Hi
I have tried simulating particle breakage (a clump in this case) based on a previous discussion available on the forum. Following is the my MWE and the error message.
atom_style sphere
atom_modify map array sort 0 0
boundary m m m
newton off
communicate single vel yes
#PUBLIC version only supports serial execution
processors 1 1 1
units si
region reg block -0.3 0.3 -0.3 0.3 0. 0.5 units box
create_box 1 reg
neighbor 0.004 bin
neigh_modify delay 0
#Material properties required for new pair styles
fix m1 all property/global youngsModulus peratomtype 1.e7
fix m2 all property/global poissonsRatio peratomtype 0.45
fix m3 all property/global coefficientRestitution peratomtypepair 1 0.3
fix m4 all property/global coefficientFriction peratomtypepair 1 0.5
fix m5 all property/global characteristicVelocity scalar 2.
#New pair style
pair_style gran model hertz tangential history #Hertzian without cohesion
pair_coeff * *
timestep 0.00001
fix gravi all gravity 9.81 vector 0.0 0.0 -1.0
fix zwalls all wall/gran model hertz tangential history primitive type 1 zplane 0.0
#distributions for insertion
fix pts1 all particletemplate/multisphere 15485863 atom_type 1 density constant 2500 nspheres 50 ntry 1000000 spheres file data/stone1.multisphere scale 0.001 type 1
fix pdd1 all particledistribution/discrete 15485867 1 pts1 1.0
#region and insertion
region bc cylinder z 0.0 0.0 0.25 0.1 0.4 units box
fix ins all insert/pack seed 32452843 distributiontemplate pdd1 vel constant 0. 0. -1. &
insert_every once overlapcheck yes region bc ntry_mc 10000 particles_in_region 1 #volumefraction_region 0.0004
#integrator for multisphere rigid bodies
#fix integr all multisphere
#output settings, include total thermal energy
compute 1 all erotate/sphere
fix ts all check/timestep/gran 1000 0.1 0.1
thermo_style custom step atoms ke c_1 f_ts[1] f_ts[2] vol
thermo 1000
thermo_modify lost ignore norm no
compute force all property/atom fx fy fz
compute q all reduce sum c_force[1] c_force[2] c_force[3]
variable ffx equal c_q[1]
variable ffy equal c_q[2]
variable ffz equal c_q[3]
variable avg atom sqrt(ffx^2+ffy^2+ffz^2)
fix integrMS all multisphere/break allow_group_and_set yes trigger_threshold 1.0 trigger_timeStep 0 trigger_name v_avg
#insert the first particles so that dump is not empty
dump dmp all custom/vtk 200 post/multi_*.vtk id type mol x y z vx vy vz fx fy fz omegax omegay omegaz radius
#insert particles
run 40000 upto
Error message: Fix used in fix multisphere/break not computed at compatible time (../fix_multisphere_break.cpp:314)