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Updating doc/examples, moving forward comm to pre_force

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This commit is contained in:
jtclemm
2023-02-15 11:00:19 -07:00
parent 4a5d7c671c
commit 329dbd0485
14 changed files with 106 additions and 85 deletions
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13
examples/granular/in.pour.heat
View File

@ -3,7 +3,7 @@
variable name string heat_plate
atom_style sphere/temp
atom_style sphere
units lj
###############################################
@ -49,9 +49,10 @@ region bottom_wall plane ${xc} ${yc} 0 0 0 1 side in
region insreg cylinder z ${xc} ${yc} ${cyl_rad_inner} ${drum_height} ${boxz}
fix 0 all balance 100 1.0 shift xy 5 1.1
fix 1 all nve/sphere
fix 2 all heat/flow/sphere/temp constant 1.0
fix 0 all property/atom temperature heatflow
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
fix grav all gravity 10 vector 0 0 -1
fix ins1 all pour 1000 1 1234 region insreg diam range ${dlo} ${dhi} dens ${dens} ${dens}
fix ins2 all pour 1000 2 1234 region insreg diam range ${dlo} ${dhi} dens ${dens} ${dens}
@ -63,8 +64,8 @@ neigh_modify delay 0 every 1 check yes
variable oscillate equal 1.0*sin(step*0.0001)
fix 3 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji region curved_wall
fix 4 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji heat area 5.0 region bottom_wall temperature v_oscillate
fix 4 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji region curved_wall
fix 5 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji heat area 5.0 region bottom_wall temperature v_oscillate
thermo_style custom step atoms ke pxx pyy pzz
thermo_modify lost warn

36
examples/granular/log.15Sep22.pour.heat.g++.1
View File

@ -1,10 +1,10 @@
LAMMPS (15 Sep 2022)
LAMMPS (22 Dec 2022)
# pour one types of particles into cylinder and oscillate
# temperature of the bottom plate
variable name string heat_plate
atom_style sphere/temp
atom_style sphere
units lj
###############################################
@ -76,9 +76,11 @@ region insreg cylinder z 5 5 4.45 ${drum_height} ${boxz}
region insreg cylinder z 5 5 4.45 30 ${boxz}
region insreg cylinder z 5 5 4.45 30 50
fix 0 all balance 100 1.0 shift xy 5 1.1
fix 1 all nve/sphere
fix 2 all heat/flow/sphere/temp constant 1.0
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)
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
fix grav all gravity 10 vector 0 0 -1
fix ins1 all pour 1000 1 1234 region insreg diam range ${dlo} ${dhi} dens ${dens} ${dens}
fix ins1 all pour 1000 1 1234 region insreg diam range 0.5 ${dhi} dens ${dens} ${dens}
@ -101,8 +103,8 @@ neigh_modify delay 0 every 1 check yes
variable oscillate equal 1.0*sin(step*0.0001)
fix 3 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji region curved_wall
fix 4 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji heat area 5.0 region bottom_wall temperature v_oscillate
fix 4 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji region curved_wall
fix 5 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji heat area 5.0 region bottom_wall temperature v_oscillate
thermo_style custom step atoms ke pxx pyy pzz
thermo_modify lost warn
@ -1142,20 +1144,20 @@ 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 87.7116 on 1 procs for 100000 steps with 2000 atoms
Loop time of 85.1866 on 1 procs for 100000 steps with 2000 atoms
Performance: 98504.589 tau/day, 1140.099 timesteps/s, 2.280 Matom-step/s
99.5% CPU use with 1 MPI tasks x no OpenMP threads
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
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 66.081 | 66.081 | 66.081 | 0.0 | 75.34
Neigh | 2.7411 | 2.7411 | 2.7411 | 0.0 | 3.13
Comm | 1.3393 | 1.3393 | 1.3393 | 0.0 | 1.53
Output | 0.029473 | 0.029473 | 0.029473 | 0.0 | 0.03
Modify | 16.598 | 16.598 | 16.598 | 0.0 | 18.92
Other | | 0.9233 | | | 1.05
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
Nlocal: 2000 ave 2000 max 2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
@ -1169,4 +1171,4 @@ Ave neighs/atom = 4.8175
Neighbor list builds = 3285
Dangerous builds = 0
Total wall time: 0:01:27
Total wall time: 0:01:25

36
examples/granular/log.15Sep22.pour.heat.g++.4
View File

@ -1,10 +1,10 @@
LAMMPS (15 Sep 2022)
LAMMPS (22 Dec 2022)
# pour one types of particles into cylinder and oscillate
# temperature of the bottom plate
variable name string heat_plate
atom_style sphere/temp
atom_style sphere
units lj
###############################################
@ -76,9 +76,11 @@ region insreg cylinder z 5 5 4.45 ${drum_height} ${boxz}
region insreg cylinder z 5 5 4.45 30 ${boxz}
region insreg cylinder z 5 5 4.45 30 50
fix 0 all balance 100 1.0 shift xy 5 1.1
fix 1 all nve/sphere
fix 2 all heat/flow/sphere/temp constant 1.0
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)
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
fix grav all gravity 10 vector 0 0 -1
fix ins1 all pour 1000 1 1234 region insreg diam range ${dlo} ${dhi} dens ${dens} ${dens}
fix ins1 all pour 1000 1 1234 region insreg diam range 0.5 ${dhi} dens ${dens} ${dens}
@ -101,8 +103,8 @@ neigh_modify delay 0 every 1 check yes
variable oscillate equal 1.0*sin(step*0.0001)
fix 3 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji region curved_wall
fix 4 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji heat area 5.0 region bottom_wall temperature v_oscillate
fix 4 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji region curved_wall
fix 5 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji heat area 5.0 region bottom_wall temperature v_oscillate
thermo_style custom step atoms ke pxx pyy pzz
thermo_modify lost warn
@ -1142,20 +1144,20 @@ 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 28.4684 on 4 procs for 100000 steps with 2000 atoms
Loop time of 29.8443 on 4 procs for 100000 steps with 2000 atoms
Performance: 303494.659 tau/day, 3512.670 timesteps/s, 7.025 Matom-step/s
96.7% CPU use with 4 MPI tasks x no OpenMP threads
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
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 14.471 | 15.426 | 16.874 | 24.3 | 54.19
Neigh | 0.50185 | 0.52867 | 0.55379 | 3.1 | 1.86
Comm | 5.277 | 6.8933 | 7.8956 | 40.4 | 24.21
Output | 0.019683 | 0.022775 | 0.031664 | 3.4 | 0.08
Modify | 4.7145 | 4.8537 | 5.0111 | 6.1 | 17.05
Other | | 0.7439 | | | 2.61
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
Nlocal: 500 ave 504 max 496 min
Histogram: 2 0 0 0 0 0 0 0 0 2
@ -1169,4 +1171,4 @@ Ave neighs/atom = 4.8195
Neighbor list builds = 3151
Dangerous builds = 0
Total wall time: 0:00:28
Total wall time: 0:00:29