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Merge branch 'lammps:develop' into develop

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This commit is contained in:
Dhairya Vyas
2025-01-09 19:21:06 -06:00
committed by GitHub
parent e2f735ad29 38c3477d2f
commit 75dba6f39b
1680 changed files with 129419 additions and 59627 deletions
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116
examples/granular/log.28Mar23.pour.drum.g++.1 → examples/granular/log.27Jun24.pour.drum.g++.1
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@ -1,4 +1,4 @@
LAMMPS (28 Mar 2023 - Development)
LAMMPS (27 Jun 2024 - Development - patch_27Jun2024-930-g7036930360)
# pour two types of particles (cohesive and non-cohesive) into cylinder
# 'turn' cylinder by changing direction of gravity, then rotate it.
# This simulates a rotating drum powder characterization experiment.
@ -92,13 +92,11 @@ fix ins1 all pour 2000 1 1234 region insreg diam range 0.5 ${dhi} de
fix ins1 all pour 2000 1 1234 region insreg diam range 0.5 1 dens ${dens} ${dens}
fix ins1 all pour 2000 1 1234 region insreg diam range 0.5 1 dens 1 ${dens}
fix ins1 all pour 2000 1 1234 region insreg diam range 0.5 1 dens 1 1
Particle insertion: 9396 every 490 steps, 2000 by step 1
fix ins2 all pour 2000 2 1234 region insreg diam range ${dlo} ${dhi} dens ${dens} ${dens}
fix ins2 all pour 2000 2 1234 region insreg diam range 0.5 ${dhi} dens ${dens} ${dens}
fix ins2 all pour 2000 2 1234 region insreg diam range 0.5 1 dens ${dens} ${dens}
fix ins2 all pour 2000 2 1234 region insreg diam range 0.5 1 dens 1 ${dens}
fix ins2 all pour 2000 2 1234 region insreg diam range 0.5 1 dens 1 1
Particle insertion: 9396 every 490 steps, 2000 by step 1
comm_modify vel yes
@ -126,6 +124,8 @@ dynamic group delgroup defined
run 2000
Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
Particle insertion: 9396 every 2449 steps, 2000 by step 1
Particle insertion: 9396 every 2449 steps, 2000 by step 1
Neighbor list info ...
update: every = 1 steps, delay = 0 steps, check = yes
max neighbors/atom: 2000, page size: 100000
@ -135,7 +135,7 @@ Neighbor list info ...
1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair granular, perpetual
attributes: half, newton on, size, history
pair build: half/size/bin/newton
pair build: half/size/bin/atomonly/newton
stencil: half/bin/3d
bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.95 | 15.95 | 15.95 Mbytes
@ -161,20 +161,20 @@ Per MPI rank memory allocation (min/avg/max) = 15.95 | 15.95 | 15.95 Mbytes
1800 4000 -0 0
1900 4000 -0 0
2000 4000 -0 0
Loop time of 2.86367 on 1 procs for 2000 steps with 4000 atoms
Loop time of 2.46916 on 1 procs for 2000 steps with 4000 atoms
Performance: 60342.153 tau/day, 698.405 timesteps/s, 2.794 Matom-step/s
99.6% CPU use with 1 MPI tasks x no OpenMP threads
Performance: 69983.324 tau/day, 809.992 timesteps/s, 3.240 Matom-step/s
99.5% CPU use with 1 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.36474 | 0.36474 | 0.36474 | 0.0 | 12.74
Neigh | 1.0694 | 1.0694 | 1.0694 | 0.0 | 37.35
Comm | 0.043549 | 0.043549 | 0.043549 | 0.0 | 1.52
Output | 0.00054587 | 0.00054587 | 0.00054587 | 0.0 | 0.02
Modify | 1.3281 | 1.3281 | 1.3281 | 0.0 | 46.38
Other | | 0.05731 | | | 2.00
Pair | 0.32379 | 0.32379 | 0.32379 | 0.0 | 13.11
Neigh | 0.98775 | 0.98775 | 0.98775 | 0.0 | 40.00
Comm | 0.03762 | 0.03762 | 0.03762 | 0.0 | 1.52
Output | 0.0004273 | 0.0004273 | 0.0004273 | 0.0 | 0.02
Modify | 1.0824 | 1.0824 | 1.0824 | 0.0 | 43.84
Other | | 0.03719 | | | 1.51
Nlocal: 4000 ave 4000 max 4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
@ -213,60 +213,60 @@ Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
Per MPI rank memory allocation (min/avg/max) = 22.3 | 22.3 | 22.3 Mbytes
Step Atoms KinEng v_theta
2000 4000 59.748184 0
2100 4000 47.337202 0.031415927
2200 4000 33.303567 0.062831853
2300 4000 24.246806 0.09424778
2400 4000 17.165844 0.12566371
2500 4000 18.415922 0.15707963
2600 4000 17.3084 0.18849556
2700 4000 15.985202 0.21991149
2800 4000 14.084599 0.25132741
2900 4000 11.526622 0.28274334
3000 4000 8.9364793 0.31415927
3100 4000 6.844209 0.34557519
3200 4000 5.8243926 0.37699112
3300 4000 5.5616671 0.40840704
3400 4000 5.7219459 0.43982297
3500 4000 6.2482952 0.4712389
3600 4000 6.396804 0.50265482
3700 4000 6.6017236 0.53407075
3800 4000 6.684913 0.56548668
3900 4000 6.5988588 0.5969026
4000 4000 6.4839456 0.62831853
4100 4000 6.104233 0.65973446
4200 4000 5.6021757 0.69115038
4300 4000 4.9670639 0.72256631
4400 4000 4.3298233 0.75398224
4500 4000 3.8833884 0.78539816
4600 4000 3.4626401 0.81681409
4700 4000 3.0367615 0.84823002
4800 4000 2.762543 0.87964594
4900 4000 2.5627778 0.91106187
5000 4000 2.4007014 0.9424778
Loop time of 9.68472 on 1 procs for 3000 steps with 4000 atoms
2100 4000 47.350194 0.031415927
2200 4000 33.365489 0.062831853
2300 4000 24.167007 0.09424778
2400 4000 17.169385 0.12566371
2500 4000 18.361204 0.15707963
2600 4000 17.259574 0.18849556
2700 4000 16.022776 0.21991149
2800 4000 14.177071 0.25132741
2900 4000 11.594949 0.28274334
3000 4000 8.8305692 0.31415927
3100 4000 6.777187 0.34557519
3200 4000 5.7660641 0.37699112
3300 4000 5.6477598 0.40840704
3400 4000 5.7778867 0.43982297
3500 4000 6.1873342 0.4712389
3600 4000 6.2232869 0.50265482
3700 4000 6.3635239 0.53407075
3800 4000 6.523255 0.56548668
3900 4000 6.5008528 0.5969026
4000 4000 6.2394922 0.62831853
4100 4000 5.9742801 0.65973446
4200 4000 5.3949422 0.69115038
4300 4000 4.9123859 0.72256631
4400 4000 4.3863176 0.75398224
4500 4000 3.8729959 0.78539816
4600 4000 3.4734137 0.81681409
4700 4000 3.0478845 0.84823002
4800 4000 2.8232582 0.87964594
4900 4000 2.6314234 0.91106187
5000 4000 2.429883 0.9424778
Loop time of 8.26731 on 1 procs for 3000 steps with 4000 atoms
Performance: 26763.820 tau/day, 309.766 timesteps/s, 1.239 Matom-step/s
99.6% CPU use with 1 MPI tasks x no OpenMP threads
Performance: 31352.411 tau/day, 362.875 timesteps/s, 1.452 Matom-step/s
99.7% CPU use with 1 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 3.2753 | 3.2753 | 3.2753 | 0.0 | 33.82
Neigh | 2.2272 | 2.2272 | 2.2272 | 0.0 | 23.00
Comm | 0.068198 | 0.068198 | 0.068198 | 0.0 | 0.70
Output | 0.0008788 | 0.0008788 | 0.0008788 | 0.0 | 0.01
Modify | 4.0327 | 4.0327 | 4.0327 | 0.0 | 41.64
Other | | 0.08047 | | | 0.83
Pair | 2.9751 | 2.9751 | 2.9751 | 0.0 | 35.99
Neigh | 2.0918 | 2.0918 | 2.0918 | 0.0 | 25.30
Comm | 0.059511 | 0.059511 | 0.059511 | 0.0 | 0.72
Output | 0.0007014 | 0.0007014 | 0.0007014 | 0.0 | 0.01
Modify | 3.0819 | 3.0819 | 3.0819 | 0.0 | 37.28
Other | | 0.05826 | | | 0.70
Nlocal: 4000 ave 4000 max 4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 364 ave 364 max 364 min
Nghost: 353 ave 353 max 353 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 12973 ave 12973 max 12973 min
Neighs: 12970 ave 12970 max 12970 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 12973
Ave neighs/atom = 3.24325
Neighbor list builds = 1274
Total # of neighbors = 12970
Ave neighs/atom = 3.2425
Neighbor list builds = 1236
Dangerous builds = 130
Total wall time: 0:00:12
Total wall time: 0:00:10

44
examples/granular/log.28Mar23.pour.drum.g++.4 → examples/granular/log.27Jun24.pour.drum.g++.4
View File

@ -1,4 +1,4 @@
LAMMPS (28 Mar 2023 - Development)
LAMMPS (27 Jun 2024 - Development - patch_27Jun2024-930-g7036930360)
# pour two types of particles (cohesive and non-cohesive) into cylinder
# 'turn' cylinder by changing direction of gravity, then rotate it.
# This simulates a rotating drum powder characterization experiment.
@ -92,13 +92,11 @@ fix ins1 all pour 2000 1 1234 region insreg diam range 0.5 ${dhi} de
fix ins1 all pour 2000 1 1234 region insreg diam range 0.5 1 dens ${dens} ${dens}
fix ins1 all pour 2000 1 1234 region insreg diam range 0.5 1 dens 1 ${dens}
fix ins1 all pour 2000 1 1234 region insreg diam range 0.5 1 dens 1 1
Particle insertion: 9396 every 490 steps, 2000 by step 1
fix ins2 all pour 2000 2 1234 region insreg diam range ${dlo} ${dhi} dens ${dens} ${dens}
fix ins2 all pour 2000 2 1234 region insreg diam range 0.5 ${dhi} dens ${dens} ${dens}
fix ins2 all pour 2000 2 1234 region insreg diam range 0.5 1 dens ${dens} ${dens}
fix ins2 all pour 2000 2 1234 region insreg diam range 0.5 1 dens 1 ${dens}
fix ins2 all pour 2000 2 1234 region insreg diam range 0.5 1 dens 1 1
Particle insertion: 9396 every 490 steps, 2000 by step 1
comm_modify vel yes
@ -126,6 +124,8 @@ dynamic group delgroup defined
run 2000
Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
Particle insertion: 9396 every 2449 steps, 2000 by step 1
Particle insertion: 9396 every 2449 steps, 2000 by step 1
Neighbor list info ...
update: every = 1 steps, delay = 0 steps, check = yes
max neighbors/atom: 2000, page size: 100000
@ -135,7 +135,7 @@ Neighbor list info ...
1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair granular, perpetual
attributes: half, newton on, size, history
pair build: half/size/bin/newton
pair build: half/size/bin/atomonly/newton
stencil: half/bin/3d
bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.26 | 15.26 | 15.26 Mbytes
@ -161,20 +161,20 @@ Per MPI rank memory allocation (min/avg/max) = 15.26 | 15.26 | 15.26 Mbytes
1800 4000 -0 0
1900 4000 -0 0
2000 4000 -0 0
Loop time of 0.748557 on 4 procs for 2000 steps with 4000 atoms
Loop time of 0.717368 on 4 procs for 2000 steps with 4000 atoms
Performance: 230844.044 tau/day, 2671.806 timesteps/s, 10.687 Matom-step/s
97.9% CPU use with 4 MPI tasks x no OpenMP threads
Performance: 240880.647 tau/day, 2787.970 timesteps/s, 11.152 Matom-step/s
99.6% CPU use with 4 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.06941 | 0.071981 | 0.074417 | 0.7 | 9.62
Neigh | 0.16177 | 0.16555 | 0.17093 | 0.8 | 22.12
Comm | 0.090638 | 0.10803 | 0.12219 | 4.1 | 14.43
Output | 0.00028818 | 0.00034597 | 0.0004604 | 0.0 | 0.05
Modify | 0.36474 | 0.3754 | 0.38959 | 1.7 | 50.15
Other | | 0.02725 | | | 3.64
Pair | 0.066314 | 0.069313 | 0.072824 | 0.9 | 9.66
Neigh | 0.17091 | 0.17659 | 0.18316 | 1.2 | 24.62
Comm | 0.090794 | 0.10277 | 0.11691 | 3.3 | 14.33
Output | 0.00026021 | 0.00028548 | 0.00031629 | 0.0 | 0.04
Modify | 0.33724 | 0.3471 | 0.35578 | 1.1 | 48.39
Other | | 0.02131 | | | 2.97
Nlocal: 1000 ave 1011 max 989 min
Histogram: 2 0 0 0 0 0 0 0 0 2
@ -243,20 +243,20 @@ Per MPI rank memory allocation (min/avg/max) = 21.56 | 21.56 | 21.56 Mbytes
4800 4000 2.6544181 0.87964594
4900 4000 2.4465164 0.91106187
5000 4000 2.2332401 0.9424778
Loop time of 2.5078 on 4 procs for 3000 steps with 4000 atoms
Loop time of 2.47988 on 4 procs for 3000 steps with 4000 atoms
Performance: 103357.584 tau/day, 1196.268 timesteps/s, 4.785 Matom-step/s
98.5% CPU use with 4 MPI tasks x no OpenMP threads
Performance: 104520.996 tau/day, 1209.734 timesteps/s, 4.839 Matom-step/s
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 | 0.54095 | 0.71709 | 0.87542 | 14.0 | 28.59
Neigh | 0.36061 | 0.42976 | 0.50378 | 7.7 | 17.14
Comm | 0.17653 | 0.42898 | 0.69006 | 27.8 | 17.11
Output | 0.00074969 | 0.0013183 | 0.0019347 | 1.2 | 0.05
Modify | 0.70535 | 0.80409 | 0.91217 | 8.2 | 32.06
Other | | 0.1266 | | | 5.05
Pair | 0.51755 | 0.69165 | 0.84951 | 14.2 | 27.89
Neigh | 0.37557 | 0.44168 | 0.51371 | 7.4 | 17.81
Comm | 0.17182 | 0.42275 | 0.67979 | 27.7 | 17.05
Output | 0.00061419 | 0.0013055 | 0.0020239 | 1.4 | 0.05
Modify | 0.69708 | 0.79942 | 0.90438 | 8.2 | 32.24
Other | | 0.1231 | | | 4.96
Nlocal: 1000 ave 1311 max 689 min
Histogram: 2 0 0 0 0 0 0 0 0 2

146
examples/granular/log.28Mar23.pour.flatwall.g++.1 → examples/granular/log.27Jun24.pour.flatwall.g++.1
View File

@ -1,4 +1,4 @@
LAMMPS (28 Mar 2023 - Development)
LAMMPS (27 Jun 2024 - Development - patch_27Jun2024-930-g7036930360)
# pour two types of particles (cohesive and non-cohesive) on flat wall
variable name string pour_two_types
@ -70,13 +70,11 @@ fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 ${dhi} d
fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 1 dens ${dens} ${dens}
fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 1 dens 1 ${dens}
fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 1 dens 1 1
Particle insertion: 562 every 346 steps, 1500 by step 693
fix ins2 all pour 1500 2 3123 region insreg2 diam range ${dlo} ${dhi} dens ${dens} ${dens}
fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 ${dhi} dens ${dens} ${dens}
fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 1 dens ${dens} ${dens}
fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 1 dens 1 ${dens}
fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 1 dens 1 1
Particle insertion: 562 every 346 steps, 1500 by step 693
neighbor ${skin} bin
neighbor 0.15 bin
@ -94,6 +92,8 @@ timestep 0.001
run 5000
Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
Particle insertion: 562 every 1732 steps, 1500 by step 3465
Particle insertion: 562 every 1732 steps, 1500 by step 3465
Neighbor list info ...
update: every = 1 steps, delay = 0 steps, check = yes
max neighbors/atom: 2000, page size: 100000
@ -103,93 +103,91 @@ Neighbor list info ...
1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair granular, perpetual
attributes: half, newton on, size, history
pair build: half/size/bin/newton
pair build: half/size/bin/atomonly/newton
stencil: half/bin/3d
bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.24 | 15.24 | 15.24 Mbytes
Step Atoms KinEng
0 0 -0
WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
WARNING: Fewer insertions than requested (../fix_pour.cpp:688)
WARNING: Fewer insertions than requested (../fix_pour.cpp:688)
100 926 -0
200 926 -0
300 926 -0
WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
400 1498 -0
500 1498 -0
600 1498 -0
WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
700 2275 -0
800 2275 -0
900 2275 -0
1000 2275 -0
WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
1100 2954 -0
1200 2954 -0
1300 2954 -0
1400 3000 -0
1500 3000 -0
1600 3000 -0
1700 3000 -0
1800 3000 -0
1900 3000 -0
2000 3000 -0
2100 3000 -0
2200 3000 -0
2300 3000 -0
2400 3000 -0
2500 3000 -0
2600 3000 -0
2700 3000 -0
2800 3000 -0
2900 3000 -0
3000 3000 -0
3100 3000 -0
3200 3000 -0
3300 3000 -0
3400 3000 -0
3500 3000 -0
3600 3000 -0
3700 3000 -0
3800 3000 -0
3900 3000 -0
4000 3000 -0
4100 3000 -0
4200 3000 -0
4300 3000 -0
4400 3000 -0
4500 3000 -0
4600 3000 -0
4700 3000 -0
4800 3000 -0
4900 3000 -0
5000 3000 -0
Loop time of 10.8677 on 1 procs for 5000 steps with 3000 atoms
400 926 -0
500 926 -0
600 926 -0
700 926 -0
800 926 -0
900 926 -0
1000 926 -0
1100 926 -0
1200 926 -0
1300 926 -0
1400 926 -0
1500 926 -0
1600 926 -0
1700 926 -0
WARNING: Fewer insertions than requested (../fix_pour.cpp:688)
WARNING: Fewer insertions than requested (../fix_pour.cpp:688)
1800 1882 -0
1900 1882 -0
2000 1882 -0
2100 1882 -0
2200 1882 -0
2300 1882 -0
2400 1882 -0
2500 1882 -0
2600 1882 -0
2700 1882 -0
2800 1882 -0
2900 1882 -0
3000 1882 -0
3100 1882 -0
3200 1882 -0
3300 1882 -0
3400 1882 -0
WARNING: Fewer insertions than requested (../fix_pour.cpp:688)
3500 2849 -0
3600 2849 -0
3700 2849 -0
3800 2849 -0
3900 2849 -0
4000 2849 -0
4100 2849 -0
4200 2849 -0
4300 2849 -0
4400 2849 -0
4500 2849 -0
4600 2849 -0
4700 2849 -0
4800 2849 -0
4900 2849 -0
5000 2849 -0
Loop time of 5.10849 on 1 procs for 5000 steps with 2849 atoms
Performance: 39750.725 tau/day, 460.078 timesteps/s, 1.380 Matom-step/s
99.6% CPU use with 1 MPI tasks x no OpenMP threads
Performance: 84565.099 tau/day, 978.763 timesteps/s, 2.788 Matom-step/s
99.8% CPU use with 1 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 8.0086 | 8.0086 | 8.0086 | 0.0 | 73.69
Neigh | 1.3537 | 1.3537 | 1.3537 | 0.0 | 12.46
Comm | 0.063133 | 0.063133 | 0.063133 | 0.0 | 0.58
Output | 0.0010708 | 0.0010708 | 0.0010708 | 0.0 | 0.01
Modify | 1.3723 | 1.3723 | 1.3723 | 0.0 | 12.63
Other | | 0.06891 | | | 0.63
Pair | 3.4951 | 3.4951 | 3.4951 | 0.0 | 68.42
Neigh | 0.84792 | 0.84792 | 0.84792 | 0.0 | 16.60
Comm | 0.03348 | 0.03348 | 0.03348 | 0.0 | 0.66
Output | 0.00063957 | 0.00063957 | 0.00063957 | 0.0 | 0.01
Modify | 0.69872 | 0.69872 | 0.69872 | 0.0 | 13.68
Other | | 0.03268 | | | 0.64
Nlocal: 3000 ave 3000 max 3000 min
Nlocal: 2849 ave 2849 max 2849 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 477 ave 477 max 477 min
Nghost: 325 ave 325 max 325 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 16725 ave 16725 max 16725 min
Neighs: 12243 ave 12243 max 12243 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 16725
Ave neighs/atom = 5.575
Neighbor list builds = 1109
Total # of neighbors = 12243
Ave neighs/atom = 4.2972973
Neighbor list builds = 1275
Dangerous builds = 0
Total wall time: 0:00:10
Total wall time: 0:00:05

148
examples/granular/log.28Mar23.pour.flatwall.g++.4 → examples/granular/log.27Jun24.pour.flatwall.g++.4
View File

@ -1,4 +1,4 @@
LAMMPS (28 Mar 2023 - Development)
LAMMPS (27 Jun 2024 - Development - patch_27Jun2024-930-g7036930360)
# pour two types of particles (cohesive and non-cohesive) on flat wall
variable name string pour_two_types
@ -70,13 +70,11 @@ fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 ${dhi} d
fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 1 dens ${dens} ${dens}
fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 1 dens 1 ${dens}
fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 1 dens 1 1
Particle insertion: 562 every 346 steps, 1500 by step 693
fix ins2 all pour 1500 2 3123 region insreg2 diam range ${dlo} ${dhi} dens ${dens} ${dens}
fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 ${dhi} dens ${dens} ${dens}
fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 1 dens ${dens} ${dens}
fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 1 dens 1 ${dens}
fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 1 dens 1 1
Particle insertion: 562 every 346 steps, 1500 by step 693
neighbor ${skin} bin
neighbor 0.15 bin
@ -94,6 +92,8 @@ timestep 0.001
run 5000
Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
Particle insertion: 562 every 1732 steps, 1500 by step 3465
Particle insertion: 562 every 1732 steps, 1500 by step 3465
Neighbor list info ...
update: every = 1 steps, delay = 0 steps, check = yes
max neighbors/atom: 2000, page size: 100000
@ -103,93 +103,91 @@ Neighbor list info ...
1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair granular, perpetual
attributes: half, newton on, size, history
pair build: half/size/bin/newton
pair build: half/size/bin/atomonly/newton
stencil: half/bin/3d
bin: standard
Per MPI rank memory allocation (min/avg/max) = 15.03 | 15.03 | 15.03 Mbytes
Step Atoms KinEng
0 0 -0
WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
WARNING: Fewer insertions than requested (../fix_pour.cpp:688)
WARNING: Fewer insertions than requested (../fix_pour.cpp:688)
100 926 -0
200 926 -0
300 926 -0
WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
400 1498 -0
500 1498 -0
600 1498 -0
WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
700 2275 -0
800 2275 -0
900 2275 -0
1000 2275 -0
WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
1100 2954 -0
1200 2954 -0
1300 2954 -0
1400 3000 -0
1500 3000 -0
1600 3000 -0
1700 3000 -0
1800 3000 -0
1900 3000 -0
2000 3000 -0
2100 3000 -0
2200 3000 -0
2300 3000 -0
2400 3000 -0
2500 3000 -0
2600 3000 -0
2700 3000 -0
2800 3000 -0
2900 3000 -0
3000 3000 -0
3100 3000 -0
3200 3000 -0
3300 3000 -0
3400 3000 -0
3500 3000 -0
3600 3000 -0
3700 3000 -0
3800 3000 -0
3900 3000 -0
4000 3000 -0
4100 3000 -0
4200 3000 -0
4300 3000 -0
4400 3000 -0
4500 3000 -0
4600 3000 -0
4700 3000 -0
4800 3000 -0
4900 3000 -0
5000 3000 -0
Loop time of 4.13223 on 4 procs for 5000 steps with 3000 atoms
400 926 -0
500 926 -0
600 926 -0
700 926 -0
800 926 -0
900 926 -0
1000 926 -0
1100 926 -0
1200 926 -0
1300 926 -0
1400 926 -0
1500 926 -0
1600 926 -0
1700 926 -0
WARNING: Fewer insertions than requested (../fix_pour.cpp:688)
WARNING: Fewer insertions than requested (../fix_pour.cpp:688)
1800 1882 -0
1900 1882 -0
2000 1882 -0
2100 1882 -0
2200 1882 -0
2300 1882 -0
2400 1882 -0
2500 1882 -0
2600 1882 -0
2700 1882 -0
2800 1882 -0
2900 1882 -0
3000 1882 -0
3100 1882 -0
3200 1882 -0
3300 1882 -0
3400 1882 -0
WARNING: Fewer insertions than requested (../fix_pour.cpp:688)
3500 2849 -0
3600 2849 -0
3700 2849 -0
3800 2849 -0
3900 2849 -0
4000 2849 -0
4100 2849 -0
4200 2849 -0
4300 2849 -0
4400 2849 -0
4500 2849 -0
4600 2849 -0
4700 2849 -0
4800 2849 -0
4900 2849 -0
5000 2849 -0
Loop time of 2.29763 on 4 procs for 5000 steps with 2849 atoms
Performance: 104544.144 tau/day, 1210.002 timesteps/s, 3.630 Matom-step/s
98.9% CPU use with 4 MPI tasks x no OpenMP threads
Performance: 188019.846 tau/day, 2176.156 timesteps/s, 6.200 Matom-step/s
99.3% CPU use with 4 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.85927 | 1.7572 | 2.6929 | 62.8 | 42.52
Neigh | 0.19818 | 0.26863 | 0.34064 | 11.8 | 6.50
Comm | 0.2647 | 1.3123 | 2.3283 | 79.9 | 31.76
Output | 0.00061316 | 0.00082693 | 0.0011984 | 0.0 | 0.02
Modify | 0.69024 | 0.74011 | 0.783 | 3.9 | 17.91
Other | | 0.05316 | | | 1.29
Pair | 0.38295 | 0.832 | 1.3838 | 49.2 | 36.21
Neigh | 0.13581 | 0.1818 | 0.24052 | 10.9 | 7.91
Comm | 0.21418 | 0.83972 | 1.3498 | 56.1 | 36.55
Output | 0.00049029 | 0.00061201 | 0.00074711 | 0.0 | 0.03
Modify | 0.37843 | 0.41232 | 0.44468 | 4.0 | 17.95
Other | | 0.03117 | | | 1.36
Nlocal: 750 ave 1038 max 458 min
Nlocal: 712.25 ave 891 max 538 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Nghost: 456.75 ave 516 max 411 min
Histogram: 2 0 0 0 0 0 1 0 0 1
Neighs: 4186.25 ave 6316 max 1939 min
Nghost: 420.25 ave 451 max 381 min
Histogram: 1 0 0 1 0 0 0 0 0 2
Neighs: 3050.75 ave 4663 max 1564 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Total # of neighbors = 16745
Ave neighs/atom = 5.5816667
Neighbor list builds = 1116
Total # of neighbors = 12203
Ave neighs/atom = 4.2832573
Neighbor list builds = 1282
Dangerous builds = 0
Total wall time: 0:00:04
Total wall time: 0:00:02

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