I am starting out with LIGGGHTS and would appreciate if anyone could take time to review the code that I have written for simulation. There is no error with it. The simulation has been running for last 14 hours and is on 61000 step as of now. I was just wondering if this is efficient way of doing it or it could be made better?
Thanks
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# Wall import from CAD
atom_style granular
boundary m m m
newton off
atom_modify sort 0 0
communicate single vel yes
units si
region reg block -0.15 0.15 -0.15 0.15 -0.1 0.5 units box
region insertionZone cylinder z 0 0 0.10 0.35 0.5 units box
create_box 2 reg
#read_restart restart.e2quil
neighbor 43e-4 bin
neigh_modify delay 0 page 500000 binsize 1
#Material properties required for new pair styles
fix m1 all property/global youngsModulus peratomtype 5.e7 5.e7
fix m2 all property/global poissonsRatio peratomtype 0.45 0.45
fix m3 all property/global coefficientRestitution peratomtypepair 2 0.5 0.5 0.5 0.5
fix m4 all property/global coefficientFriction peratomtypepair 2 0.2 0.175 0.175 0.5
fix m5 all property/global characteristicVelocity scalar 2. 2.
#New pair style
pair_style gran model hertz tangential history
pair_coeff * *
timestep 2.5e-6
fix 1 all nve/sphere
fix 2 all gravity 9.81 vector 0.0 0.0 -1.0
fix ts_check all check/timestep/gran 1000 0.1 0.1
#import hopper
fix cad all mesh/surface file hopper.stl type 1 scale 0.001
# Create a Stopper
fix stopper all wall/gran model hertz tangential history primitive type 2 zplane 0.0
#use the imported mesh as granular wall
fix meshwalls all wall/gran model hertz tangential history mesh n_meshes 1 meshes cad
#use the walls to fix
fix z1walls all wall/gran model hertz tangential history primitive type 1 zplane 0.5
fix zwalls2 all wall/gran model hertz tangential history primitive type 1 zplane -0.1
fix zwalls3 all wall/gran model hertz tangential history primitive type 1 xplane 0.15
fix zwalls4 all wall/gran model hertz tangential history primitive type 1 xplane -0.15
fix zwalls5 all wall/gran model hertz tangential history primitive type 1 yplane 0.15
fix zwalls6 all wall/gran model hertz tangential history primitive type 1 yplane -0.15
#distributions for insertion
fix mcc all particletemplate/sphere 1 atom_type 1 density constant 1440 radius constant 42e-5 volume_limit 1e-20
fix lac all particletemplate/sphere 1 atom_type 1 density constant 650 radius constant 203e-5 volume_limit 1e-20
fix pdd1 all particledistribution/discrete 1. 1 lac 1
fix pdd2 all particledistribution/discrete 1. 1 mcc 1
fix ts_check all check/timestep/gran 1000 0.1 0.1
group nve_group region reg
#particle insertion
#fix ins1 all insert/pack seed 100001 distributiontemplate pdd1 vel constant 0. 0. -4.8 &
insert_every 15 overlapcheck yes all_in no particles_in_region 15 region reg2
fix ins1 all insert/rate/region seed 1001 distributiontemplate pdd1 vel constant 0. 0. -4.8 mass 0.850 massrate 10 &
insert_every 2000 overlapcheck yes region insertionZone ntry_mc 10000
fix ts all check/timestep/gran 100 0.0001 0.0001
compute 1 all erotate/sphere
thermo_style custom step atoms ke c_1 f_ts[1] f_ts[2] vol
thermo 1000
thermo_modify lost ignore norm no
compute_modify thermo_temp dynamic yes
#dump commands
dump dmp all custom 300 post/dump*.meshGran id type type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius
dump dmpstl all mesh/stl 300 post/dump*.stl
#fix ts_check all check/timestep/gran 1000 0.1 0.1
#insert particles
run 30000 upto
unfix ins1
#run 28000 upto
run 35000 upto
fix ins2 all insert/rate/region seed 1001 distributiontemplate pdd2 vel constant 0. 0. -4.8 mass 0.150 massrate 10 &
insert_every 1000 overlapcheck yes region insertionZone ntry_mc 10000
run 40000 upto
write_restart restart.e3quil
unfix ins2
run 50000 upto
write_restart restart.e4quil
fix ins3 all insert/rate/region seed 1001 distributiontemplate pdd1 vel constant 0. 0. -4.8 mass 0.100 massrate 10 &
insert_every 1000 overlapcheck yes region insertionZone ntry_mc 10000
run 55000 upto
unfix ins3
run 65000 upto
write_restart restart.e5quil
unfix stopper
run 100000 upto
write_restart restart.e6.quil
JoshuaP | Wed, 06/10/2015 - 16:08
how many particle does it
how many particle does it count? maybe try mpirun
Siddharth K | Wed, 06/10/2015 - 16:29
For the first insertion the
For the first insertion the number of atoms is 15256 particles (mass 0.849991) within 32000 steps, for the second one its around 5000 particles (0.100 g). I am not sure how to use mpirun command. Do you think it can be made faster.