forked from lijiext/lammps
609 lines
26 KiB
Groff
609 lines
26 KiB
Groff
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 4 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 = 2.99539 Mbytes
|
|
Step CPU Atoms KinEng
|
|
0 0 0 -0
|
|
1000 0.53632808 2000 -0
|
|
2000 0.90599012 2000 -0
|
|
3000 1.2640941 2000 -0
|
|
4000 1.6225331 2000 -0
|
|
5000 1.9735272 2000 -0
|
|
6000 2.3156731 2000 -0
|
|
7000 2.6499262 2000 -0
|
|
8000 2.9751072 2000 -0
|
|
9000 3.2918322 2000 -0
|
|
10000 3.597712 2000 -0
|
|
11000 3.7157061 2000 -0
|
|
12000 3.833451 2000 -0
|
|
13000 3.9541111 2000 -0
|
|
14000 4.081727 2000 -0
|
|
15000 4.2142782 2000 -0
|
|
16000 4.3530872 2000 -0
|
|
17000 4.4987361 2000 -0
|
|
18000 4.6507492 2000 -0
|
|
19000 4.807373 2000 -0
|
|
20000 4.9710512 2000 -0
|
|
Loop time of 4.97109 on 4 procs for 20000 steps with 2000 atoms
|
|
|
|
98.5% CPU use with 4 MPI tasks x no OpenMP threads
|
|
|
|
MPI task timing breakdown:
|
|
Section | min time | avg time | max time |%varavg| %total
|
|
---------------------------------------------------------------
|
|
Pair | 0.067799 | 0.17326 | 0.37341 | 28.4 | 3.49
|
|
Neigh | 0.013881 | 0.025808 | 0.045841 | 7.5 | 0.52
|
|
Comm | 0.078163 | 0.1808 | 0.2915 | 21.0 | 3.64
|
|
Output | 0.0011413 | 0.0027029 | 0.0036721 | 1.8 | 0.05
|
|
Modify | 1.0146 | 1.8605 | 3.562 | 73.8 | 37.43
|
|
Other | | 2.728 | | | 54.88
|
|
|
|
Nlocal: 500 ave 505 max 493 min
|
|
Histogram: 1 0 0 0 0 1 0 1 0 1
|
|
Nghost: 159.25 ave 254 max 71 min
|
|
Histogram: 1 0 0 1 0 1 0 0 0 1
|
|
Neighs: 397.5 ave 616 max 214 min
|
|
Histogram: 1 0 1 0 0 0 1 0 0 1
|
|
|
|
Total # of neighbors = 1590
|
|
Ave neighs/atom = 0.795
|
|
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 = 9.39737 Mbytes
|
|
Step CPU Atoms KinEng
|
|
20000 0 2000 6443.7665
|
|
21000 0.11240888 2000 6572.3531
|
|
22000 0.23014092 2000 6723.8376
|
|
23000 0.35371184 2000 6853.1812
|
|
24000 0.4838469 2000 6976.0209
|
|
25000 0.62193394 2000 7096.9955
|
|
26000 0.76781893 2000 7215.5795
|
|
27000 0.92212081 2000 7349.2382
|
|
28000 1.0841098 2000 7471.8719
|
|
29000 1.2593179 2000 7574.7988
|
|
30000 1.4459748 2000 7660.2353
|
|
31000 1.5759299 2000 7703.5736
|
|
32000 1.7189329 2000 7643.5299
|
|
33000 1.876133 2000 7520.14
|
|
34000 2.0453629 2000 7372.2247
|
|
35000 2.2281299 2000 7192.1638
|
|
36000 2.4208269 2000 6985.7056
|
|
37000 2.6258228 2000 6858.9422
|
|
38000 2.839473 2000 6717.0655
|
|
39000 3.065336 2000 6541.5809
|
|
40000 3.3090389 2000 6381.8513
|
|
41000 3.4969938 2000 6236.4297
|
|
42000 3.6888108 2000 6104.2528
|
|
43000 3.8874888 2000 5951.0314
|
|
44000 4.0956569 2000 5819.0972
|
|
45000 4.312974 2000 5620.6457
|
|
46000 4.5343778 2000 5479.332
|
|
47000 4.757262 2000 5295.328
|
|
48000 4.9850328 2000 5179.9559
|
|
49000 5.2210319 2000 5022.5562
|
|
50000 5.4699879 2000 4899.1332
|
|
51000 5.6774018 2000 4699.4456
|
|
52000 5.8900218 2000 4522.5719
|
|
53000 6.110677 2000 4402.8664
|
|
54000 6.3361218 2000 4256.1664
|
|
55000 6.5778289 2000 4093.6265
|
|
56000 6.8319149 2000 3933.0179
|
|
57000 7.0925779 2000 3738.4628
|
|
58000 7.3578169 2000 3535.7866
|
|
59000 7.6344049 2000 3298.4079
|
|
60000 7.9258108 2000 3058.9356
|
|
61000 8.1758959 2000 2888.0074
|
|
62000 8.4278228 2000 2652.4613
|
|
63000 8.6815088 2000 2435.0991
|
|
64000 8.9371588 2000 2147.9441
|
|
65000 9.208025 2000 1898.0657
|
|
66000 9.4795358 2000 1650.5794
|
|
67000 9.7519388 2000 1425.7284
|
|
68000 10.025867 2000 1193.3786
|
|
69000 10.313816 2000 940.55767
|
|
70000 10.610488 2000 761.5312
|
|
71000 10.879718 2000 599.1989
|
|
72000 11.154029 2000 453.25929
|
|
73000 11.424376 2000 345.73222
|
|
74000 11.697359 2000 273.72167
|
|
75000 11.966099 2000 222.44251
|
|
76000 12.230213 2000 190.79993
|
|
77000 12.481982 2000 157.71153
|
|
78000 12.73433 2000 131.99208
|
|
79000 12.986017 2000 111.10589
|
|
80000 13.243904 2000 96.736337
|
|
81000 13.500538 2000 81.24169
|
|
82000 13.765755 2000 66.640863
|
|
83000 14.032985 2000 53.07725
|
|
84000 14.308284 2000 45.942738
|
|
85000 14.586721 2000 38.811918
|
|
86000 14.861759 2000 34.59113
|
|
87000 15.135665 2000 31.04487
|
|
88000 15.417487 2000 27.659144
|
|
89000 15.698281 2000 24.596119
|
|
90000 15.97969 2000 22.004865
|
|
91000 16.266118 2000 20.541665
|
|
92000 16.557007 2000 18.938077
|
|
93000 16.846745 2000 17.293956
|
|
94000 17.133408 2000 16.443596
|
|
95000 17.42023 2000 15.518083
|
|
96000 17.709025 2000 14.264343
|
|
97000 18.001337 2000 13.410217
|
|
98000 18.292414 2000 13.036621
|
|
99000 18.583887 2000 12.523214
|
|
100000 18.880312 2000 12.371509
|
|
101000 19.176964 2000 11.828077
|
|
102000 19.474371 2000 11.510333
|
|
103000 19.770957 2000 11.289304
|
|
104000 20.070744 2000 10.370661
|
|
105000 20.372617 2000 10.217921
|
|
106000 20.673949 2000 9.3275222
|
|
107000 20.9765 2000 8.9156372
|
|
108000 21.276062 2000 8.5850821
|
|
109000 21.585305 2000 8.5326934
|
|
110000 21.89079 2000 8.0579504
|
|
111000 22.194207 2000 8.1084595
|
|
112000 22.501593 2000 7.9190174
|
|
113000 22.81251 2000 8.0127499
|
|
114000 23.118514 2000 8.1791911
|
|
115000 23.432862 2000 8.3333032
|
|
116000 23.735549 2000 8.4833817
|
|
117000 24.038329 2000 8.315498
|
|
118000 24.343247 2000 7.9460007
|
|
119000 24.643288 2000 7.5922134
|
|
120000 24.94731 2000 7.4089143
|
|
121000 25.253605 2000 7.5790659
|
|
122000 25.56672 2000 7.3778204
|
|
123000 25.870958 2000 7.1384456
|
|
124000 26.180729 2000 6.9151887
|
|
125000 26.493089 2000 6.4671685
|
|
126000 26.806734 2000 5.6773128
|
|
127000 27.10969 2000 5.5603057
|
|
128000 27.410973 2000 5.6376136
|
|
129000 27.712398 2000 5.5578044
|
|
130000 28.015943 2000 5.4632646
|
|
131000 28.319002 2000 4.9669466
|
|
132000 28.620558 2000 5.0191026
|
|
133000 28.923233 2000 4.7146653
|
|
134000 29.235178 2000 4.4835803
|
|
135000 29.542816 2000 4.5469703
|
|
136000 29.8518 2000 4.3349926
|
|
137000 30.159096 2000 4.423031
|
|
138000 30.464283 2000 4.3680646
|
|
139000 30.769279 2000 4.2461787
|
|
140000 31.074457 2000 4.4140001
|
|
141000 31.380334 2000 4.3991236
|
|
142000 31.683855 2000 4.572989
|
|
143000 31.987308 2000 4.7601702
|
|
144000 32.28998 2000 4.7790587
|
|
145000 32.594971 2000 4.8127728
|
|
146000 32.89855 2000 4.8750003
|
|
147000 33.205142 2000 4.9830109
|
|
148000 33.509096 2000 4.9960037
|
|
149000 33.812951 2000 5.2151503
|
|
150000 34.117585 2000 5.2745187
|
|
151000 34.420995 2000 4.8959892
|
|
152000 34.725788 2000 4.7600627
|
|
153000 35.032001 2000 4.6944719
|
|
154000 35.337093 2000 4.7647384
|
|
155000 35.645299 2000 4.312228
|
|
156000 35.953225 2000 3.8513036
|
|
157000 36.258107 2000 3.8798947
|
|
158000 36.570122 2000 3.7116749
|
|
159000 36.880424 2000 3.7246469
|
|
160000 37.187331 2000 3.8165318
|
|
161000 37.491939 2000 3.8954595
|
|
162000 37.806365 2000 4.0109691
|
|
163000 38.122006 2000 3.3864369
|
|
164000 38.437246 2000 3.4533589
|
|
165000 38.753073 2000 3.4967205
|
|
166000 39.068713 2000 3.5758702
|
|
167000 39.376388 2000 2.8913997
|
|
168000 39.685628 2000 2.507523
|
|
169000 39.99294 2000 2.4910068
|
|
170000 40.302393 2000 2.4992886
|
|
Loop time of 40.3024 on 4 procs for 150000 steps with 2000 atoms
|
|
|
|
99.2% CPU use with 4 MPI tasks x no OpenMP threads
|
|
|
|
MPI task timing breakdown:
|
|
Section | min time | avg time | max time |%varavg| %total
|
|
---------------------------------------------------------------
|
|
Pair | 7.9352 | 13.451 | 15.947 | 88.7 | 33.37
|
|
Neigh | 0.15394 | 0.23292 | 0.28243 | 10.0 | 0.58
|
|
Comm | 2.1471 | 3.534 | 4.4671 | 47.3 | 8.77
|
|
Output | 0.0070386 | 0.011774 | 0.021483 | 5.4 | 0.03
|
|
Modify | 10.816 | 14.404 | 16.047 | 55.2 | 35.74
|
|
Other | | 8.669 | | | 21.51
|
|
|
|
Nlocal: 500 ave 542 max 430 min
|
|
Histogram: 1 0 0 0 0 0 1 0 1 1
|
|
Nghost: 449.5 ave 679 max 208 min
|
|
Histogram: 1 0 0 0 1 0 1 0 0 1
|
|
Neighs: 4506.75 ave 5611 max 3508 min
|
|
Histogram: 1 0 1 0 0 0 1 0 0 1
|
|
|
|
Total # of neighbors = 18027
|
|
Ave neighs/atom = 9.0135
|
|
Neighbor list builds = 386
|
|
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 = 9.41929 Mbytes
|
|
Step CPU Atoms KinEng
|
|
170000 0 2000 2.4992886
|
|
171000 0.30864286 2000 3.6052039
|
|
172000 0.62273479 2000 4.8584577
|
|
173000 0.94411087 2000 6.5620833
|
|
174000 1.2588799 2000 8.8636423
|
|
175000 1.574302 2000 11.743197
|
|
176000 1.888201 2000 15.60405
|
|
177000 2.1948938 2000 20.29426
|
|
178000 2.508261 2000 25.069266
|
|
179000 2.8257489 2000 31.340924
|
|
180000 3.1444538 2000 38.454779
|
|
181000 3.4541628 2000 46.488676
|
|
182000 3.7632799 2000 55.279578
|
|
183000 4.0711808 2000 65.192327
|
|
184000 4.386853 2000 75.466011
|
|
185000 4.7000408 2000 86.06934
|
|
186000 5.00436 2000 97.157035
|
|
187000 5.3041189 2000 108.92242
|
|
188000 5.601872 2000 120.88599
|
|
189000 5.9027078 2000 134.09884
|
|
190000 6.2037618 2000 148.60143
|
|
191000 6.4879329 2000 163.96898
|
|
192000 6.7703898 2000 180.32931
|
|
193000 7.0603459 2000 198.83575
|
|
194000 7.3395619 2000 217.46631
|
|
195000 7.6245389 2000 235.34916
|
|
196000 7.911685 2000 253.61893
|
|
197000 8.1976559 2000 271.3908
|
|
198000 8.483418 2000 289.60064
|
|
199000 8.7664149 2000 309.44306
|
|
200000 9.0593698 2000 331.9367
|
|
201000 9.3373818 2000 354.86646
|
|
202000 9.612149 2000 380.56766
|
|
203000 9.8876739 2000 406.97399
|
|
204000 10.152671 2000 435.69917
|
|
205000 10.415859 2000 465.1954
|
|
206000 10.67967 2000 494.6045
|
|
207000 10.941435 2000 522.71704
|
|
208000 11.205367 2000 550.56072
|
|
209000 11.471415 2000 580.10547
|
|
210000 11.738137 2000 610.36222
|
|
211000 12.006432 2000 641.99128
|
|
212000 12.270102 2000 676.0736
|
|
213000 12.531937 2000 711.70118
|
|
214000 12.797442 2000 747.84561
|
|
215000 13.062646 2000 785.59575
|
|
216000 13.33019 2000 826.36549
|
|
217000 13.598467 2000 868.35085
|
|
218000 13.863022 2000 911.07041
|
|
219000 14.127777 2000 953.70251
|
|
220000 14.391496 2000 997.5717
|
|
221000 14.655347 2000 1043.5565
|
|
222000 14.923357 2000 1090.7944
|
|
223000 15.193349 2000 1140.1324
|
|
224000 15.462326 2000 1190.6956
|
|
225000 15.729748 1999 1238.1536
|
|
226000 15.996867 1998 1286.8076
|
|
227000 16.261762 1995 1326.9895
|
|
228000 16.527382 1989 1349.5997
|
|
229000 16.788356 1984 1370.593
|
|
230000 17.05426 1968 1344.3763
|
|
231000 17.320126 1962 1363.7958
|
|
232000 17.58387 1949 1340.1482
|
|
233000 17.850221 1940 1348.409
|
|
234000 18.116595 1929 1335.9703
|
|
235000 18.383276 1918 1328.201
|
|
236000 18.650066 1905 1309.6469
|
|
237000 18.916963 1896 1292.9758
|
|
238000 19.185209 1884 1266.3598
|
|
239000 19.453402 1872 1221.0069
|
|
240000 19.722178 1855 1166.1488
|
|
241000 19.98987 1842 1126.9482
|
|
242000 20.257783 1828 1107.128
|
|
243000 20.523743 1815 1060.6573
|
|
244000 20.793404 1805 1026.0259
|
|
245000 21.061462 1797 1009.4924
|
|
246000 21.325574 1790 995.26136
|
|
247000 21.587046 1782 976.04886
|
|
248000 21.840234 1778 989.11589
|
|
249000 22.09455 1762 903.62508
|
|
250000 22.356228 1748 852.03257
|
|
251000 22.602243 1738 807.41049
|
|
252000 22.852106 1722 738.82529
|
|
253000 23.097209 1712 706.05657
|
|
254000 23.341263 1696 626.53135
|
|
255000 23.58614 1692 613.89548
|
|
256000 23.83122 1686 598.9367
|
|
257000 24.076937 1683 589.27487
|
|
258000 24.321166 1681 591.42793
|
|
259000 24.566143 1678 595.25383
|
|
260000 24.820743 1677 617.50379
|
|
261000 25.057835 1675 623.39319
|
|
262000 25.294068 1673 627.08829
|
|
263000 25.526724 1669 623.52963
|
|
264000 25.766729 1667 626.44957
|
|
265000 26.005453 1664 631.58936
|
|
266000 26.244549 1660 605.22452
|
|
267000 26.478879 1657 611.76935
|
|
268000 26.71252 1655 611.73538
|
|
269000 26.951368 1652 624.58227
|
|
270000 27.186447 1648 625.97446
|
|
Loop time of 27.1865 on 4 procs for 100000 steps with 1648 atoms
|
|
|
|
99.2% CPU use with 4 MPI tasks x no OpenMP threads
|
|
|
|
MPI task timing breakdown:
|
|
Section | min time | avg time | max time |%varavg| %total
|
|
---------------------------------------------------------------
|
|
Pair | 4.6257 | 9.631 | 13.049 | 100.0 | 35.43
|
|
Neigh | 0.1522 | 0.17549 | 0.19588 | 4.3 | 0.65
|
|
Comm | 1.5797 | 2.7289 | 3.602 | 48.7 | 10.04
|
|
Output | 0.0014181 | 0.007208 | 0.016675 | 6.8 | 0.03
|
|
Modify | 7.7129 | 9.0949 | 10.256 | 31.9 | 33.45
|
|
Other | | 5.549 | | | 20.41
|
|
|
|
Nlocal: 412 ave 436 max 388 min
|
|
Histogram: 1 1 0 0 0 0 0 0 1 1
|
|
Nghost: 391 ave 629 max 158 min
|
|
Histogram: 1 0 0 1 0 1 0 0 0 1
|
|
Neighs: 3406 ave 4479 max 2040 min
|
|
Histogram: 1 0 0 0 1 0 0 1 0 1
|
|
|
|
Total # of neighbors = 13624
|
|
Ave neighs/atom = 8.26699
|
|
Neighbor list builds = 260
|
|
Dangerous builds = 0
|
|
Total wall time: 0:01:12
|