328 8000 + 1e-06 36400 12 278091.84 52852.785 8000 + 1e-06 36500 12 276595.93 52726.318 8000 + 1e-06 36600 12 274484.66 52702.496 8000 + 1e-06 36700 12 271787.05 52743.065 8000 + 1e-06 36800 12 268570.57 52802.129 8000 + 1e-06 36900 12 264883.91 52837.56 8000 + 1e-06 37000 12 260770.78 52813.294 8000 + 1e-06 37100 12 256294.93 52703.248 8000 + 1e-06 37200 12 251520.81 52496.031 8000 + 1e-06 37300 12 246514.92 52198.643 8000 + 1e-06 37400 12 241336.35 51838.499 8000 + 1e-06 37500 12 236051.19 51466.475 8000 + 1e-06 37600 12 230530.99 51158.037 8000 + 1e-06 37700 12 224831.9 51005.878 8000 + 1e-06 37800 12 219195 51087.112 8000 + 1e-06 37900 12 213774.51 51464.55 8000 + 1e-06 38000 12 208719.8 52178.179 8000 + 1e-06 38100 12 204173.16 53238.452 8000 + 1e-06 38200 12 200268.52 54621.477 8000 + 1e-06 38300 12 197150.81 56266.704 8000 + 1e-06 38400 12 194900.92 58092.885 8000 + 1e-06 38500 12 193569.8 59999.47 8000 + 1e-06 38600 12 193173.44 61875.452 8000 + 1e-06 38700 12 193689.15 63611.808 8000 + 1e-06 38800 12 195056.93 65114.049 8000 + 1e-06 38900 12 197179.13 66310.945 8000 + 1e-06 39000 12 199964.06 67173.129 8000 + 1e-06 39100 12 203313.78 67704.561 8000 + 1e-06 39200 12 206537.34 67923.159 8000 + 1e-06 39300 12 209698.91 67870.023 8000 + 1e-06 39400 12 212990.74 67598.734 8000 + 1e-06 39500 12 216350.18 67172.426 8000 + 1e-06 39600 12 219678.83 66655.657 8000 + 1e-06 39700 12 222844.21 66084.261 8000 + 1e-06 39800 12 225879.54 65489.967 8000 + 1e-06 39900 12 228750 64901.658 8000 + 1e-06 40000 12 231432.52 64333.74 8000 + 1e-06 40100 12 233916.24 63787.895 8000 + 1e-06 40200 12 236200.24 63256.3 8000 + 1e-06 40300 12 238290.68 62725.161 8000 + 1e-06 40400 12 240198.17 62177.851 8000 + 1e-06 40500 12 241937.05 61597.51 8000 + 1e-06 40600 12 243521.73 60967.618 8000 + 1e-06 40700 12 244888.47 60271.31 8000 + 1e-06 40800 12 245447.64 59435.777 8000 + 1e-06 40900 12 245685.9 58426.609 8000 + 1e-06 41000 12 245713.15 57255.612 8000 + 1e-06 41100 12 245574.53 55939.057 8000 + 1e-06 41200 12 245295.74 54497.409 8000 + 1e-06 41300 12 244893.38 52955.91 8000 + 1e-06 41400 12 244382.52 51349.735 8000 + 1e-06 41500 12 243831.69 49814.42 8000 + 1e-06 41600 12 243254.37 48400.984 8000 + 1e-06 41700 12 242477.85 47069.283 8000 + 1e-06 41800 12 241513.72 45827.072 8000 + 1e-06 41900 12 239756.07 44524.57 8000 + 1e-06 42000 12 237373.8 43055.987 8000 + 1e-06 42100 12 234744.81 41643.015 8000 + 1e-06 42200 12 231931.52 40312.339 8000 + 1e-06 42300 12 228935.92 39072.939 8000 + 1e-06 42400 12 225746.23 37930.778 8000 + 1e-06 42500 12 222348.89 36895.022 8000 + 1e-06 42600 12 218698.5 35981.801 8000 + 1e-06 42700 12 214647.12 35216.043 8000 + 1e-06 42800 12 210245.47 34620.785 8000 + 1e-06 42900 12 205531.71 34205.699 8000 + 1e-06 43000 12 200578.63 33994.95 8000 + 1e-06 43100 12 195456.13 33986.177 8000 + 1e-06 43200 12 190228.82 34157.583 8000 + 1e-06 43300 12 184952.07 34469.117 8000 + 1e-06 43400 12 179670.45 34866.761 8000 + 1e-06 43500 12 174418.49 35289.81 8000 + 1e-06 43600 12 169223.1 35679.916 8000 + 1e-06 43700 12 164106.46 35990.914 8000 + 1e-06 43800 12 159087.52 36198.071 8000 + 1e-06 43900 12 154186.33 36296.826 8000 + 1e-06 44000 12 149426.96 36300.354 8000 + 1e-06 44100 12 144835.14 36235.093 8000 + 1e-06 44200 12 140411 36133.354 8000 + 1e-06 44300 12 136182.81 36025.46 8000 + 1e-06 44400 12 132191.02 35932.385 8000 + 1e-06 44500 12 128477.69 35860.362 8000 + 1e-06 44600 12 125084.47 35799.083 8000 + 1e-06 44700 12 122052.38 35722.674 8000 + 1e-06 44800 12 119423.36 35591.653 8000 + 1e-06 44900 12 117231.38 35361.568 8000 + 1e-06 45000 12 115498.71 34993.601 8000 + 1e-06 45100 12 114234.68 34464.293 8000 + 1e-06 45200 12 113435.12 33772.471 8000 + 1e-06 45300 12 113082.91 32941.872 8000 + 1e-06 45400 12 113268.89 32017.499 8000 + 1e-06 45500 12 114094.16 31061.868 8000 + 1e-06 45600 12 115590.36 30141.335 8000 + 1e-06 45700 12 117815.57 29316.931 8000 + 1e-06 45800 12 120811.47 28631.895 8000 + 1e-06 45900 12 124575.14 28113.464 8000 + 1e-06 46000 12 129078.74 27763.791 8000 + 1e-06 46100 12 134338.42 27558.943 8000 + 1e-06 46200 12 140371.84 27456.007 8000 + 1e-06 46300 12 147179.46 27401.261 8000 + 1e-06 46400 12 154720.12 27350.633 8000 + 1e-06 46500 12 162903.78 27280.725 8000 + 1e-06 46600 12 171569.61 27160.074 8000 + 1e-06 46700 12 180503.28 26959.29 8000 + 1e-06 46800 12 189437.05 26679.422 8000 + 1e-06 46900 12 198196.23 26336.443 8000 + 1e-06 47000 12 206520.98 25964.312 8000 + 1e-06 47100 12 214102.44 25606.132 8000 + 1e-06 47200 12 220554.38 25312.112 8000 + 1e-06 47300 12 225530.25 25128.211 8000 + 1e-06 47400 12 228814.64 25087.25 8000 + 1e-06 47500 12 230374.48 25204.456 8000 + 1e-06 47600 12 230169.61 25476.535 8000 + 1e-06 47700 12 228279.91 25884.284 8000 + 1e-06 47800 12 224903.35 26398.057 8000 + 1e-06 47900 12 220331.08 26984.898 8000 + 1e-06 48000 12 214896.98 27615.915 8000 + 1e-06 48100 12 208954.59 28272.416 8000 + 1e-06 48200 12 202876.52 28949.711 8000 + 1e-06 48300 12 197002.89 29657.821 8000 + 1e-06 48400 12 191715.64 30417.951 8000 + 1e-06 48500 12 187427.74 31259.165 8000 + 1e-06 48600 12 184340.37 32206.982 8000 + 1e-06 48700 12 182293.26 33278.236 8000 + 1e-06 48800 12 181185.81 34481.276 8000 + 1e-06 48900 12 181101.89 35801.056 8000 + 1e-06 49000 12 182147.18 37201.316 8000 + 1e-06 49100 12 184365.23 38617.38 8000 + 1e-06 49200 12 187357.35 39915.206 8000 + 1e-06 49300 12 190910.82 40926.844 8000 + 1e-06 49400 12 195007.02 41662.043 8000 + 1e-06 49500 12 199572.66 42126.903 8000 + 1e-06 49600 12 204382.72 42280.987 8000 + 1e-06 49700 12 209699.49 42088.752 8000 + 1e-06 49800 12 215597.68 41583.342 8000 + 1e-06 49900 12 222033.85 40867.693 8000 +Loop time of 1.45978 on 1 procs for 49900 steps with 12 atoms -99.7% CPU use with 1 MPI tasks x no OpenMP threads +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 | 0.015815 | 0.015815 | 0.015815 | 0.0 | 3.77 -Neigh | 1.795e-05 | 1.795e-05 | 1.795e-05 | 0.0 | 0.00 -Comm | 0.0015216 | 0.0015216 | 0.0015216 | 0.0 | 0.36 -Output | 0.0024194 | 0.0024194 | 0.0024194 | 0.0 | 0.58 -Modify | 0.3932 | 0.3932 | 0.3932 | 0.0 | 93.81 -Other | | 0.006155 | | | 1.47 +Pair | 0.34189 | 0.34189 | 0.34189 | 0.0 | 23.42 +Neigh | 0 | 0 | 0 | 0.0 | 0.00 +Comm | 0.0023579 | 0.0023579 | 0.0023579 | 0.0 | 0.16 +Output | 0.0038476 | 0.0038476 | 0.0038476 | 0.0 | 0.26 +Modify | 1.1002 | 1.1002 | 1.1002 | 0.0 | 75.37 +Other | | 0.01145 | | | 0.78 -Nlocal: 0 ave 0 max 0 min +Nlocal: 12 ave 12 max 12 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: 0 ave 0 max 0 min +Neighs: 66 ave 66 max 66 min Histogram: 1 0 0 0 0 0 0 0 0 0 -Total # of neighbors = 0 -Neighbor list builds = 6 +Total # of neighbors = 66 +Ave neighs/atom = 5.5 +Neighbor list builds = 0 Dangerous builds = 0 -Total wall time: 0:00:00 +Total wall time: 0:00:01 diff --git a/src/GRANULAR/gran_sub_mod_damping.cpp b/src/GRANULAR/gran_sub_mod_damping.cpp index 1c62c92c76..a171f70654 100644 --- a/src/GRANULAR/gran_sub_mod_damping.cpp +++ b/src/GRANULAR/gran_sub_mod_damping.cpp @@ -190,6 +190,8 @@ void GranSubModDampingMDR::init() { if (gm->normal_model->name != "mdr") error->all(FLERR, "Damping mdr can only be used with mdr normal model"); + + damp = gm->normal_model->get_damp(); } /* ---------------------------------------------------------------------- */ diff --git a/src/GRANULAR/gran_sub_mod_normal.cpp b/src/GRANULAR/gran_sub_mod_normal.cpp index 5683f54fc2..9eb30e2a0e 100644 --- a/src/GRANULAR/gran_sub_mod_normal.cpp +++ b/src/GRANULAR/gran_sub_mod_normal.cpp @@ -807,10 +807,8 @@ double GranSubModNormalMDR::calculate_forces() F_MDR = calculate_nonadhesive_mdr_force(deltae1D, Ainv, Eeff, A, B); } - if (std::isnan(F_MDR)) { - printf("itag = %d, jtag = %d \n", itag_true, jtag_true); - error->one(FLERR, "F_MDR is NaN, case 1: no tensile springs"); - } + if (std::isnan(F_MDR)) + error->one(FLERR, "F_MDR is NaN, case 1: no tensile springs for atoms {} and {}", itag_true, jtag_true); if (history_update) *aAdh_offset = a_fac * a_na; } else {