Error with Replicate command for multi-sphere partciles

Submitted by zkhademian on Sat, 09/14/2024 - 14:10

I am trying to replicate a box including spheres and multi-sphere particles with periodic boundaries. When try to run the model after replicating, I get this error "ERROR on proc 0: Internal error in multi-sphere method (../multisphere.cpp:472)". Note that when I removed the multi-sphere particles from the model, the error disappeared. When I made the boundaries non periodic, the error still occurred. Here is a minimum working example:

atom_style sphere
atom_modify map array sort 0 0
boundary p p p
newton off

communicate single vel yes

processors 1 1 1

units si
# Definition of DEM domain
variable xl equal -.1#-.03
variable yl equal -.1#-.03
variable zl equal -.1#0
variable xh equal .1#.03
variable yh equal .1#.03
variable zh equal .1#.05

region reg block ${xl} ${xh} ${yl} ${yh} ${zl} ${zh} units box

create_box 2 reg

neighbor 0.1 bin
neigh_modify delay 0

#Material properties required for new pair styles

fix m1 all property/global youngsModulus peratomtype 1.e7 1.e7
fix m2 all property/global poissonsRatio peratomtype 0.45 0.45
fix m3 all property/global coefficientRestitution peratomtypepair 2 0.3 0.3 0.3 0.3
fix m4 all property/global coefficientFriction peratomtypepair 2 0.5 0.5 0.5 0.5
fix m5 all property/global characteristicVelocity scalar 2. 2. 2. 2. 2.

#New pair style
pair_style gran model hertz tangential history #Hertzian without cohesion
pair_coeff * *

timestep 0.000002

#fix gravi all gravity 0. vector 0. 0.0 0.#-1.0

#fix zwalls1 all wall/gran model hertz tangential history primitive type 1 zplane ${zl}
#fix zwalls2 all wall/gran model hertz tangential history primitive type 1 zplane ${zh}
#fix xwalls1 all wall/gran model hertz tangential history primitive type 1 xplane ${xl}
#fix xwalls2 all wall/gran model hertz tangential history primitive type 1 xplane ${xh}
#fix ywalls1 all wall/gran model hertz tangential history primitive type 1 yplane ${yl}
#fix ywalls2 all wall/gran model hertz tangential history primitive type 1 yplane ${yh}

###################################
#Define particles
group SheresGroup initialize
group MultispheresGroup initialize
fix intSphere SheresGroup nve/sphere # intSphere is fix id
fix intMulti MultispheresGroup multisphere allow_group_and_set yes
###################################
fix pts1 MultispheresGroup particletemplate/multisphere 11311 atom_type 1 density constant 3100 volume_limit 1e-30 nspheres 5 ntry 1000000 spheres 0.00152032 0.00965608 0.00267876 0.00014088 0.00172384 0.00947456 0.0026079 0.00014088 0.00156144 0.00942351 0.00283242 0.00014088 0.00175034 0.00963244 0.00283976 0.00014088 0.00186326 0.00952214 0.00307315 0.00014088 type 1

fix pts2 SheresGroup particletemplate/sphere 11317 atom_type 2 density constant 2500 volume_limit 1e-30 radius constant 5.24482e-05
###################################
fix pdd1 all particledistribution/discrete/numberbased 13619 2 pts1 1 pts2 1
###################################
region bc block -.1 .1 -.1 .1 -.1 .1 units box
###################################
fix ins all insert/pack seed 32452843 distributiontemplate pdd1 vel constant 0. 0. 0. &
insert_every once overlapcheck yes region bc ntry_mc 10000 particles_in_region 500#volumefraction_region 0.00000000004#
###################################
#output settings, include total thermal energy
compute 1 all erotate/sphere
fix ts all check/timestep/gran 1000 0.001 0.1

run 1
dump dmp all custom/vtk 200 post2/multi_*.vtk id type x y z vx vy vz fx fy fz omegax omegay omegaz radius

replicate 2 2 1 offset .4 .4 .4 shift 0. 0. 0.

run 10000

zkhademian | Mon, 09/23/2024 - 01:38

I tried to manually replicate clumps using create_atoms command and molecular atom_style. However, I have difficulty finding a pair_style for the clumps (molecules) close to a frictional contact model. Any hints for me?