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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4 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 = 6.79283 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 2.6798318 -1.5698303 0.040291062
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1 0.023888728 -21163.818 -21163.818 -5.3427798 -5.3427798 1.7871886 -7.1299684 2.6798318 -1.5698303 0.040291062
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2 0.098109014 -21163.183 -21163.183 -5.3427893 -5.3427893 1.7871818 -7.1299711 2.6798318 -1.5698303 0.040291093
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3 0.22363505 -21162.05 -21162.05 -5.3421888 -5.3421888 1.7877871 -7.1299759 2.6798319 -1.5698306 0.040291257
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4 0.40045674 -21166.773 -21166.773 -5.3413974 -5.3413974 1.7885853 -7.1299827 2.6798315 -1.5698312 0.040292196
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5 0.62856184 -21163.703 -21163.703 -5.3414244 -5.3414244 1.7885645 -7.1299889 2.6798312 -1.5698318 0.040292934
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Loop time of 1.73989 on 4 procs for 5 steps with 4126 atoms
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Pair time (%) = 0.608392 (34.9672)
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Neigh time (%) = 0 (0)
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Comm time (%) = 0.133629 (7.68031)
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Outpt time (%) = 0.0849069 (4.88)
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Other time (%) = 0.912965 (52.4725)
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Nlocal: 1031.5 ave 1145 max 968 min
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Histogram: 2 0 0 0 1 0 0 0 0 1
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Nghost: 9375.5 ave 9558 max 9080 min
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Histogram: 1 0 0 0 1 0 0 0 0 2
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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: 824876 ave 982154 max 726654 min
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Histogram: 2 0 0 0 1 0 0 0 0 1
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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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