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lammps/regress/min/log.min.linux.4
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thermo_modify format float %22.16g
units lj
dimension 2
atom_style atomic
lattice sq2 0.8442
Lattice spacing in x,y,z = 1.53919 1.53919 1.53919
region box block 0 20 0 20 -0.1 0.1
create_box 1 box
Created orthogonal box = (0 0 -0.153919) to (30.7838 30.7838 0.153919)
2 by 2 by 1 MPI processor grid
create_atoms 1 box
Created 800 atoms
mass 1 1.0
velocity all create 5.0 87287 loop geom
pair_style lj/cut 2.5
pair_coeff 1 1 1.0 1.0 2.5
pair_modify shift yes
neighbor 0.3 bin
neigh_modify delay 0 every 1 check yes
fix 1 all nve
fix 2 all enforce2d
thermo 100
run 1000
Memory usage per processor = 2.06131 Mbytes
Step Temp E_pair E_mol TotEng Press
0 5.000000000000003 -2.461717005066061 0 2.532032994933942 5.019050890508955
100 3.278886388877869 -0.7431169835656971 0 2.531670797326075 15.91283242338088
200 3.304108155614702 -0.770002773686752 0 2.529975246733432 15.60265257745889
300 3.384022759512081 -0.848592112876043 0 2.531200618186648 15.18820325821745
400 3.391606335386342 -0.8569460127499905 0 2.530420814717119 15.38385255470058
500 3.313605249192515 -0.7793526398331005 0 2.530110602797923 15.83329554829931
600 3.388891509283207 -0.8521374176027908 0 2.532517977293812 15.16275872231016
700 3.212363247568808 -0.6764180715800802 0 2.531929721929266 16.31059174672587
800 3.30164965769371 -0.7657165604506752 0 2.531806035170918 15.63919769621543
900 3.462145385726328 -0.9260856989744829 0 2.531732005019688 14.7729646222292
1000 3.280307461900034 -0.744659361981205 0 2.531547715591454 15.83559687910055
Loop time of 0.150981 on 4 procs for 1000 steps with 800 atoms
Pair time (%) = 0.074358 (49.2498)
Neigh time (%) = 0.0259317 (17.1754)
Comm time (%) = 0.0378432 (25.0648)
Outpt time (%) = 0.000293195 (0.194193)
Other time (%) = 0.0125552 (8.31576)
Nlocal: 200 ave 202 max 198 min
Histogram: 1 0 1 0 0 0 0 1 0 1
Nghost: 170.25 ave 176 max 167 min
Histogram: 1 0 2 0 0 0 0 0 0 1
Neighs: 1936.75 ave 1963 max 1896 min
Histogram: 1 0 0 0 0 1 0 0 1 1
Total # of neighbors = 7747
Ave neighs/atom = 9.68375
Neighbor list builds = 203
Dangerous builds = 0
neigh_modify delay 0 every 1 check yes
thermo 50
minimize 1.0e-6 0.001 1000 10000
Memory usage per processor = 2.74803 Mbytes
Step Temp E_pair E_mol TotEng Press
1000 3.280307461900034 -0.744659361981205 0 2.531547715591454 15.83559687910055
1050 3.280307461900033 -2.819837129063572 0 0.4563699485090864 1.655394929592888
1100 3.280307461900033 -2.855498947211197 0 0.420708130361461 1.657155097577968
1150 3.280307461900033 -2.864669501007715 0 0.4115375765649429 1.704538802053384
1200 3.280307461900033 -2.868821260307581 0 0.4073858172650766 1.692208532293671
1250 3.280307461900033 -2.876498816721072 0 0.3997082608515861 1.69485318954625
1300 3.280307461900033 -2.877660562968008 0 0.3985465146046501 1.682138720151912
1350 3.280307461900033 -2.878937926575469 0 0.3972691509971895 1.671502430477356
1365 3.280307461900033 -2.879075975796061 0 0.3971311017765973 1.669229973578853
Loop time of 0.237022 on 4 procs for 365 steps with 800 atoms
Minimization stats:
Stopping criterion = energy tolerance
Energy initial, next-to-last, final =
-0.744659361981 -2.87907436106 -2.8790759758
Force two-norm initial, final = 2006.88 0.477401
Force max component initial, final = 395.193 0.0879763
Final line search alpha, max atom move = 0.00334856 0.000294593
Iterations, force evaluations = 365 1437
Pair time (%) = 0.154196 (65.0556)
Neigh time (%) = 0.00975937 (4.1175)
Comm time (%) = 0.0475755 (20.0722)
Outpt time (%) = 0.000191867 (0.0809493)
Other time (%) = 0.0252992 (10.6738)
Nlocal: 200 ave 204 max 194 min
Histogram: 1 0 0 0 0 1 0 0 0 2
Nghost: 171.75 ave 173 max 170 min
Histogram: 1 0 0 1 0 0 0 0 0 2
Neighs: 1762.75 ave 1797 max 1711 min
Histogram: 1 0 0 0 0 0 1 1 0 1
Total # of neighbors = 7051
Ave neighs/atom = 8.81375
Neighbor list builds = 78
Dangerous builds = 0
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