Warning of lack of fix/property value for Temp

Hi guys,

I am doing the simulation of shear box test, I split the simulation into packing (based on the packing example)and shearing.

As a trial run, about 200 particles are inserted and it works just fine for the packing part. But in the shearing part,
I used the:
1. fix rigid command to create a rigid body to push the particles contained in the "upperbox and lowerbox"
2. fix move/mesh/gran to move the lower box to do the shearing.
However, just when I added force on the rigid body to push the particles, system stopped and printed:
ERROR: Could not locate a fix/property storing value(s) for Temp
I am not quite sure what that means since I never defined a fix with Temp value, I only defined fix/property for the Hooke contact pair_style, that's all.

Here is my log of liggghts' output and attached input script.
Please help detect my problem, thanks in advance!!
LIGGGHTS 1.5.1 based on lammps-10Mar10
# v_0_2 3D simulation of Direct Shear Box Test

# By Anson Liang, lzefeng@gmail.com Feb 29, 2012

units si

boundary m m m

processors 1 1 1

atom_style granular

atom_modify map array

newton off

communicate single vel yes

region bigbox block -1.0 2.0 -1.0 2.0 -1.0 2.0 units box

create_box 4 bigbox

Created orthogonal box = (-1 -1 -1) to (2 2 2)
1 by 1 by 1 processor grid
timestep 0.000001

lattice custom 0.005 a1 1.0 0.0 0.0 a2 0.0 1.0 0.0 a3 0.0 0.0 1.0 basis 0.5 0.0 0.5

Lattice spacing in x,y,z = 0.005 0.005 0.005
region rigid block 0.0 0.05 0.032 0.04 0.0 0.02 units box

create_atoms 1 region rigid units box

Created 80 atoms
group rigidcover region rigid

80 atoms in group rigidcover
set atom 1 diameter 0.004

1 settings made for diameter

neighbor 0.003 bin

neigh_modify delay 0

#=====Define simulation space and the upper lower boxes======

region upper block 0.0 0.05 0.0 0.03 0.0 0.02 units box

region lower block 0.0 0.05 -0.03 0.0 0.0 0.02 units box

group upper region upper

0 atoms in group upper
group lower region lower

0 atoms in group lower
group total union upper lower

0 atoms in group total

#=====no cohesion in this case======

fix normal all property/global kn peratomtypepair 2 0 8.0e5 8.0e5 5.0e5

fix tangent all property/global kt peratomtypepair 2 0 0 0 1.5e4

fix damping_n all property/global gamman_abs peratomtypepair 2 0 0 0 5.56e-2

fix damping_t all property/global gammat_abs peratomtypepair 2 0 0 0 0.99e-2

fix coeff_friction all property/global coefficientFriction peratomtypepair 2 0 0 0 0.3

pair_style gran/hooke/history/stiffness 1 0

pair_coeff * *

#======================random packing====================================

#*******set up walls to bound particles when packing *********

fix lowerbox all mesh/gran lower.stl 1 0.001 0.0 0.0 0.0 0.0 0.0 0.0

fix upperbox all mesh/gran uppernew.stl 1 0.001 0.0 0.0 0.0 0.0 0.0 0.0

fix cover all mesh/gran cover.stl 1 0.001 0.0 0.0 0.0 0.0 0.0 0.0

fix containerbox all wall/gran/hooke/history/stiffness 1 0 mesh/gran 3 lowerbox upperbox cover

#distributions for insertion

fix pts1 all particletemplate/sphere 1 atom_type 2 density constant 2000 radius constant 0.003

fix pdd1 all particledistribution/discrete 1.0 1 pts1 1.0

#parameters for gradually growing particle diameter

variable alphastart equal 0.6

variable alphatarget equal 0.8

variable growts equal 8000

variable growevery equal 40

variable relaxts equal 3000

#region and insertion

fix insert_particles_upper all pour/dev/packing 75 distributiontemplate pdd1 vol ${alphastart} 700 region upper

fix insert_particles_upper all pour/dev/packing 75 distributiontemplate pdd1 vol 0.6 700 region upper

Particle packing insertion: trying 159.154943 particles once
fix insert_particles_lower all pour/dev/packing 84 distributiontemplate pdd1 vol ${alphastart} 700 region lower

fix insert_particles_lower all pour/dev/packing 84 distributiontemplate pdd1 vol 0.6 700 region lower

Particle packing insertion: trying 159.154943 particles once

#apply NVE integration to all particles that are inserted as single particles

fix NVE_integration total nve/sphere

#output settings, include total thermal energy

compute 1 all erotate/sphere

thermo_style custom step atoms ke c_1 vol temp

thermo 1000

thermo_modify lost ignore norm no

compute_modify thermo_temp dynamic yes

#insert the first particles

run 1

Memory usage per processor = 12.3427 Mbytes
Step Atoms KinEng 1 Volume Temp
0 80 0 0 27 0
WARNING: Less insertions than requested, the particle size distribution you wish may not be pictured
WARNING: Less insertions than requested, the particle size distribution you wish may not be pictured
INFO: more than 15 touching neighbor atoms found, growing contact history.
INFO: more than 30 touching neighbor atoms found, growing contact history.
INFO: more than 45 touching neighbor atoms found, growing contact history.
INFO: more than 60 touching neighbor atoms found, growing contact history.
INFO: more than 75 touching neighbor atoms found, growing contact history.
INFO: Maxmimum number of particle-tri neighbors >10 at step 1, growing array...done!
INFO: Maxmimum number of particle-tri neighbors >20 at step 1, growing array...done!
INFO: Maxmimum number of particle-tri neighbors >30 at step 1, growing array...done!
INFO: Maxmimum number of particle-tri neighbors >40 at step 1, growing array...done!
WARNING: Dangerous build in triangle neighbor list.
WARNING: Dangerous build in triangle neighbor list.
INFO: Maxmimum number of particle-tri contacts >6 at step 1, growing array
1 80 0 0 27 0
Loop time of 0.057133 on 1 procs for 1 steps with 80 atoms

Pair time (%) = 0.000446796 (0.782029)
Neigh time (%) = 0.000233173 (0.408124)
Comm time (%) = 2.86102e-06 (0.00500766)
Outpt time (%) = 4.69685e-05 (0.082209)
Other time (%) = 0.0564032 (98.7226)

Nlocal: 80 ave 80 max 80 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 3160 ave 3160 max 3160 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 3160
Ave neighs/atom = 39.5
Neighbor list builds = 1
Dangerous builds = 0
dump dmp all custom 350 Testv2_10/dump.test_v_2_10 id type type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius

#dump dmp_wall all stl 2000 Testv2_10/wall-*.stl

unfix insert_particles_lower

unfix insert_particles_upper

#calculate grow rate

variable Rgrowrate equal (${alphatarget}/${alphastart})^(${growevery}/(3.*${growts}))

variable Rgrowrate equal (0.8/${alphastart})^(${growevery}/(3.*${growts}))

variable Rgrowrate equal (0.8/0.6)^(${growevery}/(3.*${growts}))

variable Rgrowrate equal (0.8/0.6)^(40/(3.*${growts}))

variable Rgrowrate equal (0.8/0.6)^(40/(3.*8000))

print "The radius grow rate is ${Rgrowrate}"

The radius grow rate is 1.000479585

#do the diameter grow

compute radius all property/atom radius

variable d_grown atom ${Rgrowrate}*2.0*c_radius

variable d_grown atom 1.000479585*2.0*c_radius

fix grow all adapt ${growevery} atom diameter d_grown

fix grow all adapt 40 atom diameter d_grown

neigh_modify every ${growevery} check no

neigh_modify every 40 check no

#run

run ${growts}

run 8000

Memory usage per processor = 38.626 Mbytes
Step Atoms KinEng 1 Volume Temp
1 80 0 0 27 0
1000 80 0 0 27 0
2000 80 0 0 27 0
3000 80 0 0 27 0
4000 80 0 0 27 0
5000 80 0 0 27 0
6000 80 0 0 27 0
7000 80 0 0 27 0
8000 80 0 0 27 0
8001 80 0 0 27 0
Loop time of 8.48034 on 1 procs for 8000 steps with 80 atoms

Pair time (%) = 3.41542 (40.2746)
Neigh time (%) = 0.0455043 (0.536586)
Comm time (%) = 0.00056529 (0.00666589)
Outpt time (%) = 0.00745749 (0.0879386)
Other time (%) = 5.01139 (59.0942)

Nlocal: 80 ave 80 max 80 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 3160 ave 3160 max 3160 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 3160
Ave neighs/atom = 39.5
Neighbor list builds = 200
Dangerous builds = 0

#let the packing relax

unfix grow

neigh_modify check yes

restart 10000 Testv2_10/restart.*.

run ${relaxts}

run 3000

Memory usage per processor = 39.0572 Mbytes
Step Atoms KinEng 1 Volume Temp
8001 80 0 0 27 0
9000 80 0 0 27 0
10000 80 0 0 27 0
11000 80 0 0 27 0
11001 80 0 0 27 0
Loop time of 3.10698 on 1 procs for 3000 steps with 80 atoms

Pair time (%) = 1.28785 (41.4502)
Neigh time (%) = 0.000457764 (0.0147334)
Comm time (%) = 0.00013423 (0.00432026)
Outpt time (%) = 0.00357509 (0.115066)
Other time (%) = 1.81496 (58.4157)

Nlocal: 80 ave 80 max 80 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 3160 ave 3160 max 3160 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 3160
Ave neighs/atom = 39.5
Neighbor list builds = 2
Dangerous builds = 0
#=======================End of packing================================
#=======================Now start the shearing=========================
unfix cover

#=======add normal force onto the upper box=======
fix setrigid rigidcover rigid single force 1 off on off torque 1 off off off
1 rigid bodies with 80 atoms
#fix force rigidcover addforce 0.0 -20 0.0
I tried to delete this command as I suspect it's problematic but the error persists...

dump newdmp all custom 350 Testv2_10/dump.test_v_2_10_shearing id type type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius

run 8000
ERROR: Could not locate a fix/property storing value(s) for Temp