Adding damp coeff back in
This commit is contained in:
jtclemm
@ -1,4 +1,4 @@
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LAMMPS (4 Feb 2025 - Development - patch_4Feb2025-581-g384d7f446b-modified)
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LAMMPS (4 Feb 2025 - Development - patch_4Feb2025-583-g3d4b57d7fd-modified)
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##################################### SIMULATION SETTINGS ###################################################
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atom_style sphere 1
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@ -20,7 +20,7 @@ Reading data file ...
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1 by 1 by 1 MPI processor grid
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reading atoms ...
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200 atoms
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read_data CPU = 0.004 seconds
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read_data CPU = 0.003 seconds
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#################################### ADD DIE AND ATOM PARAMETERIZATION ######################################
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@ -195,9 +195,9 @@ Neighbor list info ...
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Per MPI rank memory allocation (min/avg/max) = 72.3 | 72.3 | 72.3 Mbytes
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Dt Step Atoms KinEng Volume v_disp_upper
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4e-06 0 200 0 2.1e-06 0
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Loop time of 8.51e-07 on 1 procs for 0 steps with 200 atoms
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Loop time of 7.84e-07 on 1 procs for 0 steps with 200 atoms
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117.5% CPU use with 1 MPI tasks x no OpenMP threads
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127.6% CPU use with 1 MPI tasks x no OpenMP threads
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MPI task timing breakdown:
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Section | min time | avg time | max time |%varavg| %total
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@ -207,7 +207,7 @@ Neigh | 0 | 0 | 0 | 0.0 | 0.00
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Comm | 0 | 0 | 0 | 0.0 | 0.00
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Output | 0 | 0 | 0 | 0.0 | 0.00
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Modify | 0 | 0 | 0 | 0.0 | 0.00
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Other | | 8.51e-07 | | |100.00
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Other | | 7.84e-07 | | |100.00
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Nlocal: 200 ave 200 max 200 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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@ -263,78 +263,78 @@ Per MPI rank memory allocation (min/avg/max) = 72.3 | 72.3 | 72.3 Mbytes
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Dt Step Atoms KinEng Volume v_disp_upper
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4e-06 0 200 0 2.1e-06 0
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4e-06 100 200 1.5945503e-09 2.1e-06 0
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4e-06 200 200 6.3770738e-09 2.1e-06 0
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4e-06 300 200 1.4245359e-08 2.1e-06 0
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4e-06 400 200 2.5260505e-08 2.1e-06 0
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4e-06 500 200 3.9464751e-08 2.1e-06 0
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4e-06 600 200 5.6858098e-08 2.1e-06 0
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4e-06 700 200 7.7385952e-08 2.1e-06 0
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4e-06 800 198 1.0059548e-07 2.1e-06 0
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4e-06 900 196 1.2599473e-07 2.1e-06 0
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4e-06 1000 194 1.5428578e-07 2.1e-06 0
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4e-06 1100 194 1.8644695e-07 2.1e-06 0
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4e-06 1200 192 2.2088698e-07 2.1e-06 0
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4e-06 1300 192 2.5897366e-07 2.1e-06 0
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4e-06 1400 192 3.0013683e-07 2.1e-06 0
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4e-06 1500 192 3.4277758e-07 2.1e-06 0
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4e-06 1600 192 3.9077177e-07 2.1e-06 0
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4e-06 1700 192 4.3898925e-07 2.1e-06 0
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4e-06 1800 186 4.736674e-07 2.1e-06 0
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4e-06 1900 184 5.2110858e-07 2.1e-06 0
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4e-06 2000 184 5.7848899e-07 2.1e-06 0
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4e-06 2100 184 6.3492469e-07 2.1e-06 0
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4e-06 2200 184 6.9441989e-07 2.1e-06 0
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4e-06 2300 182 inf 2.1e-06 0
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4e-06 2400 176 7.9307687e-07 2.1e-06 0
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4e-06 2500 176 8.599965e-07 2.1e-06 0
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4e-06 2600 176 9.2970927e-07 2.1e-06 0
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4e-06 2700 176 1.0022152e-06 2.1e-06 0
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4e-06 2800 176 inf 2.1e-06 0
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4e-06 2900 174 1.1458142e-06 2.1e-06 0
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4e-06 3000 172 1.2159972e-06 2.1e-06 0
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4e-06 3100 172 inf 2.1e-06 0
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4e-06 3200 170 1.3640273e-06 2.1e-06 0
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4e-06 3300 164 1.4023496e-06 2.1e-06 0
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4e-06 3400 164 1.4878891e-06 2.1e-06 0
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4e-06 3500 164 1.5760184e-06 2.1e-06 0
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4e-06 3600 164 1.6667377e-06 2.1e-06 0
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4e-06 3700 162 1.7486967e-06 2.1e-06 0
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4e-06 3800 160 1.8165262e-06 2.1e-06 0
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4e-06 3900 158 1.8886488e-06 2.1e-06 0
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4e-06 4000 158 1.9853138e-06 2.1e-06 0
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4e-06 4100 158 inf 2.1e-06 0
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4e-06 4200 156 2.1616605e-06 2.1e-06 0
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4e-06 4300 156 2.2655984e-06 2.1e-06 0
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4e-06 4400 156 inf 2.1e-06 0
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4e-06 4500 152 2.4161761e-06 2.1e-06 0
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4e-06 4600 152 2.497822e-06 2.1e-06 0
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4e-06 4700 150 2.6001287e-06 2.1e-06 0
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4e-06 4800 148 inf 2.1e-06 0
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4e-06 4900 146 inf 2.1e-06 0
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4e-06 5000 140 2.7812394e-06 2.1e-06 0
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Loop time of 0.432192 on 1 procs for 5000 steps with 140 atoms
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4e-06 200 200 6.3722236e-09 2.1e-06 0
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4e-06 300 200 1.4211064e-08 2.1e-06 0
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4e-06 400 200 2.5258679e-08 2.1e-06 0
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4e-06 500 200 3.9464769e-08 2.1e-06 0
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4e-06 600 200 5.6825967e-08 2.1e-06 0
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4e-06 700 200 7.7344469e-08 2.1e-06 0
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4e-06 800 200 1.0060974e-07 2.1e-06 0
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4e-06 900 200 1.2653591e-07 2.1e-06 0
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4e-06 1000 200 1.5569212e-07 2.1e-06 0
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4e-06 1100 200 1.8742647e-07 2.1e-06 0
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4e-06 1200 200 2.215525e-07 2.1e-06 0
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4e-06 1300 200 2.5959327e-07 2.1e-06 0
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4e-06 1400 200 3.010369e-07 2.1e-06 0
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4e-06 1500 200 3.4166871e-07 2.1e-06 0
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4e-06 1600 200 3.8173997e-07 2.1e-06 0
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4e-06 1700 200 4.2263596e-07 2.1e-06 0
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4e-06 1800 200 4.6542919e-07 2.1e-06 0
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4e-06 1900 200 5.1316032e-07 2.1e-06 0
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4e-06 2000 200 5.6390086e-07 2.1e-06 0
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4e-06 2100 200 6.1282692e-07 2.1e-06 0
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4e-06 2200 200 6.6871978e-07 2.1e-06 0
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4e-06 2300 200 7.2432957e-07 2.1e-06 0
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4e-06 2400 200 7.7356329e-07 2.1e-06 0
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4e-06 2500 200 8.3121212e-07 2.1e-06 0
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4e-06 2600 200 8.9285402e-07 2.1e-06 0
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4e-06 2700 200 9.5056709e-07 2.1e-06 0
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4e-06 2800 200 1.0078859e-06 2.1e-06 0
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4e-06 2900 200 1.0583726e-06 2.1e-06 0
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4e-06 3000 200 1.1128777e-06 2.1e-06 0
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4e-06 3100 200 1.149994e-06 2.1e-06 0
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4e-06 3200 200 1.2038821e-06 2.1e-06 0
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4e-06 3300 200 1.2266858e-06 2.1e-06 0
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4e-06 3400 200 1.2785607e-06 2.1e-06 0
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4e-06 3500 200 1.3382357e-06 2.1e-06 0
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4e-06 3600 200 1.3864259e-06 2.1e-06 0
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4e-06 3700 200 1.4382735e-06 2.1e-06 0
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4e-06 3800 200 1.4261443e-06 2.1e-06 0
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4e-06 3900 200 1.4409345e-06 2.1e-06 0
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4e-06 4000 200 1.4794449e-06 2.1e-06 0
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4e-06 4100 200 1.4696815e-06 2.1e-06 0
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4e-06 4200 200 1.4980192e-06 2.1e-06 0
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4e-06 4300 200 1.5093101e-06 2.1e-06 0
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4e-06 4400 200 1.527165e-06 2.1e-06 0
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4e-06 4500 200 1.5514338e-06 2.1e-06 0
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4e-06 4600 200 1.5939536e-06 2.1e-06 0
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4e-06 4700 200 1.6017087e-06 2.1e-06 0
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4e-06 4800 200 1.5835827e-06 2.1e-06 0
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4e-06 4900 200 1.5646707e-06 2.1e-06 0
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4e-06 5000 200 1.5869167e-06 2.1e-06 0
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Loop time of 0.894952 on 1 procs for 5000 steps with 200 atoms
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99.7% CPU use with 1 MPI tasks x no OpenMP threads
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MPI task timing breakdown:
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Section | min time | avg time | max time |%varavg| %total
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---------------------------------------------------------------
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Pair | 0.10597 | 0.10597 | 0.10597 | 0.0 | 24.52
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Neigh | 0.011871 | 0.011871 | 0.011871 | 0.0 | 2.75
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Comm | 0.00034652 | 0.00034652 | 0.00034652 | 0.0 | 0.08
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Output | 0.00027596 | 0.00027596 | 0.00027596 | 0.0 | 0.06
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Modify | 0.31284 | 0.31284 | 0.31284 | 0.0 | 72.39
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Other | | 0.0008893 | | | 0.21
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Pair | 0.33414 | 0.33414 | 0.33414 | 0.0 | 37.34
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Neigh | 0.013978 | 0.013978 | 0.013978 | 0.0 | 1.56
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Comm | 0.00055911 | 0.00055911 | 0.00055911 | 0.0 | 0.06
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Output | 0.00042257 | 0.00042257 | 0.00042257 | 0.0 | 0.05
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Modify | 0.54341 | 0.54341 | 0.54341 | 0.0 | 60.72
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Other | | 0.002439 | | | 0.27
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Nlocal: 140 ave 140 max 140 min
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Nlocal: 200 ave 200 max 200 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Nghost: 0 ave 0 max 0 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 865 ave 865 max 865 min
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Neighs: 1663 ave 1663 max 1663 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 865
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Ave neighs/atom = 6.1785714
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Total # of neighbors = 1663
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Ave neighs/atom = 8.315
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Neighbor list builds = 83
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Dangerous builds not checked
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@ -352,170 +352,170 @@ run 14000
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Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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Per MPI rank memory allocation (min/avg/max) = 72.3 | 72.3 | 72.3 Mbytes
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Dt Step Atoms KinEng Volume v_disp_upper
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4e-06 5000 140 2.7812394e-06 2.1e-06 0
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4e-06 5100 140 2.8895541e-06 2.1e-06 -0.00015706645
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4e-06 5200 136 2.9030642e-06 2.1e-06 -0.00031405381
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4e-06 5300 134 2.9801402e-06 2.1e-06 -0.00047088304
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4e-06 5400 134 inf 2.1e-06 -0.00062747516
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4e-06 5500 130 3.1361708e-06 2.1e-06 -0.00078375133
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4e-06 5600 130 3.224988e-06 2.1e-06 -0.00093963286
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4e-06 5700 128 3.2981553e-06 2.1e-06 -0.0010950413
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4e-06 5800 126 3.3346425e-06 2.1e-06 -0.0012498983
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4e-06 5900 126 3.4495324e-06 2.1e-06 -0.0014041259
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4e-06 6000 124 3.4436288e-06 2.1e-06 -0.0015576465
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4e-06 6100 122 3.5108806e-06 2.1e-06 -0.0017103828
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4e-06 6200 118 3.4808187e-06 2.1e-06 -0.0018622579
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4e-06 6300 116 3.5520892e-06 2.1e-06 -0.0020131953
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4e-06 6400 116 3.6651266e-06 2.1e-06 -0.002163119
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4e-06 6500 116 3.7768528e-06 2.1e-06 -0.0023119534
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4e-06 6600 114 3.8296982e-06 2.1e-06 -0.0024596238
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4e-06 6700 110 3.8220731e-06 2.1e-06 -0.0026060556
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4e-06 6800 108 3.8409573e-06 2.1e-06 -0.0027511752
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4e-06 6900 108 inf 2.1e-06 -0.0028949095
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4e-06 7000 104 3.9206342e-06 2.1e-06 -0.0030371862
|
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4e-06 7100 102 3.9647246e-06 2.1e-06 -0.0031779335
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4e-06 7200 102 inf 2.1e-06 -0.0033170806
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4e-06 7300 98 3.9766723e-06 2.1e-06 -0.0034545575
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4e-06 7400 90 3.7821936e-06 2.1e-06 -0.0035902949
|
||||
4e-06 7500 90 inf 2.1e-06 -0.0037242245
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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
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||||
4e-06 7900 80 3.791409e-06 2.1e-06 -0.0042405303
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4e-06 8000 76 3.7336309e-06 2.1e-06 -0.0043644286
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4e-06 8100 76 inf 2.1e-06 -0.0044861293
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4e-06 8200 72 3.7708462e-06 2.1e-06 -0.0046055711
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4e-06 8300 72 3.8690393e-06 2.1e-06 -0.0047226938
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4e-06 8400 68 inf 2.1e-06 -0.0048374385
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4e-06 8500 64 3.6623177e-06 2.1e-06 -0.0049497475
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||||
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
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4e-06 9300 46 inf 2.1e-06 -0.0057540145
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4e-06 9400 34 inf 2.1e-06 -0.0058420128
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||||
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
|
||||
|
||||
File diff suppressed because it is too large
Load Diff
Reference in New Issue
Block a user