forked from lijiext/lammps
42 lines
1.9 KiB
Groff
42 lines
1.9 KiB
Groff
LAMMPS (15 Jan 2012)
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Reading data file ...
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triclinic box = (0 0 0) to (60.4 29.76 29.76) with tilt (0 0 0)
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1 by 1 by 1 MPI processor grid
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4126 atoms
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924 atoms in group type1
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1618 atoms in group type2
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1584 atoms in group type3
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Pair COMB:
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generating Coulomb integral lookup table ...
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will not apply over-coordination correction ...
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Setting up run ...
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Memory usage per processor = 21.1267 Mbytes
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Step Temp Press press2 PotEng pe1 E_vdwl E_coul q1 q2 q3
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0 0 -21062.812 -21062.812 -5.3043735 -5.3043735 1.8604245 -7.1647981 2.6805356 -1.5705518 0.040617531
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1 0.023813704 -21346.515 -21346.515 -5.3439862 -5.3439862 1.7891755 -7.1331617 2.6805356 -1.5705518 0.040617531
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2 0.097355041 -21345.896 -21345.896 -5.3439956 -5.3439956 1.7891688 -7.1331644 2.6805356 -1.5705518 0.040617531
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3 0.22149765 -21344.815 -21344.815 -5.3433952 -5.3433952 1.7897739 -7.133169 2.6805356 -1.5705519 0.040617609
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4 0.3962327 -21349.639 -21349.639 -5.3426042 -5.3426042 1.7905718 -7.133176 2.6805352 -1.5705524 0.04061831
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5 0.62154938 -21346.85 -21346.85 -5.3426337 -5.3426337 1.7905512 -7.1331848 2.680535 -1.5705527 0.040618753
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Loop time of 3.36797 on 1 procs for 5 steps with 4126 atoms
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Pair time (%) = 1.76898 (52.5237)
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Neigh time (%) = 0 (0)
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Comm time (%) = 0.000701077 (0.020816)
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Outpt time (%) = 0.0628298 (1.86551)
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Other time (%) = 1.53546 (45.59)
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Nlocal: 4126 ave 4126 max 4126 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Nghost: 17632 ave 17632 max 17632 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 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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FullNghs: 3.29951e+06 ave 3.29951e+06 max 3.29951e+06 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 3299506
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Ave neighs/atom = 799.686
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Neighbor list builds = 0
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Dangerous builds = 0
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