Homec4science
Diffusion lammps (lammm-devel) Browse

lammps/examples/granregion/log.6Oct16.granregion.funnel.g++.1
b3d2fb91bb6clammm-devel

Last Change
Raw File

log.6Oct16.granregion.funnel.g++.1
View Options

LAMMPS (5 Oct 2016)
# pour particles into cone-shaped funnel, settle them, let them run out bottom
variable name string funnel_pour
thermo_modify flush yes
units si
variable PI equal 3.141592653589
variable seed equal 14314
###############################################
# Geometry-related parameters
###############################################
variable xlo equal 10
variable xhi equal 40
variable ylo equal 10
variable yhi equal 40
variable zlo equal -20
variable zhi equal 50
variable xc equal 25
variable yc equal 25
variable zconehi equal 50
variable zconelo equal 10
variable zcyllo equal 0
variable radconelo equal 2
variable radconehi equal 20
################################################
# Particle sizes
################################################
variable rlo equal 0.25
variable rhi equal 0.5
variable dlo equal 2.0*${rlo}
variable dlo equal 2.0*0.25
variable dhi equal 2.0*${rhi}
variable dhi equal 2.0*0.5
variable skin equal ${rhi}
variable skin equal 0.5
###############################################
# Granular contact parameters
###############################################
variable coeffRes equal 0.1
variable coeffFric equal 0.5
variable density equal 1.0
variable EYoung equal 10^5
variable Poisson equal 2.0/7.0
variable GShear equal ${EYoung}/(2*(1+${Poisson}))
variable GShear equal 100000/(2*(1+${Poisson}))
variable GShear equal 100000/(2*(1+0.285714285714286))
variable gravity equal 1.0
variable reff equal 0.5*(${rhi}+${rlo})
variable reff equal 0.5*(0.5+${rlo})
variable reff equal 0.5*(0.5+0.25)
variable meff equal ${density}*4.0/3.0*${PI}*${reff}^3
variable meff equal 1*4.0/3.0*${PI}*${reff}^3
variable meff equal 1*4.0/3.0*3.141592653589*${reff}^3
variable meff equal 1*4.0/3.0*3.141592653589*0.375^3
variable min_mass equal ${density}*4.0/3.0*${PI}*${rlo}*${rlo}*${rlo}
variable min_mass equal 1*4.0/3.0*${PI}*${rlo}*${rlo}*${rlo}
variable min_mass equal 1*4.0/3.0*3.141592653589*${rlo}*${rlo}*${rlo}
variable min_mass equal 1*4.0/3.0*3.141592653589*0.25*${rlo}*${rlo}
variable min_mass equal 1*4.0/3.0*3.141592653589*0.25*0.25*${rlo}
variable min_mass equal 1*4.0/3.0*3.141592653589*0.25*0.25*0.25
variable max_mass equal ${density}*4.0/3.0*${PI}*${rhi}*${rhi}*${rhi}
variable max_mass equal 1*4.0/3.0*${PI}*${rhi}*${rhi}*${rhi}
variable max_mass equal 1*4.0/3.0*3.141592653589*${rhi}*${rhi}*${rhi}
variable max_mass equal 1*4.0/3.0*3.141592653589*0.5*${rhi}*${rhi}
variable max_mass equal 1*4.0/3.0*3.141592653589*0.5*0.5*${rhi}
variable max_mass equal 1*4.0/3.0*3.141592653589*0.5*0.5*0.5
## Typical way to set kn, kt, etc.:
variable kn equal 4.0*${GShear}/(3*(1-${Poisson}))
variable kn equal 4.0*38888.8888888889/(3*(1-${Poisson}))
variable kn equal 4.0*38888.8888888889/(3*(1-0.285714285714286))
variable kt equal 4.0*${GShear}/(2-${Poisson})
variable kt equal 4.0*38888.8888888889/(2-${Poisson})
variable kt equal 4.0*38888.8888888889/(2-0.285714285714286)
variable a equal (-2.0*log(${coeffRes})/${PI})^2
variable a equal (-2.0*log(0.1)/${PI})^2
variable a equal (-2.0*log(0.1)/3.141592653589)^2
variable gamma_n equal sqrt($a*2*${kn}/${min_mass}/(1+0.25*$a))
variable gamma_n equal sqrt(0.405284734569556*2*${kn}/${min_mass}/(1+0.25*$a))
variable gamma_n equal sqrt(0.405284734569556*2*72592.5925925926/${min_mass}/(1+0.25*$a))
variable gamma_n equal sqrt(0.405284734569556*2*72592.5925925926/0.0654498469497708/(1+0.25*$a))
variable gamma_n equal sqrt(0.405284734569556*2*72592.5925925926/0.0654498469497708/(1+0.25*0.405284734569556))
variable gamma_t equal ${gamma_n}*0.5
variable gamma_t equal 903.503751814138*0.5
variable tcol equal ${PI}/sqrt(2*${kn}/${min_mass}-${gamma_n}/4.0)
variable tcol equal 3.141592653589/sqrt(2*${kn}/${min_mass}-${gamma_n}/4.0)
variable tcol equal 3.141592653589/sqrt(2*72592.5925925926/${min_mass}-${gamma_n}/4.0)
variable tcol equal 3.141592653589/sqrt(2*72592.5925925926/0.0654498469497708-${gamma_n}/4.0)
variable tcol equal 3.141592653589/sqrt(2*72592.5925925926/0.0654498469497708-903.503751814138/4.0)
variable dt equal ${tcol}*0.05
variable dt equal 0.00210943016014969*0.05
timestep ${dt}
timestep 0.000105471508007485
###############################################
variable dumpfreq equal 1000
variable logfreq equal 1000
newton off
atom_style sphere
boundary p p f
region boxreg block ${xlo} ${xhi} ${ylo} ${yhi} ${zlo} ${zhi}
region boxreg block 10 ${xhi} ${ylo} ${yhi} ${zlo} ${zhi}
region boxreg block 10 40 ${ylo} ${yhi} ${zlo} ${zhi}
region boxreg block 10 40 10 ${yhi} ${zlo} ${zhi}
region boxreg block 10 40 10 40 ${zlo} ${zhi}
region boxreg block 10 40 10 40 -20 ${zhi}
region boxreg block 10 40 10 40 -20 50
create_box 1 boxreg
Created orthogonal box = (10 10 -20) to (40 40 50)
1 by 1 by 1 MPI processor grid
pair_style gran/hertz/history ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1
pair_style gran/hertz/history 72592.5925925926 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1
pair_style gran/hertz/history 72592.5925925926 90740.7407407408 ${gamma_n} ${gamma_t} ${coeffFric} 1
pair_style gran/hertz/history 72592.5925925926 90740.7407407408 903.503751814138 ${gamma_t} ${coeffFric} 1
pair_style gran/hertz/history 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 ${coeffFric} 1
pair_style gran/hertz/history 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 0.5 1
pair_coeff * *
neighbor ${skin} bin
neighbor 0.5 bin
thermo ${logfreq}
thermo 1000
comm_style brick
comm_modify mode multi group all vel yes
balance 1.1 shift xyz 20 1.1
Neighbor list info ...
2 neighbor list requests
update every 1 steps, delay 10 steps, check yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 0
ghost atom cutoff = 0
binsize = 30 -> bins = 1 1 3
fix bal all balance 10000 1.1 shift xyz 20 1.01
####################### Options specific to pouring #########################
# insertion region for fix/pour
region insreg cylinder z ${xc} ${yc} 10 30 50 side in units box
region insreg cylinder z 25 ${yc} 10 30 50 side in units box
region insreg cylinder z 25 25 10 30 50 side in units box
# define cone and cylinder regions - see lammps doc on region command
# note new open options
region cylreg cylinder z ${xc} ${yc} ${radconelo} ${zcyllo} ${zconelo} side in units box open 2 #Top is open
region cylreg cylinder z 25 ${yc} ${radconelo} ${zcyllo} ${zconelo} side in units box open 2
region cylreg cylinder z 25 25 ${radconelo} ${zcyllo} ${zconelo} side in units box open 2
region cylreg cylinder z 25 25 2 ${zcyllo} ${zconelo} side in units box open 2
region cylreg cylinder z 25 25 2 0 ${zconelo} side in units box open 2
region cylreg cylinder z 25 25 2 0 10 side in units box open 2
region conereg cone z ${xc} ${yc} ${radconelo} ${radconehi} ${zconelo} ${zconehi} side in units box open 1 open 2 #Bottom and top are open
region conereg cone z 25 ${yc} ${radconelo} ${radconehi} ${zconelo} ${zconehi} side in units box open 1 open 2
region conereg cone z 25 25 ${radconelo} ${radconehi} ${zconelo} ${zconehi} side in units box open 1 open 2
region conereg cone z 25 25 2 ${radconehi} ${zconelo} ${zconehi} side in units box open 1 open 2
region conereg cone z 25 25 2 20 ${zconelo} ${zconehi} side in units box open 1 open 2
region conereg cone z 25 25 2 20 10 ${zconehi} side in units box open 1 open 2
region conereg cone z 25 25 2 20 10 50 side in units box open 1 open 2
region hopreg union 2 conereg cylreg
fix grav all gravity ${gravity} vector 0 0 -1
fix grav all gravity 1 vector 0 0 -1
fix 1 all nve/sphere
fix hopper3 all wall/gran/region hertz/history ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
fix hopper3 all wall/gran/region hertz/history 72592.5925925926 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 903.503751814138 ${gamma_t} ${coeffFric} 1 region hopreg
fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 ${coeffFric} 1 region hopreg
fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 0.5 1 region hopreg
fix ins all pour 2000 1 42424 region insreg diam range ${dlo} ${dhi} dens ${density} ${density}
fix ins all pour 2000 1 42424 region insreg diam range 0.5 ${dhi} dens ${density} ${density}
fix ins all pour 2000 1 42424 region insreg diam range 0.5 1 dens ${density} ${density}
fix ins all pour 2000 1 42424 region insreg diam range 0.5 1 dens 1 ${density}
fix ins all pour 2000 1 42424 region insreg diam range 0.5 1 dens 1 1
Particle insertion: 3000 every 59965 steps, 2000 by step 1
#dump 1 all custom ${dumpfreq} ${name}.dump # id type mass diameter x y z
#dump 2 all image 4000 image.*.jpg type type # axes yes 0.8 0.02 view 60 -30 zoom 3.0 # box no 0.0 axes no 0.0 0.0
#dump_modify 2 pad 6
thermo_style custom step cpu atoms ke
WARNING: New thermo_style command, previous thermo_modify settings will be lost (../output.cpp:690)
thermo_modify flush yes lost warn
# Initial run to fill up the cone
run 20000
Neighbor list info ...
2 neighbor list requests
update every 1 steps, delay 10 steps, check yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 1.5
ghost atom cutoff = 1.5
binsize = 0.75 -> bins = 40 40 94
Memory usage per processor = 3.59417 Mbytes
Step CPU Atoms KinEng
0 0 0 -0
1000 0.54582715 2000 -0
2000 0.93155909 2000 -0
3000 1.3159981 2000 -0
4000 1.697911 2000 -0
5000 2.080133 2000 -0
6000 2.461525 2000 -0
7000 2.842278 2000 -0
8000 3.222302 2000 -0
9000 3.6018171 2000 -0
10000 3.9843922 2000 -0
11000 4.363066 2000 -0
12000 4.743022 2000 -0
13000 5.121953 2000 -0
14000 5.5021431 2000 -0
15000 5.8807089 2000 -0
16000 6.2604752 2000 -0
17000 6.640244 2000 -0
18000 7.0199981 2000 -0
19000 7.40029 2000 -0
20000 7.7834539 2000 -0
Loop time of 7.78348 on 1 procs for 20000 steps with 2000 atoms
99.9% CPU use with 1 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.64588 | 0.64588 | 0.64588 | 0.0 | 8.30
Neigh | 0.097229 | 0.097229 | 0.097229 | 0.0 | 1.25
Comm | 0.011505 | 0.011505 | 0.011505 | 0.0 | 0.15
Output | 0.00041127 | 0.00041127 | 0.00041127 | 0.0 | 0.01
Modify | 6.8117 | 6.8117 | 6.8117 | 0.0 | 87.51
Other | | 0.2168 | | | 2.79
Nlocal: 2000 ave 2000 max 2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 1537 ave 1537 max 1537 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 1537
Ave neighs/atom = 0.7685
Neighbor list builds = 69
Dangerous builds = 0
unfix ins
run 150000
Neighbor list info ...
2 neighbor list requests
update every 1 steps, delay 10 steps, check yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 1.49993
ghost atom cutoff = 1.49993
binsize = 0.749963 -> bins = 41 41 94
Memory usage per processor = 9.40639 Mbytes
Step CPU Atoms KinEng
20000 0 2000 6443.7665
21000 0.37979388 2000 6572.3531
22000 0.76149178 2000 6723.8376
23000 1.1449339 2000 6853.1812
24000 1.529017 2000 6976.0209
25000 1.9145579 2000 7096.9955
26000 2.30124 2000 7215.5795
27000 2.6893978 2000 7349.2382
28000 3.0777299 2000 7471.8719
29000 3.4699018 2000 7574.7988
30000 3.8656738 2000 7660.2353
31000 4.2606828 2000 7703.5736
32000 4.6632309 2000 7643.5299
33000 5.0728998 2000 7520.14
34000 5.4878559 2000 7372.2247
35000 5.910604 2000 7192.1639
36000 6.340683 2000 6985.7075
37000 6.8159268 2000 6858.944
38000 7.2553098 2000 6717.0485
39000 7.699847 2000 6541.6874
40000 8.1524599 2000 6382.1661
41000 8.6083429 2000 6235.6681
42000 9.0669999 2000 6103.095
43000 9.5359929 2000 5951.0523
44000 10.012767 2000 5811.0158
45000 10.497891 2000 5627.7273
46000 10.988827 2000 5471.7262
47000 11.48741 2000 5299.1205
48000 11.990619 2000 5164.1642
49000 12.497663 2000 5006.5014
50000 13.020399 2000 4872.2336
51000 13.548012 2000 4694.5332
52000 14.082238 2000 4515.5164
53000 14.622731 2000 4384.7531
54000 15.170292 2000 4215.1354
55000 15.721908 2000 4063.0658
56000 16.285099 2000 3895.7872
57000 16.858606 2000 3693.0537
58000 17.440427 2000 3514.887
59000 18.03239 2000 3268.5625
60000 18.640969 2000 3049.7365
61000 19.245721 2000 2885.6786
62000 19.85574 2000 2652.9108
63000 20.47405 2000 2408.6484
64000 21.10165 2000 2126.9549
65000 21.743939 2000 1879.2829
66000 22.39462 2000 1645.0406
67000 23.059044 2000 1425.8023
68000 23.730976 2000 1160.2206
69000 24.410132 2000 961.78467
70000 25.096468 2000 785.64232
71000 25.778622 2000 626.09642
72000 26.474474 2000 468.40645
73000 27.171065 2000 358.58331
74000 27.860177 2000 299.43443
75000 28.544588 2000 246.40717
76000 29.226358 2000 206.30408
77000 29.902697 2000 176.97739
78000 30.577693 2000 144.25328
79000 31.269697 2000 115.11502
80000 31.977588 2000 97.780887
81000 32.685445 2000 82.593472
82000 33.397946 2000 72.226521
83000 34.114464 2000 62.978026
84000 34.831341 2000 55.350711
85000 35.545558 2000 51.162661
86000 36.266238 2000 46.100957
87000 36.99804 2000 41.19148
88000 37.743379 2000 36.31567
89000 38.499655 2000 32.456379
90000 39.270287 2000 30.16589
91000 40.035401 2000 27.36473
92000 40.799095 2000 25.488138
93000 41.564371 2000 23.674866
94000 42.335499 2000 22.219066
95000 43.114508 2000 20.982603
96000 43.897793 2000 19.840979
97000 44.685675 2000 19.092279
98000 45.483452 2000 18.20277
99000 46.282718 2000 17.512786
100000 47.085373 2000 16.921053
101000 47.888376 2000 16.228234
102000 48.698546 2000 15.958752
103000 49.51312 2000 15.640913
104000 50.330832 2000 14.016542
105000 51.146589 2000 13.484725
106000 51.96128 2000 13.369222
107000 52.781047 2000 12.965898
108000 53.604374 2000 12.268212
109000 54.424389 2000 11.492904
110000 55.253544 2000 11.110936
111000 56.077677 2000 10.05383
112000 56.904333 2000 10.159311
113000 57.729366 2000 10.071694
114000 58.559509 2000 9.820289
115000 59.391732 2000 9.4736012
116000 60.221045 2000 9.5616457
117000 61.052557 2000 8.6478552
118000 61.890195 2000 8.7425719
119000 62.726358 2000 8.4741204
120000 63.565646 2000 7.772287
121000 64.397804 2000 6.9466866
122000 65.231394 2000 6.7645153
123000 66.064887 2000 6.6568629
124000 66.901915 2000 6.7578346
125000 67.741833 2000 6.7845523
126000 68.582414 2000 6.8385357
127000 69.421944 2000 6.8984218
128000 70.262972 2000 7.031649
129000 71.108668 2000 6.5894805
130000 71.954121 2000 6.6452991
131000 72.795366 2000 6.7278453
132000 73.639866 2000 6.679577
133000 74.484945 2000 6.8049542
134000 75.326506 2000 6.9015567
135000 76.171268 2000 7.2052436
136000 77.015739 2000 7.5532841
137000 77.861613 2000 7.2577958
138000 78.706479 2000 7.5218509
139000 79.549466 2000 7.5221639
140000 80.398284 2000 7.6657717
141000 81.240794 2000 7.9761942
142000 82.087164 2000 8.2314258
143000 82.931215 2000 8.3019975
144000 83.777896 2000 8.0179905
145000 84.622383 2000 8.2517491
146000 85.469753 2000 6.9481522
147000 86.315756 2000 6.6131212
148000 87.164711 2000 6.7706881
149000 88.012004 2000 6.8104528
150000 88.861557 2000 6.7339102
151000 89.708494 2000 6.4777998
152000 90.558437 2000 6.3011889
153000 91.40365 2000 6.3101502
154000 92.249997 2000 6.5542552
155000 93.099774 2000 6.7687268
156000 93.945557 2000 6.7974687
157000 94.795065 2000 6.4615869
158000 95.645761 2000 6.5566144
159000 96.495711 2000 6.4371
160000 97.349979 2000 6.4540668
161000 98.19875 2000 6.6987231
162000 99.049934 2000 6.2464506
163000 99.902813 2000 4.7573102
164000 100.75416 2000 4.7782706
165000 101.60479 2000 4.9414064
166000 102.45183 2000 4.970526
167000 103.30172 2000 5.1492473
168000 104.15283 2000 5.3633229
169000 105.00583 2000 4.3464936
170000 105.85919 2000 3.6784016
Loop time of 105.859 on 1 procs for 150000 steps with 2000 atoms
99.9% CPU use with 1 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 46.786 | 46.786 | 46.786 | -nan | 44.20
Neigh | 0.88556 | 0.88556 | 0.88556 | 0.0 | 0.84
Comm | 0.080127 | 0.080127 | 0.080127 | 0.0 | 0.08
Output | 0.0033967 | 0.0033967 | 0.0033967 | 0.0 | 0.00
Modify | 56.418 | 56.418 | 56.418 | 0.0 | 53.29
Other | | 1.687 | | | 1.59
Nlocal: 2000 ave 2000 max 2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 15507 ave 15507 max 15507 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 15507
Ave neighs/atom = 7.7535
Neighbor list builds = 401
Dangerous builds = 0
# remove "plug" - need to redefine cylinder region & union
region cylreg delete
region hopreg delete
region cylreg cylinder z ${xc} ${yc} ${radconelo} ${zcyllo} ${zconelo} side in units box open 1 open 2 #Bottom & top are open
region cylreg cylinder z 25 ${yc} ${radconelo} ${zcyllo} ${zconelo} side in units box open 1 open 2
region cylreg cylinder z 25 25 ${radconelo} ${zcyllo} ${zconelo} side in units box open 1 open 2
region cylreg cylinder z 25 25 2 ${zcyllo} ${zconelo} side in units box open 1 open 2
region cylreg cylinder z 25 25 2 0 ${zconelo} side in units box open 1 open 2
region cylreg cylinder z 25 25 2 0 10 side in units box open 1 open 2
region hopreg union 2 cylreg conereg
unfix hopper3
fix hopper3 all wall/gran/region hertz/history ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
fix hopper3 all wall/gran/region hertz/history 72592.5925925926 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 903.503751814138 ${gamma_t} ${coeffFric} 1 region hopreg
fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 ${coeffFric} 1 region hopreg
fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 0.5 1 region hopreg
run 100000
Memory usage per processor = 9.40667 Mbytes
Step CPU Atoms KinEng
170000 0 2000 3.6784016
171000 0.84847808 2000 4.3936331
172000 1.6901879 2000 5.5750342
173000 2.523411 2000 6.8205762
174000 3.3501492 2000 8.9700613
175000 4.1766891 2000 11.336633
176000 4.9954321 2000 14.225242
177000 5.814229 2000 17.653262
178000 6.630548 2000 21.796078
179000 7.4493361 2000 26.660801
180000 8.2656369 2000 32.428193
181000 9.069953 2000 39.229088
182000 9.8759181 2000 46.242732
183000 10.674972 2000 54.604245
184000 11.47082 2000 63.96931
185000 12.259916 2000 74.132316
186000 13.046788 2000 84.690798
187000 13.832446 2000 95.486707
188000 14.612976 2000 106.68052
189000 15.391779 2000 118.91376
190000 16.160107 2000 131.90023
191000 16.919573 2000 146.30664
192000 17.677855 2000 161.10142
193000 18.4352 2000 174.91947
194000 19.188156 2000 191.47629
195000 19.937255 2000 208.19912
196000 20.687716 2000 224.80045
197000 21.43754 2000 243.29637
198000 22.18579 2000 262.88685
199000 22.932473 2000 282.34797
200000 23.680828 2000 302.78689
201000 24.428559 2000 323.48767
202000 25.167341 2000 345.99414
203000 25.904465 2000 368.54389
204000 26.635727 2000 393.49643
205000 27.366891 2000 417.82722
206000 28.094282 2000 443.67976
207000 28.821021 2000 470.35934
208000 29.545596 2000 499.01368
209000 30.267439 2000 528.99746
210000 30.993287 2000 561.03931
211000 31.713729 2000 594.0482
212000 32.42933 2000 628.20118
213000 33.14608 2000 662.585
214000 33.863882 2000 697.41408
215000 34.580495 2000 733.36799
216000 35.302571 2000 770.46796
217000 36.023821 2000 806.72007
218000 36.74189 2000 844.06965
219000 37.460105 2000 884.31774
220000 38.177705 2000 926.23771
221000 38.886587 2000 970.02095
222000 39.594003 2000 1015.3938
223000 40.29579 2000 1061.1281
224000 41.001112 2000 1107.9962
225000 41.706489 2000 1155.3656
226000 42.417622 1998 1196.6939
227000 43.133238 1996 1240.8434
228000 43.844991 1990 1260.0436
229000 44.545565 1986 1280.0431
230000 45.246651 1974 1285.222
231000 45.934355 1970 1311.8189
232000 46.624066 1960 1300.7922
233000 47.310339 1943 1282.113
234000 47.993433 1932 1261.0871
235000 48.66937 1918 1211.0667
236000 49.332954 1911 1232.6411
237000 49.99742 1898 1209.112
238000 50.664096 1888 1189.4002
239000 51.336205 1875 1151.415
240000 52.010198 1863 1108.0821
241000 52.680788 1856 1090.2279
242000 53.343069 1843 1062.9726
243000 53.996768 1830 1016.0933
244000 54.635882 1825 1023.5568
245000 55.271259 1817 1012.2897
246000 55.902793 1811 1019.8355
247000 56.541437 1802 996.81934
248000 57.182244 1793 971.29353
249000 57.827453 1785 947.98166
250000 58.473311 1771 898.58408
251000 59.1075 1762 851.46342
252000 59.73473 1754 826.46301
253000 60.362094 1747 808.08292
254000 60.989489 1737 778.86892
255000 61.616293 1720 702.90046
256000 62.243096 1709 665.14293
257000 62.866596 1703 628.63036
258000 63.48969 1702 645.42118
259000 64.119075 1696 617.03362
260000 64.752187 1692 607.96874
261000 65.374973 1690 619.83155
262000 65.991365 1688 622.09585
263000 66.608686 1682 612.86762
264000 67.220696 1681 636.53769
265000 67.830797 1678 638.33305
266000 68.439964 1675 635.97419
267000 69.043459 1672 634.91103
268000 69.643043 1669 638.50196
269000 70.250146 1667 646.16045
270000 70.86361 1664 659.62209
Loop time of 70.8636 on 1 procs for 100000 steps with 1664 atoms
99.9% CPU use with 1 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 33.501 | 33.501 | 33.501 | 0.0 | 47.27
Neigh | 0.63279 | 0.63279 | 0.63279 | 0.0 | 0.89
Comm | 0.055495 | 0.055495 | 0.055495 | 0.0 | 0.08
Output | 0.0021648 | 0.0021648 | 0.0021648 | 0.0 | 0.00
Modify | 35.602 | 35.602 | 35.602 | 0.0 | 50.24
Other | | 1.07 | | | 1.51
Nlocal: 1664 ave 1664 max 1664 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 11687 ave 11687 max 11687 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 11687
Ave neighs/atom = 7.02344
Neighbor list builds = 261
Dangerous builds = 0
Total wall time: 0:03:04
c4science · Help