move fix to EXTRA-FIX package, update docs, add reference logs to example
This commit is contained in:
Axel Kohlmeyer
@ -42,6 +42,8 @@ Examples
|
|||||||
Description
|
Description
|
||||||
"""""""""""
|
"""""""""""
|
||||||
|
|
||||||
|
.. versionadded:: TBD
|
||||||
|
|
||||||
This fix implements flow boundary conditions (FBC) introduced in :ref:`(Pavlov1) <fbc-Pavlov1>` and :ref:`(Pavlov2) <fbc-Pavlov2>`.
|
This fix implements flow boundary conditions (FBC) introduced in :ref:`(Pavlov1) <fbc-Pavlov1>` and :ref:`(Pavlov2) <fbc-Pavlov2>`.
|
||||||
The goal is to generate a stationary flow with a shifted Maxwell velocity distribution:
|
The goal is to generate a stationary flow with a shifted Maxwell velocity distribution:
|
||||||
|
|
||||||
@ -108,6 +110,10 @@ This fix is not invoked during :doc:`energy minimization <minimize>`.
|
|||||||
Restrictions
|
Restrictions
|
||||||
""""""""""""
|
""""""""""""
|
||||||
|
|
||||||
|
Fix *wall_flow* is part of the EXTRA-FIX package. It is only enabled
|
||||||
|
if LAMMPS was built with that package. See the :doc:`Build package
|
||||||
|
<Build_package>` page for more info.
|
||||||
|
|
||||||
Flow boundary conditions should not be used with rigid bodies such as those
|
Flow boundary conditions should not be used with rigid bodies such as those
|
||||||
defined by a "fix rigid" command.
|
defined by a "fix rigid" command.
|
||||||
|
|
||||||
|
|||||||
@ -1,4 +1,4 @@
|
|||||||
variable nrun equal 10000
|
variable nrun equal 1000
|
||||||
variable dump_count equal 10
|
variable dump_count equal 10
|
||||||
|
|
||||||
variable nwall equal 4
|
variable nwall equal 4
|
||||||
|
|||||||
182
examples/wall/log.7Feb24.wall.flow.g++.1
Normal file
182
examples/wall/log.7Feb24.wall.flow.g++.1
Normal file
@ -0,0 +1,182 @@
|
|||||||
|
LAMMPS (21 Nov 2023 - Development - patch_21Nov2023-758-ge33590b2fc-modified)
|
||||||
|
using 1 OpenMP thread(s) per MPI task
|
||||||
|
variable nrun equal 1000
|
||||||
|
variable dump_count equal 10
|
||||||
|
|
||||||
|
variable nwall equal 4
|
||||||
|
variable w1 equal 67
|
||||||
|
variable w2 equal 71
|
||||||
|
variable w3 equal 75
|
||||||
|
variable w4 equal 79
|
||||||
|
|
||||||
|
variable x_cylinder equal 20
|
||||||
|
variable y_cylinder equal 17
|
||||||
|
variable r_cylinder equal 4
|
||||||
|
|
||||||
|
variable MASS equal 1
|
||||||
|
variable TEMP equal 0.4
|
||||||
|
variable VFLOW equal 0.5
|
||||||
|
|
||||||
|
units lj
|
||||||
|
atom_style atomic
|
||||||
|
|
||||||
|
lattice fcc 0.3
|
||||||
|
Lattice spacing in x,y,z = 2.3712622 2.3712622 2.3712622
|
||||||
|
region sim_box block 0 84 0 34 0 10
|
||||||
|
|
||||||
|
boundary p p p
|
||||||
|
|
||||||
|
create_box 2 sim_box
|
||||||
|
Created orthogonal box = (0 0 0) to (199.18603 80.622915 23.712622)
|
||||||
|
1 by 1 by 1 MPI processor grid
|
||||||
|
region reg_cylinder cylinder z ${x_cylinder} ${y_cylinder} ${r_cylinder} EDGE EDGE
|
||||||
|
region reg_cylinder cylinder z 20 ${y_cylinder} ${r_cylinder} EDGE EDGE
|
||||||
|
region reg_cylinder cylinder z 20 17 ${r_cylinder} EDGE EDGE
|
||||||
|
region reg_cylinder cylinder z 20 17 4 EDGE EDGE
|
||||||
|
|
||||||
|
create_atoms 1 box
|
||||||
|
Created 114240 atoms
|
||||||
|
using lattice units in orthogonal box = (0 0 0) to (199.18603 80.622915 23.712622)
|
||||||
|
create_atoms CPU = 0.010 seconds
|
||||||
|
|
||||||
|
## setup obstacle ##
|
||||||
|
group g_obst region reg_cylinder
|
||||||
|
1950 atoms in group g_obst
|
||||||
|
group g_flow subtract all g_obst
|
||||||
|
112290 atoms in group g_flow
|
||||||
|
set group g_obst type 2
|
||||||
|
Setting atom values ...
|
||||||
|
1950 settings made for type
|
||||||
|
|
||||||
|
mass 1 ${MASS}
|
||||||
|
mass 1 1
|
||||||
|
mass 2 ${MASS}
|
||||||
|
mass 2 1
|
||||||
|
|
||||||
|
velocity g_flow create ${TEMP} 4928459 rot yes dist gaussian
|
||||||
|
velocity g_flow create 0.4 4928459 rot yes dist gaussian
|
||||||
|
velocity g_obst set 0.0 0.0 0.0
|
||||||
|
|
||||||
|
pair_style lj/cut 1.122462
|
||||||
|
pair_coeff 1 1 1.0 1.0
|
||||||
|
pair_coeff 1 2 1.0 1.0
|
||||||
|
pair_coeff 2 2 1.0 1.0
|
||||||
|
pair_modify shift yes
|
||||||
|
|
||||||
|
neighbor 0.3 bin
|
||||||
|
neigh_modify delay 0 every 20 check no
|
||||||
|
|
||||||
|
fix 1 g_flow nve
|
||||||
|
fix 2 g_flow wall/flow x ${VFLOW} ${TEMP} 123 ${nwall} ${w1} ${w2} ${w3} ${w4}
|
||||||
|
fix 2 g_flow wall/flow x 0.5 ${TEMP} 123 ${nwall} ${w1} ${w2} ${w3} ${w4}
|
||||||
|
fix 2 g_flow wall/flow x 0.5 0.4 123 ${nwall} ${w1} ${w2} ${w3} ${w4}
|
||||||
|
fix 2 g_flow wall/flow x 0.5 0.4 123 4 ${w1} ${w2} ${w3} ${w4}
|
||||||
|
fix 2 g_flow wall/flow x 0.5 0.4 123 4 67 ${w2} ${w3} ${w4}
|
||||||
|
fix 2 g_flow wall/flow x 0.5 0.4 123 4 67 71 ${w3} ${w4}
|
||||||
|
fix 2 g_flow wall/flow x 0.5 0.4 123 4 67 71 75 ${w4}
|
||||||
|
fix 2 g_flow wall/flow x 0.5 0.4 123 4 67 71 75 79
|
||||||
|
|
||||||
|
variable dump_every equal ${nrun}/${dump_count}
|
||||||
|
variable dump_every equal 1000/${dump_count}
|
||||||
|
variable dump_every equal 1000/10
|
||||||
|
variable thermo_every equal ${dump_every}
|
||||||
|
variable thermo_every equal 100
|
||||||
|
variable restart_every equal ${nrun}/10
|
||||||
|
variable restart_every equal 1000/10
|
||||||
|
|
||||||
|
##### uncomment for grid aggregation #####
|
||||||
|
#variable gr_Nx equal 42
|
||||||
|
#variable gr_Ny equal 17
|
||||||
|
#variable gr_Nz equal 1
|
||||||
|
#variable gr_Nevery equal ${dump_every}
|
||||||
|
#variable gr_Nrepeat equal 1
|
||||||
|
#variable gr_Nfreq equal ${dump_every}
|
||||||
|
#fix 3 g_flow ave/grid ${gr_Nevery} ${gr_Nrepeat} ${gr_Nfreq} ${gr_Nx} ${gr_Ny} ${gr_Nz} vx vy vz density/mass norm all ave one
|
||||||
|
#compute ct_gridId g_flow property/grid ${gr_Nx} ${gr_Ny} ${gr_Nz} id
|
||||||
|
#dump dmp_grid g_flow grid ${dump_every} grid.lammpstrj c_ct_gridId:grid:data f_3:grid:data[*]
|
||||||
|
##########################################
|
||||||
|
|
||||||
|
#dump dmp_coord all atom ${dump_every} dump.lammpstrj
|
||||||
|
|
||||||
|
#compute ct_Temp g_flow temp/com
|
||||||
|
#thermo_style custom step temp epair emol etotal press c_ct_Temp
|
||||||
|
|
||||||
|
#restart ${restart_every} flow.restart
|
||||||
|
|
||||||
|
timestep 0.005
|
||||||
|
thermo ${thermo_every}
|
||||||
|
thermo 100
|
||||||
|
run ${nrun}
|
||||||
|
run 1000
|
||||||
|
|
||||||
|
CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE
|
||||||
|
|
||||||
|
Your simulation uses code contributions which should be cited:
|
||||||
|
|
||||||
|
- fix wall/flow command: doi:10.1177/10943420231213013
|
||||||
|
|
||||||
|
@Article{Pavlov-etal-IJHPCA-2024,
|
||||||
|
author = {Daniil Pavlov and Vladislav Galigerov and Daniil Kolotinskii and Vsevolod Nikolskiy and Vladimir Stegailov},
|
||||||
|
title = {GPU-based molecular dynamics of fluid flows: Reaching for turbulence},
|
||||||
|
journal = {The International Journal of High Performance Computing Applications},
|
||||||
|
year = 2024,
|
||||||
|
volume = 38,
|
||||||
|
number = 1,
|
||||||
|
pages = 34-49
|
||||||
|
}
|
||||||
|
|
||||||
|
CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE
|
||||||
|
|
||||||
|
Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
|
||||||
|
Neighbor list info ...
|
||||||
|
update: every = 20 steps, delay = 0 steps, check = no
|
||||||
|
max neighbors/atom: 2000, page size: 100000
|
||||||
|
master list distance cutoff = 1.422462
|
||||||
|
ghost atom cutoff = 1.422462
|
||||||
|
binsize = 0.711231, bins = 281 114 34
|
||||||
|
1 neighbor lists, perpetual/occasional/extra = 1 0 0
|
||||||
|
(1) pair lj/cut, perpetual
|
||||||
|
attributes: half, newton on
|
||||||
|
pair build: half/bin/atomonly/newton
|
||||||
|
stencil: half/bin/3d
|
||||||
|
bin: standard
|
||||||
|
Per MPI rank memory allocation (min/avg/max) = 26.69 | 26.69 | 26.69 Mbytes
|
||||||
|
Step Temp E_pair E_mol TotEng Press
|
||||||
|
0 0.39317221 0 0 0.58975315 0.11795063
|
||||||
|
100 0.3671684 0.045118445 0 0.59586622 0.27378331
|
||||||
|
200 0.3732041 0.036897471 0 0.59669873 0.24917809
|
||||||
|
300 0.37432305 0.036501844 0 0.5979815 0.24715194
|
||||||
|
400 0.37603886 0.035350565 0 0.59940392 0.24480762
|
||||||
|
500 0.37617142 0.036949771 0 0.60120196 0.24862985
|
||||||
|
600 0.37751983 0.036484268 0 0.60275905 0.24784635
|
||||||
|
700 0.37787831 0.037327783 0 0.60414029 0.25060427
|
||||||
|
800 0.37959242 0.036206184 0 0.60558983 0.2476903
|
||||||
|
900 0.38019033 0.036874395 0 0.6071549 0.24984211
|
||||||
|
1000 0.38070666 0.037068948 0 0.60812395 0.25041936
|
||||||
|
Loop time of 5.61598 on 1 procs for 1000 steps with 114240 atoms
|
||||||
|
|
||||||
|
Performance: 76923.319 tau/day, 178.063 timesteps/s, 20.342 Matom-step/s
|
||||||
|
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads
|
||||||
|
|
||||||
|
MPI task timing breakdown:
|
||||||
|
Section | min time | avg time | max time |%varavg| %total
|
||||||
|
---------------------------------------------------------------
|
||||||
|
Pair | 2.6351 | 2.6351 | 2.6351 | 0.0 | 46.92
|
||||||
|
Neigh | 1.2994 | 1.2994 | 1.2994 | 0.0 | 23.14
|
||||||
|
Comm | 0.26576 | 0.26576 | 0.26576 | 0.0 | 4.73
|
||||||
|
Output | 0.0030531 | 0.0030531 | 0.0030531 | 0.0 | 0.05
|
||||||
|
Modify | 1.3019 | 1.3019 | 1.3019 | 0.0 | 23.18
|
||||||
|
Other | | 0.1107 | | | 1.97
|
||||||
|
|
||||||
|
Nlocal: 114240 ave 114240 max 114240 min
|
||||||
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||||
|
Nghost: 20119 ave 20119 max 20119 min
|
||||||
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||||
|
Neighs: 164018 ave 164018 max 164018 min
|
||||||
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||||
|
|
||||||
|
Total # of neighbors = 164018
|
||||||
|
Ave neighs/atom = 1.4357318
|
||||||
|
Neighbor list builds = 50
|
||||||
|
Dangerous builds not checked
|
||||||
|
Total wall time: 0:00:05
|
||||||
182
examples/wall/log.7Feb24.wall.flow.g++.4
Normal file
182
examples/wall/log.7Feb24.wall.flow.g++.4
Normal file
@ -0,0 +1,182 @@
|
|||||||
|
LAMMPS (21 Nov 2023 - Development - patch_21Nov2023-758-ge33590b2fc-modified)
|
||||||
|
using 1 OpenMP thread(s) per MPI task
|
||||||
|
variable nrun equal 1000
|
||||||
|
variable dump_count equal 10
|
||||||
|
|
||||||
|
variable nwall equal 4
|
||||||
|
variable w1 equal 67
|
||||||
|
variable w2 equal 71
|
||||||
|
variable w3 equal 75
|
||||||
|
variable w4 equal 79
|
||||||
|
|
||||||
|
variable x_cylinder equal 20
|
||||||
|
variable y_cylinder equal 17
|
||||||
|
variable r_cylinder equal 4
|
||||||
|
|
||||||
|
variable MASS equal 1
|
||||||
|
variable TEMP equal 0.4
|
||||||
|
variable VFLOW equal 0.5
|
||||||
|
|
||||||
|
units lj
|
||||||
|
atom_style atomic
|
||||||
|
|
||||||
|
lattice fcc 0.3
|
||||||
|
Lattice spacing in x,y,z = 2.3712622 2.3712622 2.3712622
|
||||||
|
region sim_box block 0 84 0 34 0 10
|
||||||
|
|
||||||
|
boundary p p p
|
||||||
|
|
||||||
|
create_box 2 sim_box
|
||||||
|
Created orthogonal box = (0 0 0) to (199.18603 80.622915 23.712622)
|
||||||
|
4 by 1 by 1 MPI processor grid
|
||||||
|
region reg_cylinder cylinder z ${x_cylinder} ${y_cylinder} ${r_cylinder} EDGE EDGE
|
||||||
|
region reg_cylinder cylinder z 20 ${y_cylinder} ${r_cylinder} EDGE EDGE
|
||||||
|
region reg_cylinder cylinder z 20 17 ${r_cylinder} EDGE EDGE
|
||||||
|
region reg_cylinder cylinder z 20 17 4 EDGE EDGE
|
||||||
|
|
||||||
|
create_atoms 1 box
|
||||||
|
Created 114240 atoms
|
||||||
|
using lattice units in orthogonal box = (0 0 0) to (199.18603 80.622915 23.712622)
|
||||||
|
create_atoms CPU = 0.003 seconds
|
||||||
|
|
||||||
|
## setup obstacle ##
|
||||||
|
group g_obst region reg_cylinder
|
||||||
|
1950 atoms in group g_obst
|
||||||
|
group g_flow subtract all g_obst
|
||||||
|
112290 atoms in group g_flow
|
||||||
|
set group g_obst type 2
|
||||||
|
Setting atom values ...
|
||||||
|
1950 settings made for type
|
||||||
|
|
||||||
|
mass 1 ${MASS}
|
||||||
|
mass 1 1
|
||||||
|
mass 2 ${MASS}
|
||||||
|
mass 2 1
|
||||||
|
|
||||||
|
velocity g_flow create ${TEMP} 4928459 rot yes dist gaussian
|
||||||
|
velocity g_flow create 0.4 4928459 rot yes dist gaussian
|
||||||
|
velocity g_obst set 0.0 0.0 0.0
|
||||||
|
|
||||||
|
pair_style lj/cut 1.122462
|
||||||
|
pair_coeff 1 1 1.0 1.0
|
||||||
|
pair_coeff 1 2 1.0 1.0
|
||||||
|
pair_coeff 2 2 1.0 1.0
|
||||||
|
pair_modify shift yes
|
||||||
|
|
||||||
|
neighbor 0.3 bin
|
||||||
|
neigh_modify delay 0 every 20 check no
|
||||||
|
|
||||||
|
fix 1 g_flow nve
|
||||||
|
fix 2 g_flow wall/flow x ${VFLOW} ${TEMP} 123 ${nwall} ${w1} ${w2} ${w3} ${w4}
|
||||||
|
fix 2 g_flow wall/flow x 0.5 ${TEMP} 123 ${nwall} ${w1} ${w2} ${w3} ${w4}
|
||||||
|
fix 2 g_flow wall/flow x 0.5 0.4 123 ${nwall} ${w1} ${w2} ${w3} ${w4}
|
||||||
|
fix 2 g_flow wall/flow x 0.5 0.4 123 4 ${w1} ${w2} ${w3} ${w4}
|
||||||
|
fix 2 g_flow wall/flow x 0.5 0.4 123 4 67 ${w2} ${w3} ${w4}
|
||||||
|
fix 2 g_flow wall/flow x 0.5 0.4 123 4 67 71 ${w3} ${w4}
|
||||||
|
fix 2 g_flow wall/flow x 0.5 0.4 123 4 67 71 75 ${w4}
|
||||||
|
fix 2 g_flow wall/flow x 0.5 0.4 123 4 67 71 75 79
|
||||||
|
|
||||||
|
variable dump_every equal ${nrun}/${dump_count}
|
||||||
|
variable dump_every equal 1000/${dump_count}
|
||||||
|
variable dump_every equal 1000/10
|
||||||
|
variable thermo_every equal ${dump_every}
|
||||||
|
variable thermo_every equal 100
|
||||||
|
variable restart_every equal ${nrun}/10
|
||||||
|
variable restart_every equal 1000/10
|
||||||
|
|
||||||
|
##### uncomment for grid aggregation #####
|
||||||
|
#variable gr_Nx equal 42
|
||||||
|
#variable gr_Ny equal 17
|
||||||
|
#variable gr_Nz equal 1
|
||||||
|
#variable gr_Nevery equal ${dump_every}
|
||||||
|
#variable gr_Nrepeat equal 1
|
||||||
|
#variable gr_Nfreq equal ${dump_every}
|
||||||
|
#fix 3 g_flow ave/grid ${gr_Nevery} ${gr_Nrepeat} ${gr_Nfreq} ${gr_Nx} ${gr_Ny} ${gr_Nz} vx vy vz density/mass norm all ave one
|
||||||
|
#compute ct_gridId g_flow property/grid ${gr_Nx} ${gr_Ny} ${gr_Nz} id
|
||||||
|
#dump dmp_grid g_flow grid ${dump_every} grid.lammpstrj c_ct_gridId:grid:data f_3:grid:data[*]
|
||||||
|
##########################################
|
||||||
|
|
||||||
|
#dump dmp_coord all atom ${dump_every} dump.lammpstrj
|
||||||
|
|
||||||
|
#compute ct_Temp g_flow temp/com
|
||||||
|
#thermo_style custom step temp epair emol etotal press c_ct_Temp
|
||||||
|
|
||||||
|
#restart ${restart_every} flow.restart
|
||||||
|
|
||||||
|
timestep 0.005
|
||||||
|
thermo ${thermo_every}
|
||||||
|
thermo 100
|
||||||
|
run ${nrun}
|
||||||
|
run 1000
|
||||||
|
|
||||||
|
CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE
|
||||||
|
|
||||||
|
Your simulation uses code contributions which should be cited:
|
||||||
|
|
||||||
|
- fix wall/flow command: doi:10.1177/10943420231213013
|
||||||
|
|
||||||
|
@Article{Pavlov-etal-IJHPCA-2024,
|
||||||
|
author = {Daniil Pavlov and Vladislav Galigerov and Daniil Kolotinskii and Vsevolod Nikolskiy and Vladimir Stegailov},
|
||||||
|
title = {GPU-based molecular dynamics of fluid flows: Reaching for turbulence},
|
||||||
|
journal = {The International Journal of High Performance Computing Applications},
|
||||||
|
year = 2024,
|
||||||
|
volume = 38,
|
||||||
|
number = 1,
|
||||||
|
pages = 34-49
|
||||||
|
}
|
||||||
|
|
||||||
|
CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE
|
||||||
|
|
||||||
|
Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
|
||||||
|
Neighbor list info ...
|
||||||
|
update: every = 20 steps, delay = 0 steps, check = no
|
||||||
|
max neighbors/atom: 2000, page size: 100000
|
||||||
|
master list distance cutoff = 1.422462
|
||||||
|
ghost atom cutoff = 1.422462
|
||||||
|
binsize = 0.711231, bins = 281 114 34
|
||||||
|
1 neighbor lists, perpetual/occasional/extra = 1 0 0
|
||||||
|
(1) pair lj/cut, perpetual
|
||||||
|
attributes: half, newton on
|
||||||
|
pair build: half/bin/atomonly/newton
|
||||||
|
stencil: half/bin/3d
|
||||||
|
bin: standard
|
||||||
|
Per MPI rank memory allocation (min/avg/max) = 8.496 | 8.496 | 8.496 Mbytes
|
||||||
|
Step Temp E_pair E_mol TotEng Press
|
||||||
|
0 0.39317221 0 0 0.58975315 0.11795063
|
||||||
|
100 0.36726398 0.045386014 0 0.59627716 0.27402111
|
||||||
|
200 0.37384538 0.036574547 0 0.5973377 0.24836729
|
||||||
|
300 0.37487455 0.036519645 0 0.59882654 0.24691726
|
||||||
|
400 0.37591417 0.036405755 0 0.60027207 0.24700641
|
||||||
|
500 0.37654714 0.037008829 0 0.60182459 0.24883444
|
||||||
|
600 0.3778008 0.03663706 0 0.6033333 0.24874392
|
||||||
|
700 0.37851338 0.036714175 0 0.60447928 0.24881829
|
||||||
|
800 0.37984876 0.036237049 0 0.6060052 0.24843003
|
||||||
|
900 0.38022763 0.036847615 0 0.60718407 0.24987198
|
||||||
|
1000 0.38084717 0.037139994 0 0.60840575 0.25070072
|
||||||
|
Loop time of 2.20347 on 4 procs for 1000 steps with 114240 atoms
|
||||||
|
|
||||||
|
Performance: 196054.093 tau/day, 453.829 timesteps/s, 51.845 Matom-step/s
|
||||||
|
95.6% CPU use with 4 MPI tasks x 1 OpenMP threads
|
||||||
|
|
||||||
|
MPI task timing breakdown:
|
||||||
|
Section | min time | avg time | max time |%varavg| %total
|
||||||
|
---------------------------------------------------------------
|
||||||
|
Pair | 0.67927 | 0.70882 | 0.73473 | 2.4 | 32.17
|
||||||
|
Neigh | 0.32928 | 0.34467 | 0.36084 | 2.0 | 15.64
|
||||||
|
Comm | 0.3211 | 0.36609 | 0.40741 | 6.1 | 16.61
|
||||||
|
Output | 0.0017748 | 0.0032465 | 0.0046508 | 2.1 | 0.15
|
||||||
|
Modify | 0.71135 | 0.74424 | 0.76001 | 2.3 | 33.78
|
||||||
|
Other | | 0.03641 | | | 1.65
|
||||||
|
|
||||||
|
Nlocal: 28560 ave 29169 max 27884 min
|
||||||
|
Histogram: 1 0 0 0 0 2 0 0 0 1
|
||||||
|
Nghost: 6452.25 ave 6546 max 6368 min
|
||||||
|
Histogram: 1 0 0 0 2 0 0 0 0 1
|
||||||
|
Neighs: 40893 ave 42032 max 39445 min
|
||||||
|
Histogram: 1 0 0 0 1 0 0 1 0 1
|
||||||
|
|
||||||
|
Total # of neighbors = 163572
|
||||||
|
Ave neighs/atom = 1.4318277
|
||||||
|
Neighbor list builds = 50
|
||||||
|
Dangerous builds not checked
|
||||||
|
Total wall time: 0:00:02
|
||||||
2
src/.gitignore
vendored
2
src/.gitignore
vendored
@ -1023,6 +1023,8 @@
|
|||||||
/fix_wall_colloid.h
|
/fix_wall_colloid.h
|
||||||
/fix_wall_ees.cpp
|
/fix_wall_ees.cpp
|
||||||
/fix_wall_ees.h
|
/fix_wall_ees.h
|
||||||
|
/fix_wall_flow.cpp
|
||||||
|
/fix_wall_flow.h
|
||||||
/fix_wall_region_ees.cpp
|
/fix_wall_region_ees.cpp
|
||||||
/fix_wall_region_ees.h
|
/fix_wall_region_ees.h
|
||||||
/fix_wall_reflect_stochastic.cpp
|
/fix_wall_reflect_stochastic.cpp
|
||||||
|
|||||||
Reference in New Issue
Block a user