multisphere/break command

Submitted by Adithya Ramgopal on Thu, 07/19/2018 - 17:17

Hello everyone

I have been trying to use multisphere/break command to break the particles when it attains certain kinetic energy during its fall under the influence of gravity. I am unsuccessful in doing that.

source code : fix_multisphere_break.cpp

what does this two lines indicate in the source code

if (triggerName_ && update->ntimestep % modify->fix[triggerIdx_]->peratom_freq)
error->all(FLERR,"Fix used in fix multisphere/break not computed at compatible time");

code :

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

communicate single vel yes

#PUBLIC version only supports serial execution
#processors 2 2 2

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 0.000001

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 10 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 volumefraction_region 0.000005

#integrator for multisphere rigid bodies
#fix integr all multisphere
fix ts all check/timestep/gran 1000 0.1 0.1
fix integr all multisphere/break trigger_threshold 0.0009 trigger_timestep 1 trigger_name v_dummy
fix 1 all nve/sphere

#output settings, include total thermal energy
compute 1 all erotate/sphere
compute 2 all ke
variable dummy atom c_2
variable dummy1 equal c_2

thermo_style custom step atoms ke c_1 f_ts[1] f_ts[2] vol v_dummy1
thermo 1000
thermo_modify lost ignore norm no

run 1

#insert the first particles so that dump is not empty
dump dmp all custom/vtk 1000 post/multi_*.vtk id type mol x y z vx vy vz fx fy fz omegax omegay omegaz radius

#insert particles
run 400000 upto

Error :

INFO: Resetting random generator for region bc
INFO: Particle insertion ins: inserting every 0 steps
Memory usage per processor = 22.0856 Mbytes
Step Atoms KinEng 1 ts[1] ts[2] Volume dummy1
0 0 0 0 0 0 0.18 0
INFO: Particle insertion ins: inserted 1 particle templates (mass 8.345597e-04) at step 1
- a total of 1 particle templates (mass 8.345597e-04) inserted so far.
[*******-Predator-G3-571:06026] *** Process received signal ***
[*******-Predator-G3-571:06026] Signal: Floating point exception (8)
[*******-Predator-G3-571:06026] Signal code: Integer divide-by-zero (1)
[*******-Predator-G3-571:06026] Failing at address: 0xaa8014
[*******-Predator-G3-571:06026] [ 0] /lib/x86_64-linux-gnu/libpthread.so.0(+0x11390)[0x7f6685a6b390]
[*******-Predator-G3-571:06026] [ 1] lmp_auto[0xaa8014]
[*******-Predator-G3-571:06026] [ 2] lmp_auto[0x6df7af]
[*******-Predator-G3-571:06026] [ 3] lmp_auto[0xa6e178]
[*******-Predator-G3-571:06026] [ 4] lmp_auto[0x686e2f]
[*******-Predator-G3-571:06026] [ 5] lmp_auto[0x48ab82]
[*******-Predator-G3-571:06026] [ 6] lmp_auto[0x488483]
[*******-Predator-G3-571:06026] [ 7] lmp_auto[0x488ef7]
[*******-Predator-G3-571:06026] [ 8] lmp_auto[0x416ceb]
[*******-Predator-G3-571:06026] [ 9] /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xf0)[0x7f66856b0830]
[*******-Predator-G3-571:06026] [10] lmp_auto[0x418f99]
[*******-Predator-G3-571:06026] *** End of error message ***
--------------------------------------------------------------------------
mpirun noticed that process rank 0 with PID 6026 on node adithya-Predator-G3-571 exited on signal 8 (Floating point exception).

Note : I am able to run this code only if I comment those lines in the source code that too with single processor.
Kindly help me understand the source code and my mistake.

Thanks in advance.