add reference outputs to example input
This commit is contained in:
Axel Kohlmeyer
125
examples/gjf/log.15Oct19.gjf.vfull.g++.1
Normal file
125
examples/gjf/log.15Oct19.gjf.vfull.g++.1
Normal file
@ -0,0 +1,125 @@
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LAMMPS (19 Sep 2019)
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using 1 OpenMP thread(s) per MPI task
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# GJF-2GJ thermostat
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units metal
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atom_style full
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boundary p p p
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read_data argon.lmp
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orthogonal box = (0 0 0) to (32.146 32.146 32.146)
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1 by 1 by 1 MPI processor grid
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reading atoms ...
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864 atoms
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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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special bonds CPU = 0.000150019 secs
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read_data CPU = 0.001946 secs
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include ff-argon.lmp
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#############################
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#Atoms types - mass - charge#
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#############################
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#@ 1 atom types #!THIS LINE IS NECESSARY DON'T SPEND HOURS FINDING THAT OUT!#
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variable Ar equal 1
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#############
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#Atom Masses#
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#############
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mass ${Ar} 39.903
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mass 1 39.903
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###########################
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#Pair Potentials - Tersoff#
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###########################
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pair_style lj/cubic
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pair_coeff * * 0.0102701 3.42
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velocity all create 10 2357 mom yes dist gaussian
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neighbor 1 bin
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timestep 0.1
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fix lang all langevin 10 10 1 26488 gjf vfull
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fix nve all nve
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thermo 200
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run 5000
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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 = 6.94072
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ghost atom cutoff = 6.94072
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binsize = 3.47036, bins = 10 10 10
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1 neighbor lists, perpetual/occasional/extra = 1 0 0
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(1) pair lj/cubic, perpetual
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attributes: half, newton on
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pair build: half/bin/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) = 6.875 | 6.875 | 6.875 Mbytes
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Step Temp E_pair E_mol TotEng Press
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0 11.080223 -56.207655 0 -54.97164 37.215524
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200 8.2588471 -55.073602 0 -54.152316 339.80416
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400 8.1427292 -55.072244 0 -54.16391 338.91883
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600 8.7595618 -55.066739 0 -54.089596 344.25426
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800 8.550633 -55.148315 0 -54.194479 318.9385
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1000 8.5394337 -55.125709 0 -54.173122 326.59471
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1200 8.565973 -55.114892 0 -54.159345 328.5193
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1400 8.2092914 -55.109233 0 -54.193475 329.56161
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1600 8.209495 -55.138161 0 -54.22238 321.39971
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1800 8.4039924 -55.13355 0 -54.196072 322.64214
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2000 8.4548937 -55.062994 0 -54.119838 343.29888
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2200 8.3775139 -55.13364 0 -54.199116 323.63744
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2400 8.537332 -55.163702 0 -54.21135 315.62864
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2600 8.672488 -55.112054 0 -54.144625 330.1106
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2800 8.3000218 -55.147275 0 -54.221396 318.73112
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3000 8.3552421 -55.135164 0 -54.203124 323.53075
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3200 8.4126798 -55.135753 0 -54.197306 321.48817
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3400 8.4986413 -55.135408 0 -54.187372 323.42951
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3600 8.38431 -55.103932 0 -54.16865 330.68929
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3800 8.8262454 -55.103648 0 -54.119067 332.97779
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4000 7.9658136 -55.120402 0 -54.231803 324.9595
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4200 8.2265544 -55.129011 0 -54.211327 323.87069
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4400 8.1253738 -55.153089 0 -54.246691 316.304
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4600 8.2010823 -55.124053 0 -54.20921 325.98402
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4800 8.5512149 -55.075877 0 -54.121976 338.30137
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5000 8.4737659 -55.158604 0 -54.213343 316.22418
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Loop time of 2.73236 on 1 procs for 5000 steps with 864 atoms
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Performance: 15810.507 ns/day, 0.002 hours/ns, 1829.920 timesteps/s
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99.7% 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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Pair | 1.4262 | 1.4262 | 1.4262 | 0.0 | 52.20
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Bond | 0.00042836 | 0.00042836 | 0.00042836 | 0.0 | 0.02
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Neigh | 0.12819 | 0.12819 | 0.12819 | 0.0 | 4.69
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Comm | 0.058611 | 0.058611 | 0.058611 | 0.0 | 2.15
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Output | 0.00047283 | 0.00047283 | 0.00047283 | 0.0 | 0.02
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Modify | 1.0924 | 1.0924 | 1.0924 | 0.0 | 39.98
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Other | | 0.02605 | | | 0.95
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Nlocal: 864 ave 864 max 864 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Nghost: 1593 ave 1593 max 1593 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 18143 ave 18143 max 18143 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 18143
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Ave neighs/atom = 20.9988
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Ave special neighs/atom = 0
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Neighbor list builds = 158
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Dangerous builds = 5
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Total wall time: 0:00:02
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125
examples/gjf/log.15Oct19.gjf.vfull.g++.4
Normal file
125
examples/gjf/log.15Oct19.gjf.vfull.g++.4
Normal file
@ -0,0 +1,125 @@
|
|||||||
|
LAMMPS (19 Sep 2019)
|
||||||
|
using 1 OpenMP thread(s) per MPI task
|
||||||
|
# GJF-2GJ thermostat
|
||||||
|
|
||||||
|
units metal
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||||||
|
atom_style full
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||||||
|
|
||||||
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boundary p p p
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||||||
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read_data argon.lmp
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||||||
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orthogonal box = (0 0 0) to (32.146 32.146 32.146)
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1 by 2 by 2 MPI processor grid
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reading atoms ...
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864 atoms
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0 = max # of 1-2 neighbors
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0 = max # of 1-3 neighbors
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||||||
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0 = max # of 1-4 neighbors
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||||||
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1 = max # of special neighbors
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special bonds CPU = 0.000556268 secs
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read_data CPU = 0.003817 secs
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include ff-argon.lmp
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#############################
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||||||
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#Atoms types - mass - charge#
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||||||
|
#############################
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||||||
|
#@ 1 atom types #!THIS LINE IS NECESSARY DON'T SPEND HOURS FINDING THAT OUT!#
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||||||
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||||||
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variable Ar equal 1
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#############
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#Atom Masses#
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#############
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mass ${Ar} 39.903
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mass 1 39.903
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###########################
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||||||
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#Pair Potentials - Tersoff#
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||||||
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###########################
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||||||
|
|
||||||
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pair_style lj/cubic
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||||||
|
pair_coeff * * 0.0102701 3.42
|
||||||
|
|
||||||
|
|
||||||
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velocity all create 10 2357 mom yes dist gaussian
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||||||
|
|
||||||
|
neighbor 1 bin
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||||||
|
|
||||||
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timestep 0.1
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||||||
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||||||
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fix lang all langevin 10 10 1 26488 gjf vfull
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||||||
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fix nve all nve
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||||||
|
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||||||
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thermo 200
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run 5000
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||||||
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Neighbor list info ...
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||||||
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update every 1 steps, delay 10 steps, check yes
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||||||
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max neighbors/atom: 2000, page size: 100000
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||||||
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master list distance cutoff = 6.94072
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||||||
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ghost atom cutoff = 6.94072
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||||||
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binsize = 3.47036, bins = 10 10 10
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||||||
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1 neighbor lists, perpetual/occasional/extra = 1 0 0
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||||||
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(1) pair lj/cubic, perpetual
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||||||
|
attributes: half, newton on
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||||||
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pair build: half/bin/newton
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||||||
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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) = 6.808 | 6.808 | 6.808 Mbytes
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Step Temp E_pair E_mol TotEng Press
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0 11.080228 -56.207655 0 -54.971639 37.215541
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200 8.4818184 -55.127334 0 -54.181174 324.96159
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400 8.5960916 -55.09236 0 -54.133453 334.83136
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600 8.1607556 -55.073136 0 -54.162791 339.035
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800 8.8350489 -55.133382 0 -54.147819 324.48149
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1000 8.5692704 -55.118463 0 -54.162548 327.26328
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1200 8.4174147 -55.126297 0 -54.187322 324.4248
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1400 8.6362603 -55.123075 0 -54.159688 326.7798
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1600 8.222512 -55.153799 0 -54.236565 317.8147
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1800 8.324523 -55.116698 0 -54.188085 327.35373
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2000 7.9615959 -55.155825 0 -54.267697 315.37215
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2200 8.495968 -55.083943 0 -54.136205 336.67775
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2400 7.7926986 -55.044816 0 -54.175529 344.87758
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2600 8.1551351 -55.069404 0 -54.159687 339.60901
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2800 8.2593599 -55.084151 0 -54.162807 336.54935
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3000 8.2860869 -55.110296 0 -54.185971 328.99074
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3200 8.4074534 -55.123576 0 -54.185712 326.06823
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3400 8.6694364 -55.128925 0 -54.161836 324.67512
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3600 8.5718984 -55.129861 0 -54.173653 325.20586
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3800 8.508102 -55.099093 0 -54.150001 333.91437
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4000 8.2966658 -55.117782 0 -54.192276 327.13516
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4200 8.7641728 -55.135792 0 -54.158136 324.00844
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4400 8.8827909 -55.096369 0 -54.10548 335.08467
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4600 8.7666577 -55.127213 0 -54.149279 326.15539
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4800 8.6670762 -55.163395 0 -54.19657 316.48383
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5000 8.1893094 -55.073756 0 -54.160226 337.95271
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Loop time of 0.870594 on 4 procs for 5000 steps with 864 atoms
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Performance: 49621.267 ns/day, 0.000 hours/ns, 5743.202 timesteps/s
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96.5% CPU use with 4 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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Pair | 0.33582 | 0.35125 | 0.3724 | 2.3 | 40.35
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Bond | 0.00030267 | 0.00031316 | 0.00033538 | 0.0 | 0.04
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Neigh | 0.034246 | 0.03479 | 0.035904 | 0.4 | 4.00
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Comm | 0.15068 | 0.17419 | 0.19191 | 3.6 | 20.01
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Output | 0.00044776 | 0.00054703 | 0.00083177 | 0.0 | 0.06
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Modify | 0.27679 | 0.28079 | 0.28849 | 0.9 | 32.25
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Other | | 0.02871 | | | 3.30
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Nlocal: 216 ave 216 max 216 min
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Histogram: 4 0 0 0 0 0 0 0 0 0
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Nghost: 888.75 ave 899 max 876 min
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Histogram: 1 0 1 0 0 0 0 0 0 2
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Neighs: 4536 ave 4737 max 4335 min
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Histogram: 2 0 0 0 0 0 0 0 0 2
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Total # of neighbors = 18144
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||||||
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Ave neighs/atom = 21
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Ave special neighs/atom = 0
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||||||
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Neighbor list builds = 178
|
||||||
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Dangerous builds = 11
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|
||||||
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|
||||||
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Total wall time: 0:00:00
|
||||||
125
examples/gjf/log.15Oct19.gjf.vhalf.g++.1
Normal file
125
examples/gjf/log.15Oct19.gjf.vhalf.g++.1
Normal file
@ -0,0 +1,125 @@
|
|||||||
|
LAMMPS (19 Sep 2019)
|
||||||
|
using 1 OpenMP thread(s) per MPI task
|
||||||
|
# GJF-2GJ thermostat
|
||||||
|
|
||||||
|
units metal
|
||||||
|
atom_style full
|
||||||
|
|
||||||
|
boundary p p p
|
||||||
|
read_data argon.lmp
|
||||||
|
orthogonal box = (0 0 0) to (32.146 32.146 32.146)
|
||||||
|
1 by 1 by 1 MPI processor grid
|
||||||
|
reading atoms ...
|
||||||
|
864 atoms
|
||||||
|
0 = max # of 1-2 neighbors
|
||||||
|
0 = max # of 1-3 neighbors
|
||||||
|
0 = max # of 1-4 neighbors
|
||||||
|
1 = max # of special neighbors
|
||||||
|
special bonds CPU = 0.000147804 secs
|
||||||
|
read_data CPU = 0.00194898 secs
|
||||||
|
|
||||||
|
include ff-argon.lmp
|
||||||
|
#############################
|
||||||
|
#Atoms types - mass - charge#
|
||||||
|
#############################
|
||||||
|
#@ 1 atom types #!THIS LINE IS NECESSARY DON'T SPEND HOURS FINDING THAT OUT!#
|
||||||
|
|
||||||
|
variable Ar equal 1
|
||||||
|
|
||||||
|
#############
|
||||||
|
#Atom Masses#
|
||||||
|
#############
|
||||||
|
|
||||||
|
mass ${Ar} 39.903
|
||||||
|
mass 1 39.903
|
||||||
|
|
||||||
|
###########################
|
||||||
|
#Pair Potentials - Tersoff#
|
||||||
|
###########################
|
||||||
|
|
||||||
|
pair_style lj/cubic
|
||||||
|
pair_coeff * * 0.0102701 3.42
|
||||||
|
|
||||||
|
|
||||||
|
velocity all create 10 2357 mom yes dist gaussian
|
||||||
|
|
||||||
|
neighbor 1 bin
|
||||||
|
|
||||||
|
timestep 0.1
|
||||||
|
|
||||||
|
fix lang all langevin 10 10 1 26488 gjf vhalf
|
||||||
|
fix nve all nve
|
||||||
|
|
||||||
|
thermo 200
|
||||||
|
run 5000
|
||||||
|
Neighbor list info ...
|
||||||
|
update every 1 steps, delay 10 steps, check yes
|
||||||
|
max neighbors/atom: 2000, page size: 100000
|
||||||
|
master list distance cutoff = 6.94072
|
||||||
|
ghost atom cutoff = 6.94072
|
||||||
|
binsize = 3.47036, bins = 10 10 10
|
||||||
|
1 neighbor lists, perpetual/occasional/extra = 1 0 0
|
||||||
|
(1) pair lj/cubic, perpetual
|
||||||
|
attributes: half, newton on
|
||||||
|
pair build: half/bin/newton
|
||||||
|
stencil: half/bin/3d/newton
|
||||||
|
bin: standard
|
||||||
|
Per MPI rank memory allocation (min/avg/max) = 6.5 | 6.5 | 6.5 Mbytes
|
||||||
|
Step Temp E_pair E_mol TotEng Press
|
||||||
|
0 11.080223 -56.207655 0 -54.97164 37.215524
|
||||||
|
200 9.8808568 -55.073602 0 -53.971378 345.62207
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||||||
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400 9.8712816 -55.072244 0 -53.971088 345.11889
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||||||
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600 10.528988 -55.066739 0 -53.892214 350.60093
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||||||
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800 10.167171 -55.148315 0 -54.014152 324.73679
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||||||
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1000 10.029026 -55.125709 0 -54.006956 331.93766
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||||||
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1200 10.194424 -55.114892 0 -53.977688 334.36032
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||||||
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1400 9.3473846 -55.109233 0 -54.066518 333.64378
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||||||
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1600 9.7774071 -55.138161 0 -54.047477 327.02358
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||||||
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1800 9.9814275 -55.13355 0 -54.020107 328.30017
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||||||
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2000 10.2515 -55.062994 0 -53.919424 349.74304
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||||||
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2200 9.8126922 -55.13364 0 -54.039019 328.78521
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||||||
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2400 10.044314 -55.163702 0 -54.043244 321.03397
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||||||
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2600 10.543316 -55.112054 0 -53.935932 336.82099
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||||||
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2800 9.7874375 -55.147275 0 -54.055472 324.06626
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||||||
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3000 9.7703821 -55.135164 0 -54.045263 328.60665
|
||||||
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3200 10.141958 -55.135753 0 -54.004402 327.69084
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||||||
|
3400 10.160576 -55.135408 0 -54.00198 329.39063
|
||||||
|
3600 10.044652 -55.103932 0 -53.983436 336.64469
|
||||||
|
3800 10.662403 -55.103648 0 -53.914241 339.56382
|
||||||
|
4000 9.2921047 -55.120402 0 -54.083853 329.71671
|
||||||
|
4200 9.8744553 -55.129011 0 -54.027501 329.78147
|
||||||
|
4400 9.4085964 -55.153089 0 -54.103546 320.90673
|
||||||
|
4600 9.5463801 -55.124053 0 -54.05914 330.80941
|
||||||
|
4800 10.223884 -55.075877 0 -53.935387 344.30099
|
||||||
|
5000 9.6243338 -55.158604 0 -54.084996 320.3511
|
||||||
|
Loop time of 2.29551 on 1 procs for 5000 steps with 864 atoms
|
||||||
|
|
||||||
|
Performance: 18819.358 ns/day, 0.001 hours/ns, 2178.166 timesteps/s
|
||||||
|
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads
|
||||||
|
|
||||||
|
MPI task timing breakdown:
|
||||||
|
Section | min time | avg time | max time |%varavg| %total
|
||||||
|
---------------------------------------------------------------
|
||||||
|
Pair | 1.4393 | 1.4393 | 1.4393 | 0.0 | 62.70
|
||||||
|
Bond | 0.0004441 | 0.0004441 | 0.0004441 | 0.0 | 0.02
|
||||||
|
Neigh | 0.12136 | 0.12136 | 0.12136 | 0.0 | 5.29
|
||||||
|
Comm | 0.059342 | 0.059342 | 0.059342 | 0.0 | 2.59
|
||||||
|
Output | 0.00046968 | 0.00046968 | 0.00046968 | 0.0 | 0.02
|
||||||
|
Modify | 0.64937 | 0.64937 | 0.64937 | 0.0 | 28.29
|
||||||
|
Other | | 0.02522 | | | 1.10
|
||||||
|
|
||||||
|
Nlocal: 864 ave 864 max 864 min
|
||||||
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||||
|
Nghost: 1593 ave 1593 max 1593 min
|
||||||
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||||
|
Neighs: 18143 ave 18143 max 18143 min
|
||||||
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||||
|
|
||||||
|
Total # of neighbors = 18143
|
||||||
|
Ave neighs/atom = 20.9988
|
||||||
|
Ave special neighs/atom = 0
|
||||||
|
Neighbor list builds = 158
|
||||||
|
Dangerous builds = 5
|
||||||
|
|
||||||
|
|
||||||
|
Total wall time: 0:00:02
|
||||||
125
examples/gjf/log.15Oct19.gjf.vhalf.g++.4
Normal file
125
examples/gjf/log.15Oct19.gjf.vhalf.g++.4
Normal file
@ -0,0 +1,125 @@
|
|||||||
|
LAMMPS (19 Sep 2019)
|
||||||
|
using 1 OpenMP thread(s) per MPI task
|
||||||
|
# GJF-2GJ thermostat
|
||||||
|
|
||||||
|
units metal
|
||||||
|
atom_style full
|
||||||
|
|
||||||
|
boundary p p p
|
||||||
|
read_data argon.lmp
|
||||||
|
orthogonal box = (0 0 0) to (32.146 32.146 32.146)
|
||||||
|
1 by 2 by 2 MPI processor grid
|
||||||
|
reading atoms ...
|
||||||
|
864 atoms
|
||||||
|
0 = max # of 1-2 neighbors
|
||||||
|
0 = max # of 1-3 neighbors
|
||||||
|
0 = max # of 1-4 neighbors
|
||||||
|
1 = max # of special neighbors
|
||||||
|
special bonds CPU = 0.000315903 secs
|
||||||
|
read_data CPU = 0.0653752 secs
|
||||||
|
|
||||||
|
include ff-argon.lmp
|
||||||
|
#############################
|
||||||
|
#Atoms types - mass - charge#
|
||||||
|
#############################
|
||||||
|
#@ 1 atom types #!THIS LINE IS NECESSARY DON'T SPEND HOURS FINDING THAT OUT!#
|
||||||
|
|
||||||
|
variable Ar equal 1
|
||||||
|
|
||||||
|
#############
|
||||||
|
#Atom Masses#
|
||||||
|
#############
|
||||||
|
|
||||||
|
mass ${Ar} 39.903
|
||||||
|
mass 1 39.903
|
||||||
|
|
||||||
|
###########################
|
||||||
|
#Pair Potentials - Tersoff#
|
||||||
|
###########################
|
||||||
|
|
||||||
|
pair_style lj/cubic
|
||||||
|
pair_coeff * * 0.0102701 3.42
|
||||||
|
|
||||||
|
|
||||||
|
velocity all create 10 2357 mom yes dist gaussian
|
||||||
|
|
||||||
|
neighbor 1 bin
|
||||||
|
|
||||||
|
timestep 0.1
|
||||||
|
|
||||||
|
fix lang all langevin 10 10 1 26488 gjf vhalf
|
||||||
|
fix nve all nve
|
||||||
|
|
||||||
|
thermo 200
|
||||||
|
run 5000
|
||||||
|
Neighbor list info ...
|
||||||
|
update every 1 steps, delay 10 steps, check yes
|
||||||
|
max neighbors/atom: 2000, page size: 100000
|
||||||
|
master list distance cutoff = 6.94072
|
||||||
|
ghost atom cutoff = 6.94072
|
||||||
|
binsize = 3.47036, bins = 10 10 10
|
||||||
|
1 neighbor lists, perpetual/occasional/extra = 1 0 0
|
||||||
|
(1) pair lj/cubic, perpetual
|
||||||
|
attributes: half, newton on
|
||||||
|
pair build: half/bin/newton
|
||||||
|
stencil: half/bin/3d/newton
|
||||||
|
bin: standard
|
||||||
|
Per MPI rank memory allocation (min/avg/max) = 6.433 | 6.433 | 6.433 Mbytes
|
||||||
|
Step Temp E_pair E_mol TotEng Press
|
||||||
|
0 11.080228 -56.207655 0 -54.971639 37.215541
|
||||||
|
200 9.8046716 -55.127334 0 -54.033608 329.70647
|
||||||
|
400 10.174622 -55.09236 0 -53.957366 340.49331
|
||||||
|
600 9.9812299 -55.073136 0 -53.959714 345.56477
|
||||||
|
800 10.512874 -55.133382 0 -53.960655 330.4996
|
||||||
|
1000 9.9587885 -55.118463 0 -54.007545 332.24728
|
||||||
|
1200 10.236607 -55.126297 0 -53.984388 330.94998
|
||||||
|
1400 10.134679 -55.123075 0 -53.992537 332.15441
|
||||||
|
1600 9.8934078 -55.153799 0 -54.050174 323.80795
|
||||||
|
1800 10.064966 -55.116698 0 -53.993936 333.59644
|
||||||
|
2000 9.6736107 -55.155825 0 -54.076719 321.5129
|
||||||
|
2200 10.264537 -55.083943 0 -53.938918 343.02135
|
||||||
|
2400 9.5640032 -55.044816 0 -53.977937 351.23099
|
||||||
|
2600 9.6581077 -55.069404 0 -53.992028 344.99996
|
||||||
|
2800 9.9622575 -55.084151 0 -53.972846 342.6574
|
||||||
|
3000 9.8724909 -55.110296 0 -54.009005 334.68094
|
||||||
|
3200 10.032027 -55.123576 0 -54.004488 331.89534
|
||||||
|
3400 10.221132 -55.128925 0 -53.988742 330.24082
|
||||||
|
3600 10.085802 -55.129861 0 -54.004774 330.63601
|
||||||
|
3800 10.098545 -55.099093 0 -53.972585 339.61905
|
||||||
|
4000 10.000257 -55.117782 0 -54.002238 333.24569
|
||||||
|
4200 10.20477 -55.135792 0 -53.997435 329.17565
|
||||||
|
4400 10.545132 -55.096369 0 -53.920044 341.04725
|
||||||
|
4600 10.376108 -55.127213 0 -53.969743 331.92825
|
||||||
|
4800 10.247392 -55.163395 0 -54.020283 322.15219
|
||||||
|
5000 9.7753102 -55.073756 0 -53.983305 343.64146
|
||||||
|
Loop time of 1.19785 on 4 procs for 5000 steps with 864 atoms
|
||||||
|
|
||||||
|
Performance: 36064.674 ns/day, 0.001 hours/ns, 4174.152 timesteps/s
|
||||||
|
88.6% CPU use with 4 MPI tasks x 1 OpenMP threads
|
||||||
|
|
||||||
|
MPI task timing breakdown:
|
||||||
|
Section | min time | avg time | max time |%varavg| %total
|
||||||
|
---------------------------------------------------------------
|
||||||
|
Pair | 0.36387 | 0.38652 | 0.44086 | 5.1 | 32.27
|
||||||
|
Bond | 0.00028847 | 0.00030833 | 0.000338 | 0.0 | 0.03
|
||||||
|
Neigh | 0.033934 | 0.034959 | 0.036917 | 0.6 | 2.92
|
||||||
|
Comm | 0.39292 | 0.47821 | 0.52198 | 7.3 | 39.92
|
||||||
|
Output | 0.00050343 | 0.0012343 | 0.0023338 | 1.9 | 0.10
|
||||||
|
Modify | 0.1605 | 0.17963 | 0.19457 | 2.9 | 15.00
|
||||||
|
Other | | 0.117 | | | 9.77
|
||||||
|
|
||||||
|
Nlocal: 216 ave 216 max 216 min
|
||||||
|
Histogram: 4 0 0 0 0 0 0 0 0 0
|
||||||
|
Nghost: 888.75 ave 899 max 876 min
|
||||||
|
Histogram: 1 0 1 0 0 0 0 0 0 2
|
||||||
|
Neighs: 4536 ave 4737 max 4335 min
|
||||||
|
Histogram: 2 0 0 0 0 0 0 0 0 2
|
||||||
|
|
||||||
|
Total # of neighbors = 18144
|
||||||
|
Ave neighs/atom = 21
|
||||||
|
Ave special neighs/atom = 0
|
||||||
|
Neighbor list builds = 178
|
||||||
|
Dangerous builds = 11
|
||||||
|
|
||||||
|
|
||||||
|
Total wall time: 0:00:01
|
||||||
Reference in New Issue
Block a user