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lammps/bench/POTENTIALS/log.26Jun12.eff.4
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LAMMPS (29 Jun 2012)
# eFF benchmark of H plasma
units electron
atom_style electron
read_data data.eff
orthogonal box = (0 0 0) to (41.9118 41.9118 41.9118)
1 by 2 by 2 MPI processor grid
32000 atoms
32000 velocities
pair_style eff/cut 12
pair_coeff * *
neigh_modify one 6000 page 60000
communicate single vel yes
compute effTemp all temp/eff
thermo 5
thermo_style custom step etotal pe ke temp press
thermo_modify temp effTemp
fix 1 all nve/eff
run 100
Memory usage per processor = 98.5462 Mbytes
Step TotEng PotEng KinEng Temp Press
0 4046.5854 796.63785 3249.9475 42763.133 4.4764483e+12
5 4046.5854 796.95799 3249.6274 42758.92 4.4728546e+12
10 4046.5854 797.71165 3248.8737 42749.004 4.4690821e+12
15 4046.5854 798.8949 3247.6905 42733.435 4.4651331e+12
20 4046.5854 800.50332 3246.0821 42712.271 4.4610102e+12
25 4046.5854 802.53206 3244.0534 42685.577 4.456716e+12
30 4046.5855 804.97579 3241.6097 42653.422 4.4522535e+12
35 4046.5855 807.82873 3238.7567 42615.883 4.4476257e+12
40 4046.5855 811.08467 3235.5008 42573.041 4.4428357e+12
45 4046.5855 814.73696 3231.8485 42524.984 4.437887e+12
50 4046.5855 818.77851 3227.807 42471.806 4.432783e+12
55 4046.5855 823.20183 3223.3837 42413.603 4.4275273e+12
60 4046.5856 827.99901 3218.5866 42350.482 4.4221238e+12
65 4046.5856 833.16176 3213.4238 42282.55 4.4165764e+12
70 4046.5856 838.68137 3207.9042 42209.923 4.4108891e+12
75 4046.5856 844.54877 3202.0369 42132.719 4.4050662e+12
80 4046.5857 850.75454 3195.8311 42051.064 4.399112e+12
85 4046.5857 857.28886 3189.2968 41965.085 4.393031e+12
90 4046.5857 864.14162 3182.4441 41874.916 4.3868277e+12
95 4046.5857 871.30234 3175.2834 41780.695 4.3805068e+12
100 4046.5858 878.76023 3167.8255 41682.563 4.3740731e+12
Loop time of 186.181 on 4 procs for 100 steps with 32000 atoms
Pair time (%) = 176.315 (94.701)
Neigh time (%) = 0 (0)
Comm time (%) = 9.78075 (5.25336)
Outpt time (%) = 0.00258493 (0.0013884)
Other time (%) = 0.082338 (0.0442248)
Nlocal: 8000 ave 8112 max 7875 min
Histogram: 1 1 0 0 0 0 0 0 0 2
Nghost: 65589 ave 66004 max 65177 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Neighs: 2.02643e+07 ave 2.11126e+07 max 1.94058e+07 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Total # of neighbors = 81057159
Ave neighs/atom = 2533.04
Neighbor list builds = 0
Dangerous builds = 0
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