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rerun.log
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package cuda gpu/node 1 0
#package omp 2 force/neigh
read_restart cut_sic.pre_cut.restart
orthogonal box = (-0.033967 -0.00821494 0) to (323.135 82.1412 78.6006)
1 by 1 by 1 MPI processor grid
163956 atoms
# ------------------------ FORCE FIELDS ------------------------------
pair_style tersoff
pair_coeff * * SiC_Erhart-Albe.tersoff C Si C
mass 1 12 #.0107 # C (g/mol)
mass 2 28 #.0855 # Si (g/mol)
mass 3 12 #.0107 # C (g/mol)
balance dynamic xy 50 1.05
iteration count = 1
initial/final max atoms/proc = 163956 163956
initial/final imbalance factor = 1 1
x cuts: 0 1
y cuts: 0 1
z cuts: 0 1
fix 13 all property/atom mol
Resetting per-atom state of Fix 13 Style property/atom from restart file info
compute s all stress/atom NULL
compute k all ke/atom
compute vor all voronoi/atom
dump 1 all custom 500 dump.rerun.cut_sic.* id type mol x y z vx vy vz c_k c_s[1] c_s[2] c_s[3] c_s[4] c_s[5] c_s[6] c_vor[1]
label loop
variable i loop 801
variable j equal ($i-1)*500
variable j equal (1-1)*500
rerun dump.cutsic.$j.lammpstrj dump x y z box yes scaled no format native
rerun dump.cutsic.0.lammpstrj dump x y z box yes scaled no format native
Memory usage per processor = 103.568 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
0 327.4678 -1036649.5 0 -1029709.5 -2575.0096 2086685.2
Loop time of 11.9808 on 1 procs for 1 steps with 163956 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 0 (0)
Outpt time (%) = 0 (0)
Other time (%) = 11.9808 (100)
Nlocal: 163956 ave 163956 max 163956 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 42512 ave 42512 max 42512 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 8.00159e+06 ave 8.00159e+06 max 8.00159e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 8001592
Ave neighs/atom = 48.8033
Neighbor list builds = 0
Dangerous builds = 0
next i
jump SELF loop
variable i loop 801
variable j equal ($i-1)*500
variable j equal (2-1)*500
rerun dump.cutsic.$j.lammpstrj dump x y z box yes scaled no format native
rerun dump.cutsic.500.lammpstrj dump x y z box yes scaled no format native
Memory usage per processor = 103.568 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
500 327.4678 -1036647.2 0 -1029707.3 206.68796 2085070.6
Loop time of 12.2017 on 1 procs for 1 steps with 163956 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 0 (0)
Outpt time (%) = 0 (0)
Other time (%) = 12.2017 (100)
Nlocal: 163956 ave 163956 max 163956 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 42713 ave 42713 max 42713 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 8.00286e+06 ave 8.00286e+06 max 8.00286e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 8002864
Ave neighs/atom = 48.811
Neighbor list builds = 0
Dangerous builds = 0
next i
jump SELF loop
variable i loop 801
variable j equal ($i-1)*500
variable j equal (3-1)*500
rerun dump.cutsic.$j.lammpstrj dump x y z box yes scaled no format native
rerun dump.cutsic.1000.lammpstrj dump x y z box yes scaled no format native
Memory usage per processor = 103.568 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
1000 327.4678 -1036660.4 0 -1029720.5 2041.8432 2083456
Loop time of 10.6029 on 1 procs for 1 steps with 163956 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 0 (0)
Outpt time (%) = 0 (0)
Other time (%) = 10.6029 (100)
Nlocal: 163956 ave 163956 max 163956 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 42377 ave 42377 max 42377 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 8.00376e+06 ave 8.00376e+06 max 8.00376e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 8003764
Ave neighs/atom = 48.8165
Neighbor list builds = 0
Dangerous builds = 0
next i
jump SELF loop
variable i loop 801
variable j equal ($i-1)*500
variable j equal (4-1)*500
rerun dump.cutsic.$j.lammpstrj dump x y z box yes scaled no format native
rerun dump.cutsic.1500.lammpstrj dump x y z box yes scaled no format native
Memory usage per processor = 103.568 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
1500 327.4678 -1036666.5 0 -1029726.6 4147.3554 2081841.5
Loop time of 11.0918 on 1 procs for 1 steps with 163956 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 0 (0)
Outpt time (%) = 0 (0)
Other time (%) = 11.0918 (100)
Nlocal: 163956 ave 163956 max 163956 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 42200 ave 42200 max 42200 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 8.00357e+06 ave 8.00357e+06 max 8.00357e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 8003572
Ave neighs/atom = 48.8154
Neighbor list builds = 0
Dangerous builds = 0
next i
jump SELF loop
variable i loop 801
variable j equal ($i-1)*500
variable j equal (5-1)*500
rerun dump.cutsic.$j.lammpstrj dump x y z box yes scaled no format native
rerun dump.cutsic.2000.lammpstrj dump x y z box yes scaled no format native
Memory usage per processor = 103.568 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
2000 327.4678 -1036642.1 0 -1029702.1 6758.6552 2080226.9
Loop time of 11.4424 on 1 procs for 1 steps with 163956 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 0 (0)
Outpt time (%) = 0 (0)
Other time (%) = 11.4424 (100)
Nlocal: 163956 ave 163956 max 163956 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 42208 ave 42208 max 42208 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 8.00528e+06 ave 8.00528e+06 max 8.00528e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 8005282
Ave neighs/atom = 48.8258
Neighbor list builds = 0
Dangerous builds = 0
next i
jump SELF loop
variable i loop 801
variable j equal ($i-1)*500
variable j equal (6-1)*500
rerun dump.cutsic.$j.lammpstrj dump x y z box yes scaled no format native
rerun dump.cutsic.2500.lammpstrj dump x y z box yes scaled no format native
Memory usage per processor = 103.568 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
2500 327.4678 -1036631.6 0 -1029691.6 5666.1849 2078612.3
Loop time of 10.8713 on 1 procs for 1 steps with 163956 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 0 (0)
Outpt time (%) = 0 (0)
Other time (%) = 10.8713 (100)
Nlocal: 163956 ave 163956 max 163956 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 42385 ave 42385 max 42385 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 8.00494e+06 ave 8.00494e+06 max 8.00494e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 8004936
Ave neighs/atom = 48.8237
Neighbor list builds = 0
Dangerous builds = 0
next i
jump SELF loop
variable i loop 801
variable j equal ($i-1)*500
variable j equal (7-1)*500
rerun dump.cutsic.$j.lammpstrj dump x y z box yes scaled no format native
rerun dump.cutsic.3000.lammpstrj dump x y z box yes scaled no format native
Memory usage per processor = 103.568 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
3000 327.4678 -1036601.5 0 -1029661.5 6054.9831 2076997.7
Loop time of 10.733 on 1 procs for 1 steps with 163956 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 0 (0)
Outpt time (%) = 0 (0)
Other time (%) = 10.733 (100)
Nlocal: 163956 ave 163956 max 163956 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 42530 ave 42530 max 42530 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 8.00736e+06 ave 8.00736e+06 max 8.00736e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 8007356
Ave neighs/atom = 48.8384
Neighbor list builds = 0
Dangerous builds = 0
next i
jump SELF loop
variable i loop 801
variable j equal ($i-1)*500
variable j equal (8-1)*500
rerun dump.cutsic.$j.lammpstrj dump x y z box yes scaled no format native
rerun dump.cutsic.3500.lammpstrj dump x y z box yes scaled no format native
Memory usage per processor = 103.568 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
3500 327.4678 -1036557 0 -1029617 4520.8588 2075383.2
Loop time of 10.8203 on 1 procs for 1 steps with 163956 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 0 (0)
Outpt time (%) = 0 (0)
Other time (%) = 10.8203 (100)
Nlocal: 163956 ave 163956 max 163956 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 42206 ave 42206 max 42206 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 8.00727e+06 ave 8.00727e+06 max 8.00727e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 8007274
Ave neighs/atom = 48.8379
Neighbor list builds = 0
Dangerous builds = 0
next i
jump SELF loop
variable i loop 801
variable j equal ($i-1)*500
variable j equal (9-1)*500
rerun dump.cutsic.$j.lammpstrj dump x y z box yes scaled no format native
rerun dump.cutsic.4000.lammpstrj dump x y z box yes scaled no format native
Memory usage per processor = 103.568 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
4000 327.4678 -1036491.5 0 -1029551.5 4038.4596 2073768.6
Loop time of 11.5278 on 1 procs for 1 steps with 163956 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 0 (0)
Outpt time (%) = 0 (0)
Other time (%) = 11.5278 (100)
Nlocal: 163956 ave 163956 max 163956 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 42022 ave 42022 max 42022 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 8.0094e+06 ave 8.0094e+06 max 8.0094e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 8009398
Ave neighs/atom = 48.8509
Neighbor list builds = 0
Dangerous builds = 0
next i
jump SELF loop
variable i loop 801
variable j equal ($i-1)*500
variable j equal (10-1)*500
rerun dump.cutsic.$j.lammpstrj dump x y z box yes scaled no format native
rerun dump.cutsic.4500.lammpstrj dump x y z box yes scaled no format native
Memory usage per processor = 103.568 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
4500 327.4678 -1036474 0 -1029534 4877.0028 2072154
Loop time of 10.5114 on 1 procs for 1 steps with 163956 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 0 (0)
Outpt time (%) = 0 (0)
Other time (%) = 10.5114 (100)
Nlocal: 163956 ave 163956 max 163956 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 42049 ave 42049 max 42049 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 8.01113e+06 ave 8.01113e+06 max 8.01113e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 8011130
Ave neighs/atom = 48.8615
Neighbor list builds = 0
Dangerous builds = 0
next i
jump SELF loop
variable i loop 801
variable j equal ($i-1)*500
variable j equal (11-1)*500
rerun dump.cutsic.$j.lammpstrj dump x y z box yes scaled no format native
rerun dump.cutsic.5000.lammpstrj dump x y z box yes scaled no format native
Memory usage per processor = 103.568 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
5000 327.4678 -1036436.9 0 -1029497 6282.3655 2070539.5
Loop time of 10.9534 on 1 procs for 1 steps with 163956 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 0 (0)
Outpt time (%) = 0 (0)
Other time (%) = 10.9534 (100)
Nlocal: 163956 ave 163956 max 163956 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 42273 ave 42273 max 42273 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 8.01034e+06 ave 8.01034e+06 max 8.01034e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 8010338
Ave neighs/atom = 48.8566
Neighbor list builds = 0
Dangerous builds = 0
next i
jump SELF loop
variable i loop 801
variable j equal ($i-1)*500
variable j equal (12-1)*500
rerun dump.cutsic.$j.lammpstrj dump x y z box yes scaled no format native
rerun dump.cutsic.5500.lammpstrj dump x y z box yes scaled no format native
Memory usage per processor = 103.568 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
5500 327.4678 -1036430.6 0 -1029490.6 9203.51 2068924.9
Loop time of 11.0441 on 1 procs for 1 steps with 163956 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 0 (0)
Outpt time (%) = 0 (0)
Other time (%) = 11.0441 (100)
Nlocal: 163956 ave 163956 max 163956 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 42546 ave 42546 max 42546 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 8.01233e+06 ave 8.01233e+06 max 8.01233e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 8012326
Ave neighs/atom = 48.8688
Neighbor list builds = 0
Dangerous builds = 0
next i
jump SELF loop
variable i loop 801
variable j equal ($i-1)*500
variable j equal (13-1)*500
rerun dump.cutsic.$j.lammpstrj dump x y z box yes scaled no format native
rerun dump.cutsic.6000.lammpstrj dump x y z box yes scaled no format native
Memory usage per processor = 103.568 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
6000 327.4678 -1036385.1 0 -1029445.1 11197.176 2067310.3
Loop time of 10.8631 on 1 procs for 1 steps with 163956 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 0 (0)
Outpt time (%) = 0 (0)
Other time (%) = 10.8631 (100)
Nlocal: 163956 ave 163956 max 163956 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 42526 ave 42526 max 42526 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 8.01186e+06 ave 8.01186e+06 max 8.01186e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 8011856
Ave neighs/atom = 48.8659
Neighbor list builds = 0
Dangerous builds = 0
next i
jump SELF loop
variable i loop 801
variable j equal ($i-1)*500
variable j equal (14-1)*500
rerun dump.cutsic.$j.lammpstrj dump x y z box yes scaled no format native
rerun dump.cutsic.6500.lammpstrj dump x y z box yes scaled no format native
Memory usage per processor = 103.568 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
6500 327.4678 -1036308.1 0 -1029368.1 12987.606 2065695.7
Loop time of 10.8094 on 1 procs for 1 steps with 163956 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 0 (0)
Outpt time (%) = 0 (0)
Other time (%) = 10.8094 (100)
Nlocal: 163956 ave 163956 max 163956 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 42166 ave 42166 max 42166 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 8.01409e+06 ave 8.01409e+06 max 8.01409e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 8014088
Ave neighs/atom = 48.8795
Neighbor list builds = 0
Dangerous builds = 0
next i
jump SELF loop
variable i loop 801
variable j equal ($i-1)*500
variable j equal (15-1)*500
rerun dump.cutsic.$j.lammpstrj dump x y z box yes scaled no format native
rerun dump.cutsic.7000.lammpstrj dump x y z box yes scaled no format native
Memory usage per processor = 103.568 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
7000 327.4678 -1036238.9 0 -1029298.9 13084.596 2064081.2
Loop time of 10.7075 on 1 procs for 1 steps with 163956 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 0 (0)
Outpt time (%) = 0 (0)
Other time (%) = 10.7075 (100)
Nlocal: 163956 ave 163956 max 163956 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 42114 ave 42114 max 42114 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 8.01617e+06 ave 8.01617e+06 max 8.01617e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 8016166
Ave neighs/atom = 48.8922
Neighbor list builds = 0
Dangerous builds = 0
next i
jump SELF loop
variable i loop 801
variable j equal ($i-1)*500
variable j equal (16-1)*500
rerun dump.cutsic.$j.lammpstrj dump x y z box yes scaled no format native
rerun dump.cutsic.7500.lammpstrj dump x y z box yes scaled no format native
Memory usage per processor = 103.568 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
7500 327.4678 -1036189.8 0 -1029249.8 11858.697 2062466.6
Loop time of 11.485 on 1 procs for 1 steps with 163956 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 0 (0)
Outpt time (%) = 0 (0)
Other time (%) = 11.485 (100)
Nlocal: 163956 ave 163956 max 163956 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 42328 ave 42328 max 42328 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 8.01763e+06 ave 8.01763e+06 max 8.01763e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 8017628
Ave neighs/atom = 48.9011
Neighbor list builds = 0
Dangerous builds = 0
next i
jump SELF loop
variable i loop 801
variable j equal ($i-1)*500
variable j equal (17-1)*500
rerun dump.cutsic.$j.lammpstrj dump x y z box yes scaled no format native
rerun dump.cutsic.8000.lammpstrj dump x y z box yes scaled no format native
Memory usage per processor = 103.568 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
8000 327.4678 -1036126 0 -1029186 11663.544 2060852
Loop time of 10.9243 on 1 procs for 1 steps with 163956 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 0 (0)
Outpt time (%) = 0 (0)
Other time (%) = 10.9243 (100)
Nlocal: 163956 ave 163956 max 163956 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 42774 ave 42774 max 42774 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 8.02014e+06 ave 8.02014e+06 max 8.02014e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 8020142
Ave neighs/atom = 48.9164
Neighbor list builds = 0
Dangerous builds = 0
next i
jump SELF loop
variable i loop 801
variable j equal ($i-1)*500
variable j equal (18-1)*500
rerun dump.cutsic.$j.lammpstrj dump x y z box yes scaled no format native
rerun dump.cutsic.8500.lammpstrj dump x y z box yes scaled no format native
Memory usage per processor = 103.568 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
8500 327.4678 -1036035.2 0 -1029095.2 11421.024 2059237.5
Loop time of 10.8666 on 1 procs for 1 steps with 163956 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 0 (0)
Outpt time (%) = 0 (0)
Other time (%) = 10.8666 (100)
Nlocal: 163956 ave 163956 max 163956 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 42537 ave 42537 max 42537 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 8.02181e+06 ave 8.02181e+06 max 8.02181e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 8021810
Ave neighs/atom = 48.9266
Neighbor list builds = 0
Dangerous builds = 0
next i
jump SELF loop
variable i loop 801
variable j equal ($i-1)*500
variable j equal (19-1)*500
rerun dump.cutsic.$j.lammpstrj dump x y z box yes scaled no format native
rerun dump.cutsic.9000.lammpstrj dump x y z box yes scaled no format native
Memory usage per processor = 103.568 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
9000 327.4678 -1035955.7 0 -1029015.7 13431.743 2057622.9
Loop time of 11.0893 on 1 procs for 1 steps with 163956 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 0 (0)
Outpt time (%) = 0 (0)
Other time (%) = 11.0893 (100)
Nlocal: 163956 ave 163956 max 163956 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 42085 ave 42085 max 42085 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 8.02435e+06 ave 8.02435e+06 max 8.02435e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 8024354
Ave neighs/atom = 48.9421
Neighbor list builds = 0
Dangerous builds = 0
next i
jump SELF loop
variable i loop 801
variable j equal ($i-1)*500
variable j equal (20-1)*500
rerun dump.cutsic.$j.lammpstrj dump x y z box yes scaled no format native
rerun dump.cutsic.9500.lammpstrj dump x y z box yes scaled no format native
Memory usage per processor = 103.568 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
9500 327.4678 -1035891.3 0 -1028951.4 15633.616 2056008.3
Loop time of 10.5335 on 1 procs for 1 steps with 163956 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 0 (0)
Outpt time (%) = 0 (0)
Other time (%) = 10.5335 (100)
Nlocal: 163956 ave 163956 max 163956 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 41977 ave 41977 max 41977 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 8.02394e+06 ave 8.02394e+06 max 8.02394e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 8023938
Ave neighs/atom = 48.9396
Neighbor list builds = 0
Dangerous builds = 0
next i
jump SELF loop
variable i loop 801
variable j equal ($i-1)*500
variable j equal (21-1)*500
rerun dump.cutsic.$j.lammpstrj dump x y z box yes scaled no format native
rerun dump.cutsic.10000.lammpstrj dump x y z box yes scaled no format native
Memory usage per processor = 103.568 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
10000 327.4678 -1035835.6 0 -1028895.6 18498.451 2054393.7
Loop time of 10.7389 on 1 procs for 1 steps with 163956 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 0 (0)
Outpt time (%) = 0 (0)
Other time (%) = 10.7389 (100)
Nlocal: 163956 ave 163956 max 163956 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 42245 ave 42245 max 42245 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 8.02731e+06 ave 8.02731e+06 max 8.02731e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 8027306
Ave neighs/atom = 48.9601
Neighbor list builds = 0
Dangerous builds = 0
next i
jump SELF loop
variable i loop 801
variable j equal ($i-1)*500
variable j equal (22-1)*500
rerun dump.cutsic.$j.lammpstrj dump x y z box yes scaled no format native
rerun dump.cutsic.10500.lammpstrj dump x y z box yes scaled no format native
Memory usage per processor = 103.568 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
10500 327.4678 -1035736.7 0 -1028796.8 20418.923 2052779.2
Loop time of 11.2909 on 1 procs for 1 steps with 163956 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 0 (0)
Outpt time (%) = 0 (0)
Other time (%) = 11.2909 (100)
Nlocal: 163956 ave 163956 max 163956 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 42648 ave 42648 max 42648 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 8.03096e+06 ave 8.03096e+06 max 8.03096e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 8030962
Ave neighs/atom = 48.9824
Neighbor list builds = 0
Dangerous builds = 0
next i
jump SELF loop
variable i loop 801
variable j equal ($i-1)*500
variable j equal (23-1)*500
rerun dump.cutsic.$j.lammpstrj dump x y z box yes scaled no format native
rerun dump.cutsic.11000.lammpstrj dump x y z box yes scaled no format native
Memory usage per processor = 103.568 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
11000 327.4678 -1035626.1 0 -1028686.1 21009.007 2051164.6
Loop time of 11.161 on 1 procs for 1 steps with 163956 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 0 (0)
Outpt time (%) = 0 (0)
Other time (%) = 11.161 (100)
Nlocal: 163956 ave 163956 max 163956 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 42607 ave 42607 max 42607 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 8.03138e+06 ave 8.03138e+06 max 8.03138e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 8031380
Ave neighs/atom = 48.985
Neighbor list builds = 0
Dangerous builds = 0
next i
jump SELF loop
variable i loop 801
variable j equal ($i-1)*500
variable j equal (24-1)*500
rerun dump.cutsic.$j.lammpstrj dump x y z box yes scaled no format native
rerun dump.cutsic.11500.lammpstrj dump x y z box yes scaled no format native
Memory usage per processor = 103.568 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
11500 327.4678 -1035540.6 0 -1028600.6 21142.352 2049550
Loop time of 10.6726 on 1 procs for 1 steps with 163956 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 0 (0)
Outpt time (%) = 0 (0)
Other time (%) = 10.6726 (100)
Nlocal: 163956 ave 163956 max 163956 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 42316 ave 42316 max 42316 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 8.03356e+06 ave 8.03356e+06 max 8.03356e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 8033556
Ave neighs/atom = 48.9982
Neighbor list builds = 0
Dangerous builds = 0
next i
jump SELF loop
variable i loop 801
variable j equal ($i-1)*500
variable j equal (25-1)*500
rerun dump.cutsic.$j.lammpstrj dump x y z box yes scaled no format native
rerun dump.cutsic.12000.lammpstrj dump x y z box yes scaled no format native
Memory usage per processor = 103.568 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
12000 327.4678 -1035417.2 0 -1028477.2 21634.212 2047935.5
Loop time of 11.4267 on 1 procs for 1 steps with 163956 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 0 (0)
Outpt time (%) = 0 (0)
Other time (%) = 11.4267 (100)
Nlocal: 163956 ave 163956 max 163956 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 42138 ave 42138 max 42138 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 8.03326e+06 ave 8.03326e+06 max 8.03326e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 8033262
Ave neighs/atom = 48.9965
Neighbor list builds = 0
Dangerous builds = 0
next i
jump SELF loop
variable i loop 801
variable j equal ($i-1)*500
variable j equal (26-1)*500
rerun dump.cutsic.$j.lammpstrj dump x y z box yes scaled no format native
rerun dump.cutsic.12500.lammpstrj dump x y z box yes scaled no format native
Memory usage per processor = 103.568 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
12500 327.4678 -1035285.2 0 -1028345.2 20362.479 2046320.9
Loop time of 10.5263 on 1 procs for 1 steps with 163956 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 0 (0)
Outpt time (%) = 0 (0)
Other time (%) = 10.5263 (100)
Nlocal: 163956 ave 163956 max 163956 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 42273 ave 42273 max 42273 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 8.03798e+06 ave 8.03798e+06 max 8.03798e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 8037982
Ave neighs/atom = 49.0252
Neighbor list builds = 0
Dangerous builds = 0
next i
jump SELF loop
variable i loop 801
variable j equal ($i-1)*500
variable j equal (27-1)*500
rerun dump.cutsic.$j.lammpstrj dump x y z box yes scaled no format native
rerun dump.cutsic.13000.lammpstrj dump x y z box yes scaled no format native
Memory usage per processor = 103.568 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
13000 327.4678 -1035172.1 0 -1028232.1 20821.752 2044706.3
Loop time of 10.7296 on 1 procs for 1 steps with 163956 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 0 (0)
Outpt time (%) = 0 (0)
Other time (%) = 10.7296 (100)
Nlocal: 163956 ave 163956 max 163956 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 42564 ave 42564 max 42564 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 8.04071e+06 ave 8.04071e+06 max 8.04071e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 8040708
Ave neighs/atom = 49.0419
Neighbor list builds = 0
Dangerous builds = 0
next i
jump SELF loop
variable i loop 801
variable j equal ($i-1)*500
variable j equal (28-1)*500
rerun dump.cutsic.$j.lammpstrj dump x y z box yes scaled no format native
rerun dump.cutsic.13500.lammpstrj dump x y z box yes scaled no format native
Memory usage per processor = 103.568 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
13500 327.4678 -1035058.4 0 -1028118.4 23322.969 2043091.7
Loop time of 10.6635 on 1 procs for 1 steps with 163956 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 0 (0)
Outpt time (%) = 0 (0)
Other time (%) = 10.6635 (100)
Nlocal: 163956 ave 163956 max 163956 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 42730 ave 42730 max 42730 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 8.04572e+06 ave 8.04572e+06 max 8.04572e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 8045720
Ave neighs/atom = 49.0724
Neighbor list builds = 0
Dangerous builds = 0
next i
jump SELF loop
variable i loop 801
variable j equal ($i-1)*500
variable j equal (29-1)*500
rerun dump.cutsic.$j.lammpstrj dump x y z box yes scaled no format native
rerun dump.cutsic.14000.lammpstrj dump x y z box yes scaled no format native
Memory usage per processor = 103.568 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
14000 327.4678 -1034972.1 0 -1028032.2 27061.489 2041477.2
Loop time of 10.9723 on 1 procs for 1 steps with 163956 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 0 (0)
Outpt time (%) = 0 (0)
Other time (%) = 10.9723 (100)
Nlocal: 163956 ave 163956 max 163956 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 42451 ave 42451 max 42451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 8.0491e+06 ave 8.0491e+06 max 8.0491e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 8049100
Ave neighs/atom = 49.093
Neighbor list builds = 0
Dangerous builds = 0
next i
jump SELF loop
variable i loop 801
variable j equal ($i-1)*500
variable j equal (30-1)*500
rerun dump.cutsic.$j.lammpstrj dump x y z box yes scaled no format native
rerun dump.cutsic.14500.lammpstrj dump x y z box yes scaled no format native
Memory usage per processor = 103.568 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
14500 327.4678 -1034804.3 0 -1027864.3 29924.746 2039862.6
Loop time of 10.6559 on 1 procs for 1 steps with 163956 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 0 (0)
Outpt time (%) = 0 (0)
Other time (%) = 10.6559 (100)
Nlocal: 163956 ave 163956 max 163956 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 42352 ave 42352 max 42352 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 8.04901e+06 ave 8.04901e+06 max 8.04901e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 8049014
Ave neighs/atom = 49.0925
Neighbor list builds = 0
Dangerous builds = 0
next i
jump SELF loop
variable i loop 801
variable j equal ($i-1)*500
variable j equal (31-1)*500
rerun dump.cutsic.$j.lammpstrj dump x y z box yes scaled no format native
rerun dump.cutsic.15000.lammpstrj dump x y z box yes scaled no format native
Memory usage per processor = 103.568 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
15000 327.4678 -1034678.2 0 -1027738.2 33442.457 2038248
Loop time of 10.4572 on 1 procs for 1 steps with 163956 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 0 (0)
Outpt time (%) = 0 (0)
Other time (%) = 10.4572 (100)
Nlocal: 163956 ave 163956 max 163956 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 42344 ave 42344 max 42344 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 8.05413e+06 ave 8.05413e+06 max 8.05413e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 8054130
Ave neighs/atom = 49.1237
Neighbor list builds = 0
Dangerous builds = 0
next i
jump SELF loop
variable i loop 801
variable j equal ($i-1)*500