2018-03-22 07:04:06 +08:00
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LAMMPS (16 Mar 2018)
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OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:90)
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using 1 OpenMP thread(s) per MPI task
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2012-07-04 06:16:40 +08:00
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# eFF benchmark of H plasma
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units electron
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atom_style electron
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read_data data.eff
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orthogonal box = (0 0 0) to (41.9118 41.9118 41.9118)
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1 by 1 by 1 MPI processor grid
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2018-03-22 07:04:06 +08:00
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reading atoms ...
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2012-07-04 06:16:40 +08:00
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32000 atoms
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2018-03-22 07:04:06 +08:00
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reading velocities ...
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2012-07-04 06:16:40 +08:00
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32000 velocities
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pair_style eff/cut 12
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2018-03-22 07:04:06 +08:00
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pair_coeff * *
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2012-07-04 06:16:40 +08:00
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neigh_modify one 6000 page 60000
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2018-03-22 07:04:06 +08:00
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comm_modify vel yes
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2012-07-04 06:16:40 +08:00
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compute effTemp all temp/eff
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thermo 5
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thermo_style custom step etotal pe ke temp press
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thermo_modify temp effTemp
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fix 1 all nve/eff
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run 100
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2018-03-22 07:04:06 +08:00
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Neighbor list info ...
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update every 1 steps, delay 10 steps, check yes
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max neighbors/atom: 6000, page size: 60000
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master list distance cutoff = 14
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ghost atom cutoff = 14
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binsize = 7, bins = 6 6 6
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1 neighbor lists, perpetual/occasional/extra = 1 0 0
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(1) pair eff/cut, perpetual
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attributes: half, newton on
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pair build: half/bin/atomonly/newton
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stencil: half/bin/3d/newton
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bin: standard
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Per MPI rank memory allocation (min/avg/max) = 370.9 | 370.9 | 370.9 Mbytes
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2012-07-04 06:16:40 +08:00
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Step TotEng PotEng KinEng Temp Press
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0 4046.5854 796.63785 3249.9475 42763.133 4.4764483e+12
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5 4046.5854 796.95799 3249.6274 42758.92 4.4728546e+12
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10 4046.5854 797.71165 3248.8737 42749.004 4.4690821e+12
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15 4046.5854 798.8949 3247.6905 42733.435 4.4651331e+12
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20 4046.5854 800.50332 3246.0821 42712.271 4.4610102e+12
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25 4046.5854 802.53206 3244.0534 42685.577 4.456716e+12
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30 4046.5855 804.97579 3241.6097 42653.422 4.4522535e+12
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35 4046.5855 807.82873 3238.7567 42615.883 4.4476257e+12
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40 4046.5855 811.08467 3235.5008 42573.041 4.4428357e+12
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45 4046.5855 814.73696 3231.8485 42524.984 4.437887e+12
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50 4046.5855 818.77851 3227.807 42471.806 4.432783e+12
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55 4046.5855 823.20183 3223.3837 42413.603 4.4275273e+12
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60 4046.5856 827.99901 3218.5866 42350.482 4.4221238e+12
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65 4046.5856 833.16176 3213.4238 42282.55 4.4165764e+12
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70 4046.5856 838.68137 3207.9042 42209.923 4.4108891e+12
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75 4046.5856 844.54877 3202.0369 42132.719 4.4050662e+12
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80 4046.5857 850.75454 3195.8311 42051.064 4.399112e+12
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85 4046.5857 857.28886 3189.2968 41965.085 4.393031e+12
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90 4046.5857 864.14162 3182.4441 41874.916 4.3868277e+12
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95 4046.5857 871.30234 3175.2834 41780.695 4.3805068e+12
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100 4046.5858 878.76023 3167.8255 41682.563 4.3740731e+12
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2018-03-22 09:26:46 +08:00
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Loop time of 323.031 on 1 procs for 100 steps with 32000 atoms
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2012-07-04 06:16:40 +08:00
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2018-03-22 09:26:46 +08:00
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Performance: 26.747 fs/day, 0.897 hours/fs, 0.310 timesteps/s
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2018-03-22 07:04:06 +08:00
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99.8% CPU use with 1 MPI tasks x 1 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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2018-03-22 09:26:46 +08:00
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Pair | 322.78 | 322.78 | 322.78 | 0.0 | 99.92
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2018-03-22 07:04:06 +08:00
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Neigh | 0 | 0 | 0 | 0.0 | 0.00
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2018-03-22 09:26:46 +08:00
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Comm | 0.1876 | 0.1876 | 0.1876 | 0.0 | 0.06
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Output | 0.0027025 | 0.0027025 | 0.0027025 | 0.0 | 0.00
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Modify | 0.032475 | 0.032475 | 0.032475 | 0.0 | 0.01
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Other | | 0.02538 | | | 0.01
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2012-07-04 06:16:40 +08:00
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Nlocal: 32000 ave 32000 max 32000 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Nghost: 114349 ave 114349 max 114349 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 8.10572e+07 ave 8.10572e+07 max 8.10572e+07 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 81057159
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Ave neighs/atom = 2533.04
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Neighbor list builds = 0
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Dangerous builds = 0
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2018-03-22 07:04:06 +08:00
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Please see the log.cite file for references relevant to this simulation
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2018-03-22 09:26:46 +08:00
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Total wall time: 0:05:27
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