59 lines
2.0 KiB
Plaintext
Executable File
59 lines
2.0 KiB
Plaintext
Executable File
LAMMPS (16 Jul 2018)
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Reading data file ...
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orthogonal box = (0 0 0) to (5.431 5.431 5.431)
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2 by 2 by 1 MPI processor grid
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reading atoms ...
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8 atoms
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Finding 1-2 1-3 1-4 neighbors ...
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special bond factors lj: 0 0 0
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special bond factors coul: 0 0 0
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0 = max # of 1-2 neighbors
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0 = max # of 1-3 neighbors
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0 = max # of 1-4 neighbors
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1 = max # of special neighbors
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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: 2000, page size: 100000
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master list distance cutoff = 4
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ghost atom cutoff = 4
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binsize = 2, bins = 3 3 3
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1 neighbor lists, perpetual/occasional/extra = 1 0 0
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(1) pair tersoff, perpetual
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attributes: full, newton on
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pair build: full/bin
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stencil: full/bin/3d
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bin: standard
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Calculating Anharmonic Dynamical Matrix...
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Third Order calculation took 0.043923 seconds
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Finished Calculating Third Order Tensor
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Loop time of 1.22619e+06 on 4 procs for 0 steps with 8 atoms
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0.0% CPU use with 4 MPI tasks x no 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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Pair | 0.013707 | 0.016582 | 0.019588 | 2.2 | 0.00
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Bond | 8.1341e-05 | 8.7207e-05 | 9.3228e-05 | 0.0 | 0.00
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Neigh | 0 | 0 | 0 | 0.0 | 0.00
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Comm | 0.019285 | 0.022435 | 0.025684 | 2.0 | 0.00
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Output | 0 | 0 | 0 | 0.0 | 0.00
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Modify | 0 | 0 | 0 | 0.0 | 0.00
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Other | | 1.226e+06 | | |100.00
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Nlocal: 2 ave 2 max 2 min
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Histogram: 4 0 0 0 0 0 0 0 0 0
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Nghost: 56 ave 56 max 56 min
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Histogram: 4 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: 4 0 0 0 0 0 0 0 0 0
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FullNghs: 32 ave 32 max 32 min
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Histogram: 4 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 128
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Ave neighs/atom = 16
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Ave special neighs/atom = 0
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Neighbor list builds = 0
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Dangerous builds = 0
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Total wall time: 0:00:00
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