Fixing interation cutoff in gran wall/region, rerunning relevant examples
This commit is contained in:
jtclemm
@ -75,10 +75,5 @@ timestep 0.001
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#dump 1 all custom 1000 ${name}.dump id type radius mass x y z temperature heatflow
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#For removal later
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compute 1 all property/atom radius
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variable zmax atom z+c_1>0.5*${drum_height}
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group delgroup dynamic all var zmax every 10000
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run 100000
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@ -1,4 +1,4 @@
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LAMMPS (15 Sep 2022)
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LAMMPS (28 Mar 2023 - Development)
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# pour two types of particles (cohesive and non-cohesive) into cylinder
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# 'turn' cylinder by changing direction of gravity, then rotate it.
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# This simulates a rotating drum powder characterization experiment.
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@ -129,16 +129,16 @@ Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
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Neighbor list info ...
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update: every = 1 steps, delay = 0 steps, check = yes
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max neighbors/atom: 2000, page size: 100000
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master list distance cutoff = 1.2
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ghost atom cutoff = 1.2
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binsize = 0.6, bins = 50 50 84
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master list distance cutoff = 1.2072629
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ghost atom cutoff = 1.2072629
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binsize = 0.60363143, bins = 50 50 83
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1 neighbor lists, perpetual/occasional/extra = 1 0 0
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(1) pair granular, perpetual
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attributes: half, newton on, size, history
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pair build: half/size/bin/newton
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stencil: half/bin/3d
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bin: standard
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Per MPI rank memory allocation (min/avg/max) = 16.08 | 16.08 | 16.08 Mbytes
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Per MPI rank memory allocation (min/avg/max) = 15.95 | 15.95 | 15.95 Mbytes
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Step Atoms KinEng v_theta
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0 0 -0 0
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100 4000 -0 0
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@ -161,32 +161,32 @@ Per MPI rank memory allocation (min/avg/max) = 16.08 | 16.08 | 16.08 Mbytes
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1800 4000 -0 0
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1900 4000 -0 0
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2000 4000 -0 0
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Loop time of 2.81549 on 1 procs for 2000 steps with 4000 atoms
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Loop time of 2.86367 on 1 procs for 2000 steps with 4000 atoms
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Performance: 61374.657 tau/day, 710.355 timesteps/s, 2.841 Matom-step/s
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98.4% CPU use with 1 MPI tasks x no OpenMP threads
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Performance: 60342.153 tau/day, 698.405 timesteps/s, 2.794 Matom-step/s
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99.6% CPU use with 1 MPI tasks x no OpenMP threads
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MPI task timing breakdown:
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Section | min time | avg time | max time |%varavg| %total
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---------------------------------------------------------------
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Pair | 0.35362 | 0.35362 | 0.35362 | 0.0 | 12.56
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Neigh | 1.0852 | 1.0852 | 1.0852 | 0.0 | 38.54
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Comm | 0.041891 | 0.041891 | 0.041891 | 0.0 | 1.49
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Output | 0.00059151 | 0.00059151 | 0.00059151 | 0.0 | 0.02
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Modify | 1.2814 | 1.2814 | 1.2814 | 0.0 | 45.51
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Other | | 0.0528 | | | 1.88
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Pair | 0.36474 | 0.36474 | 0.36474 | 0.0 | 12.74
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Neigh | 1.0694 | 1.0694 | 1.0694 | 0.0 | 37.35
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Comm | 0.043549 | 0.043549 | 0.043549 | 0.0 | 1.52
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Output | 0.00054587 | 0.00054587 | 0.00054587 | 0.0 | 0.02
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Modify | 1.3281 | 1.3281 | 1.3281 | 0.0 | 46.38
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Other | | 0.05731 | | | 2.00
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Nlocal: 4000 ave 4000 max 4000 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Nghost: 179 ave 179 max 179 min
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Nghost: 192 ave 192 max 192 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 7019 ave 7019 max 7019 min
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Neighs: 6959 ave 6959 max 6959 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 7019
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Ave neighs/atom = 1.75475
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Neighbor list builds = 1000
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Dangerous builds = 0
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Total # of neighbors = 6959
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Ave neighs/atom = 1.73975
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Neighbor list builds = 1042
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Dangerous builds = 82
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#Remove any particles that are above z > 0.5*drum_height
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delete_atoms group delgroup
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@ -210,63 +210,63 @@ fix grav all gravity 10 vector 0 -1 0
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variable theta equal 2*PI*elapsed/20000.0
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run 3000
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Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
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Per MPI rank memory allocation (min/avg/max) = 22.42 | 22.42 | 22.42 Mbytes
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Per MPI rank memory allocation (min/avg/max) = 22.3 | 22.3 | 22.3 Mbytes
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Step Atoms KinEng v_theta
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2000 4000 59.969827 0
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2100 4000 47.251389 0.031415927
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2200 4000 33.726755 0.062831853
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2300 4000 24.212479 0.09424778
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2400 4000 17.366268 0.12566371
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2500 4000 18.502318 0.15707963
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2600 4000 17.44981 0.18849556
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2700 4000 16.068315 0.21991149
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2800 4000 14.252644 0.25132741
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2900 4000 11.544019 0.28274334
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3000 4000 9.0353662 0.31415927
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3100 4000 6.9955912 0.34557519
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3200 4000 5.955137 0.37699112
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3300 4000 5.8947849 0.40840704
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3400 4000 6.0544729 0.43982297
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3500 4000 6.5326359 0.4712389
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3600 4000 6.6047764 0.50265482
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3700 4000 6.7073614 0.53407075
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3800 4000 6.7367804 0.56548668
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3900 4000 6.6178006 0.5969026
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4000 4000 6.3834858 0.62831853
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4100 4000 5.8660652 0.65973446
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4200 4000 5.308513 0.69115038
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4300 4000 4.7270842 0.72256631
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4400 4000 4.1920733 0.75398224
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4500 4000 3.7068814 0.78539816
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4600 4000 3.3259615 0.81681409
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4700 4000 2.9339231 0.84823002
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4800 4000 2.670752 0.87964594
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4900 4000 2.4509115 0.91106187
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5000 4000 2.2609335 0.9424778
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Loop time of 9.82178 on 1 procs for 3000 steps with 4000 atoms
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2000 4000 59.748184 0
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2100 4000 47.337202 0.031415927
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2200 4000 33.303567 0.062831853
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2300 4000 24.246806 0.09424778
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2400 4000 17.165844 0.12566371
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2500 4000 18.415922 0.15707963
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2600 4000 17.3084 0.18849556
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2700 4000 15.985202 0.21991149
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2800 4000 14.084599 0.25132741
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2900 4000 11.526622 0.28274334
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3000 4000 8.9364793 0.31415927
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3100 4000 6.844209 0.34557519
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3200 4000 5.8243926 0.37699112
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3300 4000 5.5616671 0.40840704
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3400 4000 5.7219459 0.43982297
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3500 4000 6.2482952 0.4712389
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3600 4000 6.396804 0.50265482
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3700 4000 6.6017236 0.53407075
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3800 4000 6.684913 0.56548668
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3900 4000 6.5988588 0.5969026
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4000 4000 6.4839456 0.62831853
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4100 4000 6.104233 0.65973446
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4200 4000 5.6021757 0.69115038
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4300 4000 4.9670639 0.72256631
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4400 4000 4.3298233 0.75398224
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4500 4000 3.8833884 0.78539816
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4600 4000 3.4626401 0.81681409
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4700 4000 3.0367615 0.84823002
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4800 4000 2.762543 0.87964594
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4900 4000 2.5627778 0.91106187
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5000 4000 2.4007014 0.9424778
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Loop time of 9.68472 on 1 procs for 3000 steps with 4000 atoms
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Performance: 26390.330 tau/day, 305.444 timesteps/s, 1.222 Matom-step/s
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99.4% CPU use with 1 MPI tasks x no OpenMP threads
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Performance: 26763.820 tau/day, 309.766 timesteps/s, 1.239 Matom-step/s
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99.6% CPU use with 1 MPI tasks x no OpenMP threads
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MPI task timing breakdown:
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Section | min time | avg time | max time |%varavg| %total
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---------------------------------------------------------------
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Pair | 3.2932 | 3.2932 | 3.2932 | 0.0 | 33.53
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Neigh | 2.2872 | 2.2872 | 2.2872 | 0.0 | 23.29
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Comm | 0.067117 | 0.067117 | 0.067117 | 0.0 | 0.68
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Output | 0.00093425 | 0.00093425 | 0.00093425 | 0.0 | 0.01
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Modify | 4.0986 | 4.0986 | 4.0986 | 0.0 | 41.73
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Other | | 0.07476 | | | 0.76
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Pair | 3.2753 | 3.2753 | 3.2753 | 0.0 | 33.82
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Neigh | 2.2272 | 2.2272 | 2.2272 | 0.0 | 23.00
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Comm | 0.068198 | 0.068198 | 0.068198 | 0.0 | 0.70
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Output | 0.0008788 | 0.0008788 | 0.0008788 | 0.0 | 0.01
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Modify | 4.0327 | 4.0327 | 4.0327 | 0.0 | 41.64
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Other | | 0.08047 | | | 0.83
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Nlocal: 4000 ave 4000 max 4000 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Nghost: 363 ave 363 max 363 min
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Nghost: 364 ave 364 max 364 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 13089 ave 13089 max 13089 min
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Neighs: 12973 ave 12973 max 12973 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 13089
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Ave neighs/atom = 3.27225
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Neighbor list builds = 1247
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Total # of neighbors = 12973
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Ave neighs/atom = 3.24325
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Neighbor list builds = 1274
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Dangerous builds = 130
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Total wall time: 0:00:12
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@ -1,4 +1,4 @@
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LAMMPS (15 Sep 2022)
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LAMMPS (28 Mar 2023 - Development)
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# pour two types of particles (cohesive and non-cohesive) into cylinder
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# 'turn' cylinder by changing direction of gravity, then rotate it.
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# This simulates a rotating drum powder characterization experiment.
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@ -129,16 +129,16 @@ Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
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Neighbor list info ...
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update: every = 1 steps, delay = 0 steps, check = yes
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max neighbors/atom: 2000, page size: 100000
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master list distance cutoff = 1.2
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ghost atom cutoff = 1.2
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binsize = 0.6, bins = 50 50 84
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master list distance cutoff = 1.2072629
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ghost atom cutoff = 1.2072629
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binsize = 0.60363143, bins = 50 50 83
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1 neighbor lists, perpetual/occasional/extra = 1 0 0
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(1) pair granular, perpetual
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attributes: half, newton on, size, history
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pair build: half/size/bin/newton
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stencil: half/bin/3d
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bin: standard
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Per MPI rank memory allocation (min/avg/max) = 15.3 | 15.3 | 15.3 Mbytes
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Per MPI rank memory allocation (min/avg/max) = 15.26 | 15.26 | 15.26 Mbytes
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Step Atoms KinEng v_theta
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0 0 -0 0
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100 4000 -0 0
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@ -161,30 +161,30 @@ Per MPI rank memory allocation (min/avg/max) = 15.3 | 15.3 | 15.3 Mbytes
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1800 4000 -0 0
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1900 4000 -0 0
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2000 4000 -0 0
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Loop time of 0.744926 on 4 procs for 2000 steps with 4000 atoms
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Loop time of 0.748557 on 4 procs for 2000 steps with 4000 atoms
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Performance: 231969.322 tau/day, 2684.830 timesteps/s, 10.739 Matom-step/s
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98.1% CPU use with 4 MPI tasks x no OpenMP threads
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Performance: 230844.044 tau/day, 2671.806 timesteps/s, 10.687 Matom-step/s
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97.9% CPU use with 4 MPI tasks x no OpenMP threads
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MPI task timing breakdown:
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Section | min time | avg time | max time |%varavg| %total
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---------------------------------------------------------------
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Pair | 0.064917 | 0.069813 | 0.074844 | 1.7 | 9.37
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Neigh | 0.15075 | 0.15915 | 0.1692 | 1.9 | 21.36
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Comm | 0.11223 | 0.11821 | 0.12247 | 1.1 | 15.87
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Output | 0.00030739 | 0.00036898 | 0.00046777 | 0.0 | 0.05
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Modify | 0.36068 | 0.36657 | 0.37031 | 0.7 | 49.21
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Other | | 0.03082 | | | 4.14
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Pair | 0.06941 | 0.071981 | 0.074417 | 0.7 | 9.62
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Neigh | 0.16177 | 0.16555 | 0.17093 | 0.8 | 22.12
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Comm | 0.090638 | 0.10803 | 0.12219 | 4.1 | 14.43
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Output | 0.00028818 | 0.00034597 | 0.0004604 | 0.0 | 0.05
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Modify | 0.36474 | 0.3754 | 0.38959 | 1.7 | 50.15
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Other | | 0.02725 | | | 3.64
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Nlocal: 1000 ave 1010 max 990 min
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Nlocal: 1000 ave 1011 max 989 min
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Histogram: 2 0 0 0 0 0 0 0 0 2
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Nghost: 285 ave 287 max 283 min
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Histogram: 1 0 1 0 0 0 0 1 0 1
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Neighs: 1714.25 ave 1764 max 1651 min
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Histogram: 1 0 1 0 0 0 0 0 0 2
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Nghost: 279.5 ave 288 max 265 min
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Histogram: 1 0 0 0 0 1 0 0 0 2
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Neighs: 1771 ave 1849 max 1683 min
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Histogram: 1 1 0 0 0 0 0 0 0 2
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Total # of neighbors = 6857
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Ave neighs/atom = 1.71425
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Total # of neighbors = 7084
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Ave neighs/atom = 1.771
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Neighbor list builds = 1000
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Dangerous builds = 0
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@ -210,63 +210,63 @@ fix grav all gravity 10 vector 0 -1 0
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variable theta equal 2*PI*elapsed/20000.0
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run 3000
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Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
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Per MPI rank memory allocation (min/avg/max) = 21.6 | 21.6 | 21.6 Mbytes
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Per MPI rank memory allocation (min/avg/max) = 21.56 | 21.56 | 21.56 Mbytes
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Step Atoms KinEng v_theta
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2000 4000 60.10546 0
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2100 4000 47.274123 0.031415927
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2200 4000 33.475582 0.062831853
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2300 4000 24.083669 0.09424778
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2400 4000 17.36351 0.12566371
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2500 4000 18.576501 0.15707963
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2600 4000 17.39 0.18849556
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2700 4000 15.789254 0.21991149
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2800 4000 14.08156 0.25132741
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2900 4000 11.636681 0.28274334
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3000 4000 8.9897685 0.31415927
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3100 4000 7.0703519 0.34557519
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3200 4000 6.0741809 0.37699112
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3300 4000 5.8286097 0.40840704
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3400 4000 6.059001 0.43982297
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3500 4000 6.4310861 0.4712389
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3600 4000 6.3957528 0.50265482
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3700 4000 6.4858292 0.53407075
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3800 4000 6.4685962 0.56548668
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3900 4000 6.3469676 0.5969026
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4000 4000 6.2808022 0.62831853
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4100 4000 5.957048 0.65973446
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4200 4000 5.5378951 0.69115038
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4300 4000 4.8523264 0.72256631
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4400 4000 4.2485239 0.75398224
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4500 4000 3.7587486 0.78539816
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4600 4000 3.327008 0.81681409
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4700 4000 2.9421013 0.84823002
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4800 4000 2.75247 0.87964594
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4900 4000 2.5306332 0.91106187
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5000 4000 2.352504 0.9424778
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Loop time of 2.48704 on 4 procs for 3000 steps with 4000 atoms
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2000 4000 59.519618 0
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2100 4000 46.959463 0.031415927
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2200 4000 33.575692 0.062831853
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2300 4000 24.142787 0.09424778
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2400 4000 17.337935 0.12566371
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||||
2500 4000 18.547345 0.15707963
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2600 4000 17.504214 0.18849556
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2700 4000 16.24609 0.21991149
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2800 4000 14.074959 0.25132741
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||||
2900 4000 11.85315 0.28274334
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3000 4000 9.1440638 0.31415927
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3100 4000 7.0279268 0.34557519
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3200 4000 5.9258872 0.37699112
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||||
3300 4000 5.8615694 0.40840704
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||||
3400 4000 5.9779406 0.43982297
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||||
3500 4000 6.4357798 0.4712389
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||||
3600 4000 6.4960487 0.50265482
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3700 4000 6.586721 0.53407075
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||||
3800 4000 6.5979634 0.56548668
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3900 4000 6.5728243 0.5969026
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4000 4000 6.3664722 0.62831853
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4100 4000 6.025512 0.65973446
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4200 4000 5.5922152 0.69115038
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4300 4000 5.0429386 0.72256631
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4400 4000 4.3669836 0.75398224
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4500 4000 3.8125957 0.78539816
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4600 4000 3.3457033 0.81681409
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4700 4000 2.9405372 0.84823002
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4800 4000 2.6544181 0.87964594
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4900 4000 2.4465164 0.91106187
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5000 4000 2.2332401 0.9424778
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Loop time of 2.5078 on 4 procs for 3000 steps with 4000 atoms
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Performance: 104220.238 tau/day, 1206.253 timesteps/s, 4.825 Matom-step/s
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98.6% CPU use with 4 MPI tasks x no OpenMP threads
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Performance: 103357.584 tau/day, 1196.268 timesteps/s, 4.785 Matom-step/s
|
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98.5% CPU use with 4 MPI tasks x no OpenMP threads
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MPI task timing breakdown:
|
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Section | min time | avg time | max time |%varavg| %total
|
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---------------------------------------------------------------
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Pair | 0.51605 | 0.70407 | 0.86299 | 14.7 | 28.31
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Neigh | 0.3522 | 0.42808 | 0.50041 | 8.0 | 17.21
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Comm | 0.17318 | 0.42324 | 0.7046 | 29.0 | 17.02
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Output | 0.00079725 | 0.0013956 | 0.002092 | 1.3 | 0.06
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Modify | 0.68507 | 0.79676 | 0.90954 | 8.9 | 32.04
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Other | | 0.1335 | | | 5.37
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Pair | 0.54095 | 0.71709 | 0.87542 | 14.0 | 28.59
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Neigh | 0.36061 | 0.42976 | 0.50378 | 7.7 | 17.14
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Comm | 0.17653 | 0.42898 | 0.69006 | 27.8 | 17.11
|
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Output | 0.00074969 | 0.0013183 | 0.0019347 | 1.2 | 0.05
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Modify | 0.70535 | 0.80409 | 0.91217 | 8.2 | 32.06
|
||||
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
|
||||
Nghost: 525.5 ave 781 max 417 min
|
||||
Histogram: 2 1 0 0 0 0 0 0 0 1
|
||||
Neighs: 3243.75 ave 4460 max 2012 min
|
||||
Nghost: 555.25 ave 838 max 429 min
|
||||
Histogram: 1 2 0 0 0 0 0 0 0 1
|
||||
Neighs: 3277.75 ave 4525 max 2052 min
|
||||
Histogram: 1 1 0 0 0 0 0 0 1 1
|
||||
|
||||
Total # of neighbors = 12975
|
||||
Ave neighs/atom = 3.24375
|
||||
Neighbor list builds = 1299
|
||||
Dangerous builds = 129
|
||||
Total # of neighbors = 13111
|
||||
Ave neighs/atom = 3.27775
|
||||
Neighbor list builds = 1254
|
||||
Dangerous builds = 130
|
||||
Total wall time: 0:00:03
|
||||
@ -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
|
||||
|
||||
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 ...
|
||||
update: every = 1 steps, delay = 0 steps, check = yes
|
||||
max neighbors/atom: 2000, page size: 100000
|
||||
master list distance cutoff = 1.15
|
||||
ghost atom cutoff = 1.15
|
||||
binsize = 0.575, bins = 35 35 53
|
||||
master list distance cutoff = 1.2035132
|
||||
ghost atom cutoff = 1.2035132
|
||||
binsize = 0.60175662, bins = 34 34 50
|
||||
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
|
||||
stencil: half/bin/3d
|
||||
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
|
||||
0 0 -0
|
||||
WARNING: Less 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)
|
||||
WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
|
||||
100 926 -0
|
||||
200 926 -0
|
||||
300 926 -0
|
||||
WARNING: Less 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)
|
||||
WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
|
||||
400 1498 -0
|
||||
500 1498 -0
|
||||
600 1498 -0
|
||||
WARNING: Less 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)
|
||||
WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
|
||||
700 2275 -0
|
||||
800 2275 -0
|
||||
900 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
|
||||
1200 2954 -0
|
||||
1300 2954 -0
|
||||
@ -166,30 +166,30 @@ WARNING: Less insertions than requested (../fix_pour.cpp:681)
|
||||
4800 3000 -0
|
||||
4900 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
|
||||
99.5% CPU use with 1 MPI tasks x no OpenMP threads
|
||||
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
|
||||
|
||||
MPI task timing breakdown:
|
||||
Section | min time | avg time | max time |%varavg| %total
|
||||
---------------------------------------------------------------
|
||||
Pair | 8.1117 | 8.1117 | 8.1117 | 0.0 | 75.30
|
||||
Neigh | 1.2885 | 1.2885 | 1.2885 | 0.0 | 11.96
|
||||
Comm | 0.059888 | 0.059888 | 0.059888 | 0.0 | 0.56
|
||||
Output | 0.0011158 | 0.0011158 | 0.0011158 | 0.0 | 0.01
|
||||
Modify | 1.2436 | 1.2436 | 1.2436 | 0.0 | 11.54
|
||||
Other | | 0.06727 | | | 0.62
|
||||
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
|
||||
|
||||
Nlocal: 3000 ave 3000 max 3000 min
|
||||
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
|
||||
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
|
||||
|
||||
Total # of neighbors = 16713
|
||||
Ave neighs/atom = 5.571
|
||||
Neighbor list builds = 1102
|
||||
Total # of neighbors = 16725
|
||||
Ave neighs/atom = 5.575
|
||||
Neighbor list builds = 1109
|
||||
Dangerous builds = 0
|
||||
Total wall time: 0:00:10
|
||||
@ -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
|
||||
|
||||
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 ...
|
||||
update: every = 1 steps, delay = 0 steps, check = yes
|
||||
max neighbors/atom: 2000, page size: 100000
|
||||
master list distance cutoff = 1.15
|
||||
ghost atom cutoff = 1.15
|
||||
binsize = 0.575, bins = 35 35 53
|
||||
master list distance cutoff = 1.2035132
|
||||
ghost atom cutoff = 1.2035132
|
||||
binsize = 0.60175662, bins = 34 34 50
|
||||
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
|
||||
stencil: half/bin/3d
|
||||
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
|
||||
0 0 -0
|
||||
WARNING: Less 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)
|
||||
WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
|
||||
100 926 -0
|
||||
200 926 -0
|
||||
300 926 -0
|
||||
WARNING: Less 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)
|
||||
WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
|
||||
400 1498 -0
|
||||
500 1498 -0
|
||||
600 1498 -0
|
||||
WARNING: Less 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)
|
||||
WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
|
||||
700 2275 -0
|
||||
800 2275 -0
|
||||
900 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
|
||||
1200 2954 -0
|
||||
1300 2954 -0
|
||||
@ -166,30 +166,30 @@ WARNING: Less insertions than requested (../fix_pour.cpp:681)
|
||||
4800 3000 -0
|
||||
4900 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
|
||||
98.7% CPU use with 4 MPI tasks x no OpenMP threads
|
||||
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
|
||||
|
||||
MPI task timing breakdown:
|
||||
Section | min time | avg time | max time |%varavg| %total
|
||||
---------------------------------------------------------------
|
||||
Pair | 0.85426 | 1.7801 | 2.7631 | 64.4 | 43.82
|
||||
Neigh | 0.18775 | 0.25657 | 0.3279 | 11.5 | 6.32
|
||||
Comm | 0.23605 | 1.3334 | 2.3703 | 81.6 | 32.82
|
||||
Output | 0.00059456 | 0.0008165 | 0.0012002 | 0.0 | 0.02
|
||||
Modify | 0.59336 | 0.64066 | 0.6864 | 4.3 | 15.77
|
||||
Other | | 0.05122 | | | 1.26
|
||||
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
|
||||
|
||||
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
|
||||
Nghost: 426.5 ave 482 max 375 min
|
||||
Histogram: 1 1 0 0 0 0 0 1 0 1
|
||||
Neighs: 4164.25 ave 6310 max 1941 min
|
||||
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
|
||||
Histogram: 2 0 0 0 0 0 0 0 0 2
|
||||
|
||||
Total # of neighbors = 16657
|
||||
Ave neighs/atom = 5.5523333
|
||||
Neighbor list builds = 1114
|
||||
Total # of neighbors = 16745
|
||||
Ave neighs/atom = 5.5816667
|
||||
Neighbor list builds = 1116
|
||||
Dangerous builds = 0
|
||||
Total wall time: 0:00:04
|
||||
@ -1,4 +1,4 @@
|
||||
LAMMPS (22 Dec 2022)
|
||||
LAMMPS (28 Mar 2023 - Development)
|
||||
# pour one types of particles into cylinder and oscillate
|
||||
# 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
|
||||
|
||||
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 2 all nve/sphere
|
||||
fix 3 all heat/flow constant 1.0
|
||||
@ -112,14 +112,8 @@ thermo 100
|
||||
|
||||
timestep 0.001
|
||||
|
||||
#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
|
||||
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
|
||||
|
||||
run 100000
|
||||
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
|
||||
Step Atoms KinEng Pxx Pyy Pzz
|
||||
0 0 -0 0 0 0
|
||||
WARNING: Less 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)
|
||||
WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
|
||||
100 536 -0 0 0 7.4220499
|
||||
200 536 -0 0 0 10.753096
|
||||
300 536 -0 0 0 13.500241
|
||||
400 536 -0 0 0 18.036636
|
||||
WARNING: Less 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)
|
||||
WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
|
||||
500 903 -0 0 0 25.955524
|
||||
600 903 -0 0 0 32.116907
|
||||
700 903 -0 0.03620165 0.033499977 32.179357
|
||||
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
|
||||
1000 1265 -0 0.51829264 0.67739216 49.904079
|
||||
1100 1265 -0 0.87526847 0.66040207 53.13465
|
||||
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
|
||||
1400 1618 -0 3.6835952 3.1929764 60.725834
|
||||
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
|
||||
99900 2000 -0 7.9486942 7.5271152 6.5519136
|
||||
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
|
||||
99.4% CPU use with 1 MPI tasks x no OpenMP threads
|
||||
Performance: 93473.341 tau/day, 1081.867 timesteps/s, 2.164 Matom-step/s
|
||||
92.5% CPU use with 1 MPI tasks x no OpenMP threads
|
||||
|
||||
MPI task timing breakdown:
|
||||
Section | min time | avg time | max time |%varavg| %total
|
||||
---------------------------------------------------------------
|
||||
Pair | 63.448 | 63.448 | 63.448 | 0.0 | 74.48
|
||||
Neigh | 2.7318 | 2.7318 | 2.7318 | 0.0 | 3.21
|
||||
Comm | 1.2139 | 1.2139 | 1.2139 | 0.0 | 1.43
|
||||
Output | 0.030165 | 0.030165 | 0.030165 | 0.0 | 0.04
|
||||
Modify | 16.878 | 16.878 | 16.878 | 0.0 | 19.81
|
||||
Other | | 0.8845 | | | 1.04
|
||||
Pair | 64.102 | 64.102 | 64.102 | 0.0 | 69.35
|
||||
Neigh | 2.666 | 2.666 | 2.666 | 0.0 | 2.88
|
||||
Comm | 1.205 | 1.205 | 1.205 | 0.0 | 1.30
|
||||
Output | 6.6387 | 6.6387 | 6.6387 | 0.0 | 7.18
|
||||
Modify | 16.945 | 16.945 | 16.945 | 0.0 | 18.33
|
||||
Other | | 0.8768 | | | 0.95
|
||||
|
||||
Nlocal: 2000 ave 2000 max 2000 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
@ -1171,4 +1165,4 @@ Ave neighs/atom = 4.8175
|
||||
Neighbor list builds = 3285
|
||||
Dangerous builds = 0
|
||||
|
||||
Total wall time: 0:01:25
|
||||
Total wall time: 0:01:32
|
||||
@ -1,4 +1,4 @@
|
||||
LAMMPS (22 Dec 2022)
|
||||
LAMMPS (28 Mar 2023 - Development)
|
||||
# pour one types of particles into cylinder and oscillate
|
||||
# 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
|
||||
|
||||
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 2 all nve/sphere
|
||||
fix 3 all heat/flow constant 1.0
|
||||
@ -114,13 +114,6 @@ timestep 0.001
|
||||
|
||||
#dump 1 all custom 1000 ${name}.dump id type radius mass x y z temperature heatflow
|
||||
|
||||
#For removal later
|
||||
compute 1 all property/atom radius
|
||||
variable zmax atom z+c_1>0.5*${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
|
||||
Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
|
||||
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
|
||||
Step Atoms KinEng Pxx Pyy Pzz
|
||||
0 0 -0 0 0 0
|
||||
WARNING: Less 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)
|
||||
WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
|
||||
100 536 -0 0 0 7.4220499
|
||||
200 536 -0 0 0 10.753096
|
||||
300 536 -0 0 0 13.500241
|
||||
400 536 -0 0 0 18.036636
|
||||
WARNING: Less 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)
|
||||
WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
|
||||
500 903 -0 0 0 25.955524
|
||||
600 903 -0 0 0 32.116907
|
||||
700 903 -0 0.03620165 0.033499977 32.179357
|
||||
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
|
||||
1000 1265 -0 0.51829265 0.67739212 49.904079
|
||||
1100 1265 -0 0.87525564 0.6604066 53.13465
|
||||
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
|
||||
1400 1618 -0 3.4739827 3.2058732 60.989867
|
||||
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
|
||||
99900 2000 -0 7.5931443 7.7670902 6.29084
|
||||
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
|
||||
96.9% CPU use with 4 MPI tasks x no OpenMP threads
|
||||
Performance: 287955.602 tau/day, 3332.819 timesteps/s, 6.666 Matom-step/s
|
||||
96.6% CPU use with 4 MPI tasks x no OpenMP threads
|
||||
|
||||
MPI task timing breakdown:
|
||||
Section | min time | avg time | max time |%varavg| %total
|
||||
---------------------------------------------------------------
|
||||
Pair | 14.343 | 15.321 | 16.586 | 22.2 | 51.34
|
||||
Neigh | 0.50641 | 0.541 | 0.58175 | 3.8 | 1.81
|
||||
Comm | 4.9356 | 6.3418 | 7.3742 | 38.3 | 21.25
|
||||
Output | 0.019257 | 0.022039 | 0.029648 | 3.0 | 0.07
|
||||
Modify | 6.8727 | 6.9724 | 7.084 | 2.9 | 23.36
|
||||
Other | | 0.6461 | | | 2.16
|
||||
Pair | 14.456 | 15.429 | 16.749 | 23.8 | 51.42
|
||||
Neigh | 0.50522 | 0.53511 | 0.56337 | 3.4 | 1.78
|
||||
Comm | 4.8655 | 6.3036 | 7.267 | 39.7 | 21.01
|
||||
Output | 0.018666 | 0.021667 | 0.030382 | 3.4 | 0.07
|
||||
Modify | 6.9997 | 7.0865 | 7.1678 | 2.3 | 23.62
|
||||
Other | | 0.6286 | | | 2.09
|
||||
|
||||
Nlocal: 500 ave 504 max 496 min
|
||||
Histogram: 2 0 0 0 0 0 0 0 0 2
|
||||
@ -1171,4 +1164,4 @@ Ave neighs/atom = 4.8195
|
||||
Neighbor list builds = 3151
|
||||
Dangerous builds = 0
|
||||
|
||||
Total wall time: 0:00:29
|
||||
Total wall time: 0:00:30
|
||||
@ -196,7 +196,7 @@ void FixWallGranRegion::post_force(int /*vflag*/)
|
||||
if ((!mask[i]) & groupbit) 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");
|
||||
|
||||
// shear history maintenance
|
||||
|
||||
Reference in New Issue
Block a user