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Fixing interation cutoff in gran wall/region, rerunning relevant examples

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This commit is contained in:
jtclemm
2023-04-06 13:58:06 -06:00
parent ad72e9f6ea
commit dd5763cd3a
8 changed files with 229 additions and 247 deletions
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5
examples/granular/in.pour.heat
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@ -75,10 +75,5 @@ timestep 0.001
#dump 1 all custom 1000 ${name}.dump id type radius mass x y z temperature heatflow #dump 1 all custom 1000 ${name}.dump id type radius mass x y z temperature heatflow
#For removal later
compute 1 all property/atom radius
variable zmax atom z+c_1>0.5*${drum_height}
group delgroup dynamic all var zmax every 10000
run 100000 run 100000

132
examples/granular/log.15Sep22.pour.drum.g++.1 → examples/granular/log.28Mar23.pour.drum.g++.1
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@ -1,4 +1,4 @@
LAMMPS (15 Sep 2022) LAMMPS (28 Mar 2023 - Development)
# pour two types of particles (cohesive and non-cohesive) into cylinder # pour two types of particles (cohesive and non-cohesive) into cylinder
# 'turn' cylinder by changing direction of gravity, then rotate it. # 'turn' cylinder by changing direction of gravity, then rotate it.
# This simulates a rotating drum powder characterization experiment. # This simulates a rotating drum powder characterization experiment.
@ -129,16 +129,16 @@ Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ... Neighbor list info ...
update: every = 1 steps, delay = 0 steps, check = yes update: every = 1 steps, delay = 0 steps, check = yes
max neighbors/atom: 2000, page size: 100000 max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 1.2 master list distance cutoff = 1.2072629
ghost atom cutoff = 1.2 ghost atom cutoff = 1.2072629
binsize = 0.6, bins = 50 50 84 binsize = 0.60363143, bins = 50 50 83
1 neighbor lists, perpetual/occasional/extra = 1 0 0 1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair granular, perpetual (1) pair granular, perpetual
attributes: half, newton on, size, history attributes: half, newton on, size, history
pair build: half/size/bin/newton pair build: half/size/bin/newton
stencil: half/bin/3d stencil: half/bin/3d
bin: standard bin: standard
Per MPI rank memory allocation (min/avg/max) = 16.08 | 16.08 | 16.08 Mbytes Per MPI rank memory allocation (min/avg/max) = 15.95 | 15.95 | 15.95 Mbytes
Step Atoms KinEng v_theta Step Atoms KinEng v_theta
0 0 -0 0 0 0 -0 0
100 4000 -0 0 100 4000 -0 0
@ -161,32 +161,32 @@ Per MPI rank memory allocation (min/avg/max) = 16.08 | 16.08 | 16.08 Mbytes
1800 4000 -0 0 1800 4000 -0 0
1900 4000 -0 0 1900 4000 -0 0
2000 4000 -0 0 2000 4000 -0 0
Loop time of 2.81549 on 1 procs for 2000 steps with 4000 atoms Loop time of 2.86367 on 1 procs for 2000 steps with 4000 atoms
Performance: 61374.657 tau/day, 710.355 timesteps/s, 2.841 Matom-step/s Performance: 60342.153 tau/day, 698.405 timesteps/s, 2.794 Matom-step/s
98.4% CPU use with 1 MPI tasks x no OpenMP threads 99.6% CPU use with 1 MPI tasks x no OpenMP threads
MPI task timing breakdown: MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total Section | min time | avg time | max time |%varavg| %total
--------------------------------------------------------------- ---------------------------------------------------------------
Pair | 0.35362 | 0.35362 | 0.35362 | 0.0 | 12.56 Pair | 0.36474 | 0.36474 | 0.36474 | 0.0 | 12.74
Neigh | 1.0852 | 1.0852 | 1.0852 | 0.0 | 38.54 Neigh | 1.0694 | 1.0694 | 1.0694 | 0.0 | 37.35
Comm | 0.041891 | 0.041891 | 0.041891 | 0.0 | 1.49 Comm | 0.043549 | 0.043549 | 0.043549 | 0.0 | 1.52
Output | 0.00059151 | 0.00059151 | 0.00059151 | 0.0 | 0.02 Output | 0.00054587 | 0.00054587 | 0.00054587 | 0.0 | 0.02
Modify | 1.2814 | 1.2814 | 1.2814 | 0.0 | 45.51 Modify | 1.3281 | 1.3281 | 1.3281 | 0.0 | 46.38
Other | | 0.0528 | | | 1.88 Other | | 0.05731 | | | 2.00
Nlocal: 4000 ave 4000 max 4000 min Nlocal: 4000 ave 4000 max 4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0 Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 179 ave 179 max 179 min Nghost: 192 ave 192 max 192 min
Histogram: 1 0 0 0 0 0 0 0 0 0 Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 7019 ave 7019 max 7019 min Neighs: 6959 ave 6959 max 6959 min
Histogram: 1 0 0 0 0 0 0 0 0 0 Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 7019 Total # of neighbors = 6959
Ave neighs/atom = 1.75475 Ave neighs/atom = 1.73975
Neighbor list builds = 1000 Neighbor list builds = 1042
Dangerous builds = 0 Dangerous builds = 82
#Remove any particles that are above z > 0.5*drum_height #Remove any particles that are above z > 0.5*drum_height
delete_atoms group delgroup delete_atoms group delgroup
@ -210,63 +210,63 @@ fix grav all gravity 10 vector 0 -1 0
variable theta equal 2*PI*elapsed/20000.0 variable theta equal 2*PI*elapsed/20000.0
run 3000 run 3000
Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
Per MPI rank memory allocation (min/avg/max) = 22.42 | 22.42 | 22.42 Mbytes Per MPI rank memory allocation (min/avg/max) = 22.3 | 22.3 | 22.3 Mbytes
Step Atoms KinEng v_theta Step Atoms KinEng v_theta
2000 4000 59.969827 0 2000 4000 59.748184 0
2100 4000 47.251389 0.031415927 2100 4000 47.337202 0.031415927
2200 4000 33.726755 0.062831853 2200 4000 33.303567 0.062831853
2300 4000 24.212479 0.09424778 2300 4000 24.246806 0.09424778
2400 4000 17.366268 0.12566371 2400 4000 17.165844 0.12566371
2500 4000 18.502318 0.15707963 2500 4000 18.415922 0.15707963
2600 4000 17.44981 0.18849556 2600 4000 17.3084 0.18849556
2700 4000 16.068315 0.21991149 2700 4000 15.985202 0.21991149
2800 4000 14.252644 0.25132741 2800 4000 14.084599 0.25132741
2900 4000 11.544019 0.28274334 2900 4000 11.526622 0.28274334
3000 4000 9.0353662 0.31415927 3000 4000 8.9364793 0.31415927
3100 4000 6.9955912 0.34557519 3100 4000 6.844209 0.34557519
3200 4000 5.955137 0.37699112 3200 4000 5.8243926 0.37699112
3300 4000 5.8947849 0.40840704 3300 4000 5.5616671 0.40840704
3400 4000 6.0544729 0.43982297 3400 4000 5.7219459 0.43982297
3500 4000 6.5326359 0.4712389 3500 4000 6.2482952 0.4712389
3600 4000 6.6047764 0.50265482 3600 4000 6.396804 0.50265482
3700 4000 6.7073614 0.53407075 3700 4000 6.6017236 0.53407075
3800 4000 6.7367804 0.56548668 3800 4000 6.684913 0.56548668
3900 4000 6.6178006 0.5969026 3900 4000 6.5988588 0.5969026
4000 4000 6.3834858 0.62831853 4000 4000 6.4839456 0.62831853
4100 4000 5.8660652 0.65973446 4100 4000 6.104233 0.65973446
4200 4000 5.308513 0.69115038 4200 4000 5.6021757 0.69115038
4300 4000 4.7270842 0.72256631 4300 4000 4.9670639 0.72256631
4400 4000 4.1920733 0.75398224 4400 4000 4.3298233 0.75398224
4500 4000 3.7068814 0.78539816 4500 4000 3.8833884 0.78539816
4600 4000 3.3259615 0.81681409 4600 4000 3.4626401 0.81681409
4700 4000 2.9339231 0.84823002 4700 4000 3.0367615 0.84823002
4800 4000 2.670752 0.87964594 4800 4000 2.762543 0.87964594
4900 4000 2.4509115 0.91106187 4900 4000 2.5627778 0.91106187
5000 4000 2.2609335 0.9424778 5000 4000 2.4007014 0.9424778
Loop time of 9.82178 on 1 procs for 3000 steps with 4000 atoms Loop time of 9.68472 on 1 procs for 3000 steps with 4000 atoms
Performance: 26390.330 tau/day, 305.444 timesteps/s, 1.222 Matom-step/s Performance: 26763.820 tau/day, 309.766 timesteps/s, 1.239 Matom-step/s
99.4% CPU use with 1 MPI tasks x no OpenMP threads 99.6% CPU use with 1 MPI tasks x no OpenMP threads
MPI task timing breakdown: MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total Section | min time | avg time | max time |%varavg| %total
--------------------------------------------------------------- ---------------------------------------------------------------
Pair | 3.2932 | 3.2932 | 3.2932 | 0.0 | 33.53 Pair | 3.2753 | 3.2753 | 3.2753 | 0.0 | 33.82
Neigh | 2.2872 | 2.2872 | 2.2872 | 0.0 | 23.29 Neigh | 2.2272 | 2.2272 | 2.2272 | 0.0 | 23.00
Comm | 0.067117 | 0.067117 | 0.067117 | 0.0 | 0.68 Comm | 0.068198 | 0.068198 | 0.068198 | 0.0 | 0.70
Output | 0.00093425 | 0.00093425 | 0.00093425 | 0.0 | 0.01 Output | 0.0008788 | 0.0008788 | 0.0008788 | 0.0 | 0.01
Modify | 4.0986 | 4.0986 | 4.0986 | 0.0 | 41.73 Modify | 4.0327 | 4.0327 | 4.0327 | 0.0 | 41.64
Other | | 0.07476 | | | 0.76 Other | | 0.08047 | | | 0.83
Nlocal: 4000 ave 4000 max 4000 min Nlocal: 4000 ave 4000 max 4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0 Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 363 ave 363 max 363 min Nghost: 364 ave 364 max 364 min
Histogram: 1 0 0 0 0 0 0 0 0 0 Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 13089 ave 13089 max 13089 min Neighs: 12973 ave 12973 max 12973 min
Histogram: 1 0 0 0 0 0 0 0 0 0 Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 13089 Total # of neighbors = 12973
Ave neighs/atom = 3.27225 Ave neighs/atom = 3.24325
Neighbor list builds = 1247 Neighbor list builds = 1274
Dangerous builds = 130 Dangerous builds = 130
Total wall time: 0:00:12 Total wall time: 0:00:12

140
examples/granular/log.15Sep22.pour.drum.g++.4 → examples/granular/log.28Mar23.pour.drum.g++.4
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@ -1,4 +1,4 @@
LAMMPS (15 Sep 2022) LAMMPS (28 Mar 2023 - Development)
# pour two types of particles (cohesive and non-cohesive) into cylinder # pour two types of particles (cohesive and non-cohesive) into cylinder
# 'turn' cylinder by changing direction of gravity, then rotate it. # 'turn' cylinder by changing direction of gravity, then rotate it.
# This simulates a rotating drum powder characterization experiment. # This simulates a rotating drum powder characterization experiment.
@ -129,16 +129,16 @@ Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ... Neighbor list info ...
update: every = 1 steps, delay = 0 steps, check = yes update: every = 1 steps, delay = 0 steps, check = yes
max neighbors/atom: 2000, page size: 100000 max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 1.2 master list distance cutoff = 1.2072629
ghost atom cutoff = 1.2 ghost atom cutoff = 1.2072629
binsize = 0.6, bins = 50 50 84 binsize = 0.60363143, bins = 50 50 83
1 neighbor lists, perpetual/occasional/extra = 1 0 0 1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair granular, perpetual (1) pair granular, perpetual
attributes: half, newton on, size, history attributes: half, newton on, size, history
pair build: half/size/bin/newton pair build: half/size/bin/newton
stencil: half/bin/3d stencil: half/bin/3d
bin: standard bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.3 | 15.3 | 15.3 Mbytes Per MPI rank memory allocation (min/avg/max) = 15.26 | 15.26 | 15.26 Mbytes
Step Atoms KinEng v_theta Step Atoms KinEng v_theta
0 0 -0 0 0 0 -0 0
100 4000 -0 0 100 4000 -0 0
@ -161,30 +161,30 @@ Per MPI rank memory allocation (min/avg/max) = 15.3 | 15.3 | 15.3 Mbytes
1800 4000 -0 0 1800 4000 -0 0
1900 4000 -0 0 1900 4000 -0 0
2000 4000 -0 0 2000 4000 -0 0
Loop time of 0.744926 on 4 procs for 2000 steps with 4000 atoms Loop time of 0.748557 on 4 procs for 2000 steps with 4000 atoms
Performance: 231969.322 tau/day, 2684.830 timesteps/s, 10.739 Matom-step/s Performance: 230844.044 tau/day, 2671.806 timesteps/s, 10.687 Matom-step/s
98.1% CPU use with 4 MPI tasks x no OpenMP threads 97.9% CPU use with 4 MPI tasks x no OpenMP threads
MPI task timing breakdown: MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total Section | min time | avg time | max time |%varavg| %total
--------------------------------------------------------------- ---------------------------------------------------------------
Pair | 0.064917 | 0.069813 | 0.074844 | 1.7 | 9.37 Pair | 0.06941 | 0.071981 | 0.074417 | 0.7 | 9.62
Neigh | 0.15075 | 0.15915 | 0.1692 | 1.9 | 21.36 Neigh | 0.16177 | 0.16555 | 0.17093 | 0.8 | 22.12
Comm | 0.11223 | 0.11821 | 0.12247 | 1.1 | 15.87 Comm | 0.090638 | 0.10803 | 0.12219 | 4.1 | 14.43
Output | 0.00030739 | 0.00036898 | 0.00046777 | 0.0 | 0.05 Output | 0.00028818 | 0.00034597 | 0.0004604 | 0.0 | 0.05
Modify | 0.36068 | 0.36657 | 0.37031 | 0.7 | 49.21 Modify | 0.36474 | 0.3754 | 0.38959 | 1.7 | 50.15
Other | | 0.03082 | | | 4.14 Other | | 0.02725 | | | 3.64
Nlocal: 1000 ave 1010 max 990 min Nlocal: 1000 ave 1011 max 989 min
Histogram: 2 0 0 0 0 0 0 0 0 2 Histogram: 2 0 0 0 0 0 0 0 0 2
Nghost: 285 ave 287 max 283 min Nghost: 279.5 ave 288 max 265 min
Histogram: 1 0 1 0 0 0 0 1 0 1 Histogram: 1 0 0 0 0 1 0 0 0 2
Neighs: 1714.25 ave 1764 max 1651 min Neighs: 1771 ave 1849 max 1683 min
Histogram: 1 0 1 0 0 0 0 0 0 2 Histogram: 1 1 0 0 0 0 0 0 0 2
Total # of neighbors = 6857 Total # of neighbors = 7084
Ave neighs/atom = 1.71425 Ave neighs/atom = 1.771
Neighbor list builds = 1000 Neighbor list builds = 1000
Dangerous builds = 0 Dangerous builds = 0
@ -210,63 +210,63 @@ fix grav all gravity 10 vector 0 -1 0
variable theta equal 2*PI*elapsed/20000.0 variable theta equal 2*PI*elapsed/20000.0
run 3000 run 3000
Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
Per MPI rank memory allocation (min/avg/max) = 21.6 | 21.6 | 21.6 Mbytes Per MPI rank memory allocation (min/avg/max) = 21.56 | 21.56 | 21.56 Mbytes
Step Atoms KinEng v_theta Step Atoms KinEng v_theta
2000 4000 60.10546 0 2000 4000 59.519618 0
2100 4000 47.274123 0.031415927 2100 4000 46.959463 0.031415927
2200 4000 33.475582 0.062831853 2200 4000 33.575692 0.062831853
2300 4000 24.083669 0.09424778 2300 4000 24.142787 0.09424778
2400 4000 17.36351 0.12566371 2400 4000 17.337935 0.12566371
2500 4000 18.576501 0.15707963 2500 4000 18.547345 0.15707963
2600 4000 17.39 0.18849556 2600 4000 17.504214 0.18849556
2700 4000 15.789254 0.21991149 2700 4000 16.24609 0.21991149
2800 4000 14.08156 0.25132741 2800 4000 14.074959 0.25132741
2900 4000 11.636681 0.28274334 2900 4000 11.85315 0.28274334
3000 4000 8.9897685 0.31415927 3000 4000 9.1440638 0.31415927
3100 4000 7.0703519 0.34557519 3100 4000 7.0279268 0.34557519
3200 4000 6.0741809 0.37699112 3200 4000 5.9258872 0.37699112
3300 4000 5.8286097 0.40840704 3300 4000 5.8615694 0.40840704
3400 4000 6.059001 0.43982297 3400 4000 5.9779406 0.43982297
3500 4000 6.4310861 0.4712389 3500 4000 6.4357798 0.4712389
3600 4000 6.3957528 0.50265482 3600 4000 6.4960487 0.50265482
3700 4000 6.4858292 0.53407075 3700 4000 6.586721 0.53407075
3800 4000 6.4685962 0.56548668 3800 4000 6.5979634 0.56548668
3900 4000 6.3469676 0.5969026 3900 4000 6.5728243 0.5969026
4000 4000 6.2808022 0.62831853 4000 4000 6.3664722 0.62831853
4100 4000 5.957048 0.65973446 4100 4000 6.025512 0.65973446
4200 4000 5.5378951 0.69115038 4200 4000 5.5922152 0.69115038
4300 4000 4.8523264 0.72256631 4300 4000 5.0429386 0.72256631
4400 4000 4.2485239 0.75398224 4400 4000 4.3669836 0.75398224
4500 4000 3.7587486 0.78539816 4500 4000 3.8125957 0.78539816
4600 4000 3.327008 0.81681409 4600 4000 3.3457033 0.81681409
4700 4000 2.9421013 0.84823002 4700 4000 2.9405372 0.84823002
4800 4000 2.75247 0.87964594 4800 4000 2.6544181 0.87964594
4900 4000 2.5306332 0.91106187 4900 4000 2.4465164 0.91106187
5000 4000 2.352504 0.9424778 5000 4000 2.2332401 0.9424778
Loop time of 2.48704 on 4 procs for 3000 steps with 4000 atoms Loop time of 2.5078 on 4 procs for 3000 steps with 4000 atoms
Performance: 104220.238 tau/day, 1206.253 timesteps/s, 4.825 Matom-step/s Performance: 103357.584 tau/day, 1196.268 timesteps/s, 4.785 Matom-step/s
98.6% CPU use with 4 MPI tasks x no OpenMP threads 98.5% CPU use with 4 MPI tasks x no OpenMP threads
MPI task timing breakdown: MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total Section | min time | avg time | max time |%varavg| %total
--------------------------------------------------------------- ---------------------------------------------------------------
Pair | 0.51605 | 0.70407 | 0.86299 | 14.7 | 28.31 Pair | 0.54095 | 0.71709 | 0.87542 | 14.0 | 28.59
Neigh | 0.3522 | 0.42808 | 0.50041 | 8.0 | 17.21 Neigh | 0.36061 | 0.42976 | 0.50378 | 7.7 | 17.14
Comm | 0.17318 | 0.42324 | 0.7046 | 29.0 | 17.02 Comm | 0.17653 | 0.42898 | 0.69006 | 27.8 | 17.11
Output | 0.00079725 | 0.0013956 | 0.002092 | 1.3 | 0.06 Output | 0.00074969 | 0.0013183 | 0.0019347 | 1.2 | 0.05
Modify | 0.68507 | 0.79676 | 0.90954 | 8.9 | 32.04 Modify | 0.70535 | 0.80409 | 0.91217 | 8.2 | 32.06
Other | | 0.1335 | | | 5.37 Other | | 0.1266 | | | 5.05
Nlocal: 1000 ave 1330 max 670 min Nlocal: 1000 ave 1311 max 689 min
Histogram: 2 0 0 0 0 0 0 0 0 2 Histogram: 2 0 0 0 0 0 0 0 0 2
Nghost: 525.5 ave 781 max 417 min Nghost: 555.25 ave 838 max 429 min
Histogram: 2 1 0 0 0 0 0 0 0 1 Histogram: 1 2 0 0 0 0 0 0 0 1
Neighs: 3243.75 ave 4460 max 2012 min Neighs: 3277.75 ave 4525 max 2052 min
Histogram: 1 1 0 0 0 0 0 0 1 1 Histogram: 1 1 0 0 0 0 0 0 1 1
Total # of neighbors = 12975 Total # of neighbors = 13111
Ave neighs/atom = 3.24375 Ave neighs/atom = 3.27775
Neighbor list builds = 1299 Neighbor list builds = 1254
Dangerous builds = 129 Dangerous builds = 130
Total wall time: 0:00:03 Total wall time: 0:00:03

52
examples/granular/log.15Sep22.pour.flatwall.g++.1 → examples/granular/log.28Mar23.pour.flatwall.g++.1
View File

@ -1,4 +1,4 @@
LAMMPS (15 Sep 2022) LAMMPS (28 Mar 2023 - Development)
# pour two types of particles (cohesive and non-cohesive) on flat wall # pour two types of particles (cohesive and non-cohesive) on flat wall
variable name string pour_two_types variable name string pour_two_types
@ -97,35 +97,35 @@ Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ... Neighbor list info ...
update: every = 1 steps, delay = 0 steps, check = yes update: every = 1 steps, delay = 0 steps, check = yes
max neighbors/atom: 2000, page size: 100000 max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 1.15 master list distance cutoff = 1.2035132
ghost atom cutoff = 1.15 ghost atom cutoff = 1.2035132
binsize = 0.575, bins = 35 35 53 binsize = 0.60175662, bins = 34 34 50
1 neighbor lists, perpetual/occasional/extra = 1 0 0 1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair granular, perpetual (1) pair granular, perpetual
attributes: half, newton on, size, history attributes: half, newton on, size, history
pair build: half/size/bin/newton pair build: half/size/bin/newton
stencil: half/bin/3d stencil: half/bin/3d
bin: standard bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.27 | 15.27 | 15.27 Mbytes Per MPI rank memory allocation (min/avg/max) = 15.24 | 15.24 | 15.24 Mbytes
Step Atoms KinEng Step Atoms KinEng
0 0 -0 0 0 -0
WARNING: Less insertions than requested (../fix_pour.cpp:681) WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
WARNING: Less insertions than requested (../fix_pour.cpp:681) WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
100 926 -0 100 926 -0
200 926 -0 200 926 -0
300 926 -0 300 926 -0
WARNING: Less insertions than requested (../fix_pour.cpp:681) WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
WARNING: Less insertions than requested (../fix_pour.cpp:681) WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
400 1498 -0 400 1498 -0
500 1498 -0 500 1498 -0
600 1498 -0 600 1498 -0
WARNING: Less insertions than requested (../fix_pour.cpp:681) WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
WARNING: Less insertions than requested (../fix_pour.cpp:681) WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
700 2275 -0 700 2275 -0
800 2275 -0 800 2275 -0
900 2275 -0 900 2275 -0
1000 2275 -0 1000 2275 -0
WARNING: Less insertions than requested (../fix_pour.cpp:681) WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
1100 2954 -0 1100 2954 -0
1200 2954 -0 1200 2954 -0
1300 2954 -0 1300 2954 -0
@ -166,30 +166,30 @@ WARNING: Less insertions than requested (../fix_pour.cpp:681)
4800 3000 -0 4800 3000 -0
4900 3000 -0 4900 3000 -0
5000 3000 -0 5000 3000 -0
Loop time of 10.7721 on 1 procs for 5000 steps with 3000 atoms Loop time of 10.8677 on 1 procs for 5000 steps with 3000 atoms
Performance: 40103.467 tau/day, 464.160 timesteps/s, 1.392 Matom-step/s Performance: 39750.725 tau/day, 460.078 timesteps/s, 1.380 Matom-step/s
99.5% CPU use with 1 MPI tasks x no OpenMP threads 99.6% CPU use with 1 MPI tasks x no OpenMP threads
MPI task timing breakdown: MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total Section | min time | avg time | max time |%varavg| %total
--------------------------------------------------------------- ---------------------------------------------------------------
Pair | 8.1117 | 8.1117 | 8.1117 | 0.0 | 75.30 Pair | 8.0086 | 8.0086 | 8.0086 | 0.0 | 73.69
Neigh | 1.2885 | 1.2885 | 1.2885 | 0.0 | 11.96 Neigh | 1.3537 | 1.3537 | 1.3537 | 0.0 | 12.46
Comm | 0.059888 | 0.059888 | 0.059888 | 0.0 | 0.56 Comm | 0.063133 | 0.063133 | 0.063133 | 0.0 | 0.58
Output | 0.0011158 | 0.0011158 | 0.0011158 | 0.0 | 0.01 Output | 0.0010708 | 0.0010708 | 0.0010708 | 0.0 | 0.01
Modify | 1.2436 | 1.2436 | 1.2436 | 0.0 | 11.54 Modify | 1.3723 | 1.3723 | 1.3723 | 0.0 | 12.63
Other | | 0.06727 | | | 0.62 Other | | 0.06891 | | | 0.63
Nlocal: 3000 ave 3000 max 3000 min Nlocal: 3000 ave 3000 max 3000 min
Histogram: 1 0 0 0 0 0 0 0 0 0 Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 471 ave 471 max 471 min Nghost: 477 ave 477 max 477 min
Histogram: 1 0 0 0 0 0 0 0 0 0 Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 16713 ave 16713 max 16713 min Neighs: 16725 ave 16725 max 16725 min
Histogram: 1 0 0 0 0 0 0 0 0 0 Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 16713 Total # of neighbors = 16725
Ave neighs/atom = 5.571 Ave neighs/atom = 5.575
Neighbor list builds = 1102 Neighbor list builds = 1109
Dangerous builds = 0 Dangerous builds = 0
Total wall time: 0:00:10 Total wall time: 0:00:10

56
examples/granular/log.15Sep22.pour.flatwall.g++.4 → examples/granular/log.28Mar23.pour.flatwall.g++.4
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@ -1,4 +1,4 @@
LAMMPS (15 Sep 2022) LAMMPS (28 Mar 2023 - Development)
# pour two types of particles (cohesive and non-cohesive) on flat wall # pour two types of particles (cohesive and non-cohesive) on flat wall
variable name string pour_two_types variable name string pour_two_types
@ -97,35 +97,35 @@ Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ... Neighbor list info ...
update: every = 1 steps, delay = 0 steps, check = yes update: every = 1 steps, delay = 0 steps, check = yes
max neighbors/atom: 2000, page size: 100000 max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 1.15 master list distance cutoff = 1.2035132
ghost atom cutoff = 1.15 ghost atom cutoff = 1.2035132
binsize = 0.575, bins = 35 35 53 binsize = 0.60175662, bins = 34 34 50
1 neighbor lists, perpetual/occasional/extra = 1 0 0 1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair granular, perpetual (1) pair granular, perpetual
attributes: half, newton on, size, history attributes: half, newton on, size, history
pair build: half/size/bin/newton pair build: half/size/bin/newton
stencil: half/bin/3d stencil: half/bin/3d
bin: standard bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.04 | 15.04 | 15.04 Mbytes Per MPI rank memory allocation (min/avg/max) = 15.03 | 15.03 | 15.03 Mbytes
Step Atoms KinEng Step Atoms KinEng
0 0 -0 0 0 -0
WARNING: Less insertions than requested (../fix_pour.cpp:681) WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
WARNING: Less insertions than requested (../fix_pour.cpp:681) WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
100 926 -0 100 926 -0
200 926 -0 200 926 -0
300 926 -0 300 926 -0
WARNING: Less insertions than requested (../fix_pour.cpp:681) WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
WARNING: Less insertions than requested (../fix_pour.cpp:681) WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
400 1498 -0 400 1498 -0
500 1498 -0 500 1498 -0
600 1498 -0 600 1498 -0
WARNING: Less insertions than requested (../fix_pour.cpp:681) WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
WARNING: Less insertions than requested (../fix_pour.cpp:681) WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
700 2275 -0 700 2275 -0
800 2275 -0 800 2275 -0
900 2275 -0 900 2275 -0
1000 2275 -0 1000 2275 -0
WARNING: Less insertions than requested (../fix_pour.cpp:681) WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
1100 2954 -0 1100 2954 -0
1200 2954 -0 1200 2954 -0
1300 2954 -0 1300 2954 -0
@ -166,30 +166,30 @@ WARNING: Less insertions than requested (../fix_pour.cpp:681)
4800 3000 -0 4800 3000 -0
4900 3000 -0 4900 3000 -0
5000 3000 -0 5000 3000 -0
Loop time of 4.06277 on 4 procs for 5000 steps with 3000 atoms Loop time of 4.13223 on 4 procs for 5000 steps with 3000 atoms
Performance: 106331.276 tau/day, 1230.686 timesteps/s, 3.692 Matom-step/s Performance: 104544.144 tau/day, 1210.002 timesteps/s, 3.630 Matom-step/s
98.7% CPU use with 4 MPI tasks x no OpenMP threads 98.9% CPU use with 4 MPI tasks x no OpenMP threads
MPI task timing breakdown: MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total Section | min time | avg time | max time |%varavg| %total
--------------------------------------------------------------- ---------------------------------------------------------------
Pair | 0.85426 | 1.7801 | 2.7631 | 64.4 | 43.82 Pair | 0.85927 | 1.7572 | 2.6929 | 62.8 | 42.52
Neigh | 0.18775 | 0.25657 | 0.3279 | 11.5 | 6.32 Neigh | 0.19818 | 0.26863 | 0.34064 | 11.8 | 6.50
Comm | 0.23605 | 1.3334 | 2.3703 | 81.6 | 32.82 Comm | 0.2647 | 1.3123 | 2.3283 | 79.9 | 31.76
Output | 0.00059456 | 0.0008165 | 0.0012002 | 0.0 | 0.02 Output | 0.00061316 | 0.00082693 | 0.0011984 | 0.0 | 0.02
Modify | 0.59336 | 0.64066 | 0.6864 | 4.3 | 15.77 Modify | 0.69024 | 0.74011 | 0.783 | 3.9 | 17.91
Other | | 0.05122 | | | 1.26 Other | | 0.05316 | | | 1.29
Nlocal: 750 ave 1032 max 463 min Nlocal: 750 ave 1038 max 458 min
Histogram: 2 0 0 0 0 0 0 0 0 2 Histogram: 2 0 0 0 0 0 0 0 0 2
Nghost: 426.5 ave 482 max 375 min Nghost: 456.75 ave 516 max 411 min
Histogram: 1 1 0 0 0 0 0 1 0 1 Histogram: 2 0 0 0 0 0 1 0 0 1
Neighs: 4164.25 ave 6310 max 1941 min Neighs: 4186.25 ave 6316 max 1939 min
Histogram: 2 0 0 0 0 0 0 0 0 2 Histogram: 2 0 0 0 0 0 0 0 0 2
Total # of neighbors = 16657 Total # of neighbors = 16745
Ave neighs/atom = 5.5523333 Ave neighs/atom = 5.5816667
Neighbor list builds = 1114 Neighbor list builds = 1116
Dangerous builds = 0 Dangerous builds = 0
Total wall time: 0:00:04 Total wall time: 0:00:04

46
examples/granular/log.15Sep22.pour.heat.g++.1 → examples/granular/log.28Mar23.pour.heat.g++.1
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@ -1,4 +1,4 @@
LAMMPS (22 Dec 2022) LAMMPS (28 Mar 2023 - Development)
# pour one types of particles into cylinder and oscillate # pour one types of particles into cylinder and oscillate
# temperature of the bottom plate # temperature of the bottom plate
@ -77,7 +77,7 @@ region insreg cylinder z 5 5 4.45 30 ${boxz}
region insreg cylinder z 5 5 4.45 30 50 region insreg cylinder z 5 5 4.45 30 50
fix 0 all property/atom temperature heatflow fix 0 all property/atom temperature heatflow
WARNING: Fix property/atom mol, charge, rmass, temperature, or heatflow w/out ghost communication (../fix_property_atom.cpp:196) WARNING: Fix property/atom mol, charge, rmass, temperature, or heatflow w/out ghost communication (../fix_property_atom.cpp:194)
fix 1 all balance 100 1.0 shift xy 5 1.1 fix 1 all balance 100 1.0 shift xy 5 1.1
fix 2 all nve/sphere fix 2 all nve/sphere
fix 3 all heat/flow constant 1.0 fix 3 all heat/flow constant 1.0
@ -112,14 +112,8 @@ thermo 100
timestep 0.001 timestep 0.001
#dump 1 all custom 1000 ${name}.dump id type radius mass x y z temperature heatflow dump 1 all custom 1000 ${name}.dump id type radius mass x y z temperature heatflow
dump 1 all custom 1000 heat_plate.dump id type radius mass x y z temperature heatflow
#For removal later
compute 1 all property/atom radius
variable zmax atom z+c_1>0.5*${drum_height}
variable zmax atom z+c_1>0.5*30
group delgroup dynamic all var zmax every 10000
dynamic group delgroup defined
run 100000 run 100000
Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
@ -138,24 +132,24 @@ Neighbor list info ...
Per MPI rank memory allocation (min/avg/max) = 5.944 | 5.944 | 5.944 Mbytes Per MPI rank memory allocation (min/avg/max) = 5.944 | 5.944 | 5.944 Mbytes
Step Atoms KinEng Pxx Pyy Pzz Step Atoms KinEng Pxx Pyy Pzz
0 0 -0 0 0 0 0 0 -0 0 0 0
WARNING: Less insertions than requested (../fix_pour.cpp:681) WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
WARNING: Less insertions than requested (../fix_pour.cpp:681) WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
100 536 -0 0 0 7.4220499 100 536 -0 0 0 7.4220499
200 536 -0 0 0 10.753096 200 536 -0 0 0 10.753096
300 536 -0 0 0 13.500241 300 536 -0 0 0 13.500241
400 536 -0 0 0 18.036636 400 536 -0 0 0 18.036636
WARNING: Less insertions than requested (../fix_pour.cpp:681) WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
WARNING: Less insertions than requested (../fix_pour.cpp:681) WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
500 903 -0 0 0 25.955524 500 903 -0 0 0 25.955524
600 903 -0 0 0 32.116907 600 903 -0 0 0 32.116907
700 903 -0 0.03620165 0.033499977 32.179357 700 903 -0 0.03620165 0.033499977 32.179357
800 903 -0 0.2106713 0.26431108 36.206318 800 903 -0 0.2106713 0.26431108 36.206318
WARNING: Less insertions than requested (../fix_pour.cpp:681) WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
900 1265 -0 0.2667335 0.20266671 44.177757 900 1265 -0 0.2667335 0.20266671 44.177757
1000 1265 -0 0.51829264 0.67739216 49.904079 1000 1265 -0 0.51829264 0.67739216 49.904079
1100 1265 -0 0.87526847 0.66040207 53.13465 1100 1265 -0 0.87526847 0.66040207 53.13465
1200 1265 -0 0.7989492 0.81976513 54.277194 1200 1265 -0 0.7989492 0.81976513 54.277194
WARNING: Less insertions than requested (../fix_pour.cpp:681) WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
1300 1618 -0 1.0736038 1.2317728 60.921948 1300 1618 -0 1.0736038 1.2317728 60.921948
1400 1618 -0 3.6835952 3.1929764 60.725834 1400 1618 -0 3.6835952 3.1929764 60.725834
1500 1618 -0 2.756994 2.611876 61.575807 1500 1618 -0 2.756994 2.611876 61.575807
@ -1144,20 +1138,20 @@ WARNING: Less insertions than requested (../fix_pour.cpp:681)
99800 2000 -0 7.9486941 7.5271104 6.5519215 99800 2000 -0 7.9486941 7.5271104 6.5519215
99900 2000 -0 7.9486942 7.5271152 6.5519136 99900 2000 -0 7.9486942 7.5271152 6.5519136
100000 2000 -0 7.9486939 7.5271185 6.5519079 100000 2000 -0 7.9486939 7.5271185 6.5519079
Loop time of 85.1866 on 1 procs for 100000 steps with 2000 atoms Loop time of 92.4328 on 1 procs for 100000 steps with 2000 atoms
Performance: 101424.442 tau/day, 1173.894 timesteps/s, 2.348 Matom-step/s Performance: 93473.341 tau/day, 1081.867 timesteps/s, 2.164 Matom-step/s
99.4% CPU use with 1 MPI tasks x no OpenMP threads 92.5% CPU use with 1 MPI tasks x no OpenMP threads
MPI task timing breakdown: MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total Section | min time | avg time | max time |%varavg| %total
--------------------------------------------------------------- ---------------------------------------------------------------
Pair | 63.448 | 63.448 | 63.448 | 0.0 | 74.48 Pair | 64.102 | 64.102 | 64.102 | 0.0 | 69.35
Neigh | 2.7318 | 2.7318 | 2.7318 | 0.0 | 3.21 Neigh | 2.666 | 2.666 | 2.666 | 0.0 | 2.88
Comm | 1.2139 | 1.2139 | 1.2139 | 0.0 | 1.43 Comm | 1.205 | 1.205 | 1.205 | 0.0 | 1.30
Output | 0.030165 | 0.030165 | 0.030165 | 0.0 | 0.04 Output | 6.6387 | 6.6387 | 6.6387 | 0.0 | 7.18
Modify | 16.878 | 16.878 | 16.878 | 0.0 | 19.81 Modify | 16.945 | 16.945 | 16.945 | 0.0 | 18.33
Other | | 0.8845 | | | 1.04 Other | | 0.8768 | | | 0.95
Nlocal: 2000 ave 2000 max 2000 min Nlocal: 2000 ave 2000 max 2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0 Histogram: 1 0 0 0 0 0 0 0 0 0
@ -1171,4 +1165,4 @@ Ave neighs/atom = 4.8175
Neighbor list builds = 3285 Neighbor list builds = 3285
Dangerous builds = 0 Dangerous builds = 0
Total wall time: 0:01:25 Total wall time: 0:01:32

43
examples/granular/log.15Sep22.pour.heat.g++.4 → examples/granular/log.28Mar23.pour.heat.g++.4
View File

@ -1,4 +1,4 @@
LAMMPS (22 Dec 2022) LAMMPS (28 Mar 2023 - Development)
# pour one types of particles into cylinder and oscillate # pour one types of particles into cylinder and oscillate
# temperature of the bottom plate # temperature of the bottom plate
@ -77,7 +77,7 @@ region insreg cylinder z 5 5 4.45 30 ${boxz}
region insreg cylinder z 5 5 4.45 30 50 region insreg cylinder z 5 5 4.45 30 50
fix 0 all property/atom temperature heatflow fix 0 all property/atom temperature heatflow
WARNING: Fix property/atom mol, charge, rmass, temperature, or heatflow w/out ghost communication (../fix_property_atom.cpp:196) WARNING: Fix property/atom mol, charge, rmass, temperature, or heatflow w/out ghost communication (../fix_property_atom.cpp:194)
fix 1 all balance 100 1.0 shift xy 5 1.1 fix 1 all balance 100 1.0 shift xy 5 1.1
fix 2 all nve/sphere fix 2 all nve/sphere
fix 3 all heat/flow constant 1.0 fix 3 all heat/flow constant 1.0
@ -114,13 +114,6 @@ timestep 0.001
#dump 1 all custom 1000 ${name}.dump id type radius mass x y z temperature heatflow #dump 1 all custom 1000 ${name}.dump id type radius mass x y z temperature heatflow
#For removal later
compute 1 all property/atom radius
variable zmax atom z+c_1>0.5*${drum_height}
variable zmax atom z+c_1>0.5*30
group delgroup dynamic all var zmax every 10000
dynamic group delgroup defined
run 100000 run 100000
Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ... Neighbor list info ...
@ -138,24 +131,24 @@ Neighbor list info ...
Per MPI rank memory allocation (min/avg/max) = 5.847 | 5.847 | 5.847 Mbytes Per MPI rank memory allocation (min/avg/max) = 5.847 | 5.847 | 5.847 Mbytes
Step Atoms KinEng Pxx Pyy Pzz Step Atoms KinEng Pxx Pyy Pzz
0 0 -0 0 0 0 0 0 -0 0 0 0
WARNING: Less insertions than requested (../fix_pour.cpp:681) WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
WARNING: Less insertions than requested (../fix_pour.cpp:681) WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
100 536 -0 0 0 7.4220499 100 536 -0 0 0 7.4220499
200 536 -0 0 0 10.753096 200 536 -0 0 0 10.753096
300 536 -0 0 0 13.500241 300 536 -0 0 0 13.500241
400 536 -0 0 0 18.036636 400 536 -0 0 0 18.036636
WARNING: Less insertions than requested (../fix_pour.cpp:681) WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
WARNING: Less insertions than requested (../fix_pour.cpp:681) WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
500 903 -0 0 0 25.955524 500 903 -0 0 0 25.955524
600 903 -0 0 0 32.116907 600 903 -0 0 0 32.116907
700 903 -0 0.03620165 0.033499977 32.179357 700 903 -0 0.03620165 0.033499977 32.179357
800 903 -0 0.2106713 0.26431108 36.206318 800 903 -0 0.2106713 0.26431108 36.206318
WARNING: Less insertions than requested (../fix_pour.cpp:681) WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
900 1265 -0 0.2667335 0.20266671 44.177757 900 1265 -0 0.2667335 0.20266671 44.177757
1000 1265 -0 0.51829265 0.67739212 49.904079 1000 1265 -0 0.51829265 0.67739212 49.904079
1100 1265 -0 0.87525564 0.6604066 53.13465 1100 1265 -0 0.87525564 0.6604066 53.13465
1200 1265 -0 0.8016023 0.82120199 54.27487 1200 1265 -0 0.8016023 0.82120199 54.27487
WARNING: Less insertions than requested (../fix_pour.cpp:681) WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
1300 1618 -0 1.0922969 1.2299526 61.033455 1300 1618 -0 1.0922969 1.2299526 61.033455
1400 1618 -0 3.4739827 3.2058732 60.989867 1400 1618 -0 3.4739827 3.2058732 60.989867
1500 1618 -0 2.952107 2.7920855 61.208615 1500 1618 -0 2.952107 2.7920855 61.208615
@ -1144,20 +1137,20 @@ WARNING: Less insertions than requested (../fix_pour.cpp:681)
99800 2000 -0 7.5931492 7.7670928 6.2908349 99800 2000 -0 7.5931492 7.7670928 6.2908349
99900 2000 -0 7.5931443 7.7670902 6.29084 99900 2000 -0 7.5931443 7.7670902 6.29084
100000 2000 -0 7.5931395 7.7670875 6.2908449 100000 2000 -0 7.5931395 7.7670875 6.2908449
Loop time of 29.8443 on 4 procs for 100000 steps with 2000 atoms Loop time of 30.0046 on 4 procs for 100000 steps with 2000 atoms
Performance: 289502.519 tau/day, 3350.724 timesteps/s, 6.701 Matom-step/s Performance: 287955.602 tau/day, 3332.819 timesteps/s, 6.666 Matom-step/s
96.9% CPU use with 4 MPI tasks x no OpenMP threads 96.6% CPU use with 4 MPI tasks x no OpenMP threads
MPI task timing breakdown: MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total Section | min time | avg time | max time |%varavg| %total
--------------------------------------------------------------- ---------------------------------------------------------------
Pair | 14.343 | 15.321 | 16.586 | 22.2 | 51.34 Pair | 14.456 | 15.429 | 16.749 | 23.8 | 51.42
Neigh | 0.50641 | 0.541 | 0.58175 | 3.8 | 1.81 Neigh | 0.50522 | 0.53511 | 0.56337 | 3.4 | 1.78
Comm | 4.9356 | 6.3418 | 7.3742 | 38.3 | 21.25 Comm | 4.8655 | 6.3036 | 7.267 | 39.7 | 21.01
Output | 0.019257 | 0.022039 | 0.029648 | 3.0 | 0.07 Output | 0.018666 | 0.021667 | 0.030382 | 3.4 | 0.07
Modify | 6.8727 | 6.9724 | 7.084 | 2.9 | 23.36 Modify | 6.9997 | 7.0865 | 7.1678 | 2.3 | 23.62
Other | | 0.6461 | | | 2.16 Other | | 0.6286 | | | 2.09
Nlocal: 500 ave 504 max 496 min Nlocal: 500 ave 504 max 496 min
Histogram: 2 0 0 0 0 0 0 0 0 2 Histogram: 2 0 0 0 0 0 0 0 0 2
@ -1171,4 +1164,4 @@ Ave neighs/atom = 4.8195
Neighbor list builds = 3151 Neighbor list builds = 3151
Dangerous builds = 0 Dangerous builds = 0
Total wall time: 0:00:29 Total wall time: 0:00:30

2
src/GRANULAR/fix_wall_gran_region.cpp
View File

@ -196,7 +196,7 @@ void FixWallGranRegion::post_force(int /*vflag*/)
if ((!mask[i]) & groupbit) continue; if ((!mask[i]) & groupbit) continue;
if (! region->match(x[i][0], x[i][1], x[i][2])) continue; if (! region->match(x[i][0], x[i][1], x[i][2])) continue;
nc = region->surface(x[i][0], x[i][1], x[i][2], model->pulloff_distance(radius[i], 0.0)); nc = region->surface(x[i][0], x[i][1], x[i][2], radius[i] + model->pulloff_distance(radius[i], 0.0));
if (nc > tmax) error->one(FLERR, "Too many wallgran/region contacts for one particle"); if (nc > tmax) error->one(FLERR, "Too many wallgran/region contacts for one particle");
// shear history maintenance // shear history maintenance