Restart heat transfer simulation

Hi all,

I am trying to restart a heat transfer simulation. I failed and thus I created a smaller problem, where I have the same problem, using the example heatTransfer_2. Please find two input scripts for liggghts below: in.heatTransfer and in.restart. in.heatTransfer writes a restart file after it is done integrating and then in.restart reads the restart file. Visualizing the output with paraview showed that the temperature is not read from the restart file.

Could you tell me, what I am doing wrong?

It seems like the class FixHeatGran does not have restart functionality. Is it possible that no information about temperature is written to the restart file? I noticed that the temperature is registered as per-atom-property. If that fix does the restart stuff, it is probably overridden by the constructor of FixHeatGran and init().

Please find my input files below.

Best regards,
Moritz

######################################################
# in.heatGran:
#Heat transfer example

atom_style granular
atom_modify map array
boundary m m m
newton off

communicate single vel yes

units si

region reg block -0.05 0.05 -0.05 0.05 0. 0.15 units box
create_box 1 reg

neighbor 0.002 bin
neigh_modify delay 0

#Material properties required for new pair styles

fix m1 all property/global youngsModulus peratomtype 5.e6
fix m2 all property/global poissonsRatio peratomtype 0.45
fix m3 all property/global coefficientRestitution peratomtypepair 1 0.95
fix m4 all property/global coefficientFriction peratomtypepair 1 0.05
#fix m5 all property/global characteristicVelocity scalar 2.

#New pair style
pair_style gran/hertz/history 1 0 #hertz hooke Hertzian without cohesion
pair_coeff * *

timestep 0.000025

fix gravi all gravity 9.81 vector 0.0 0.0 -1.0

fix zwalls all wall/gran/hertz/history 1 0 zplane 0.0 0.15 1
fix cylwalls all wall/gran/hertz/history 1 0 zcylinder 0.05 1

#heat transfer
fix ftco all property/global thermalConductivity peratomtype 5.
fix ftca all property/global thermalCapacity peratomtype 10.
fix heattransfer all heat/gran 300.

#region and insertion
region bc cylinder z 0. 0. 0.045 0.14 0.145 units box
group nve_group region reg
fix ins nve_group pour/legacy 500 1 1 vol 0.7 1000 diam 0.008 0.008 dens 8000 8000 vel 0. 0. 0. 0. -0.3 region bc

#apply nve integration to all particles that are inserted as single particles
fix integr nve_group nve/sphere

#output settings, include total thermal energy
compute 1 all erotate/sphere
thermo_style custom step atoms ke c_1 f_heattransfer vol
thermo 1000
thermo_modify lost ignore norm no
compute_modify thermo_temp dynamic yes

#insert the first particles so that dump is not empty
run 1
dump dmp all custom 800 post/dump.* id type type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius f_heattransfer[0] f_heatSource[0]

#run more timesteps to insert large particles
run 10000 upto
unfix ins

#let the particles settle
run 20000 upto

#set heat sources for distint particles
region pos_source block 0.03 INF INF INF INF INF units box
region neg_source block INF -0.03 INF INF INF INF units box

set region pos_source property/peratom heatSource 0.5
set region neg_source property/peratom heatSource -0.5

#run to see heat transfer
run 50000 upto
write_restart restartFile

######################################################
# in.restart
#Heat transfer example

atom_style granular
atom_modify map array
boundary m m m
newton off

communicate single vel yes

units si

read_restart restartFile

#Material properties required for new pair styles

fix m1 all property/global youngsModulus peratomtype 5.e6
fix m2 all property/global poissonsRatio peratomtype 0.45
fix m3 all property/global coefficientRestitution peratomtypepair 1 0.95
fix m4 all property/global coefficientFriction peratomtypepair 1 0.05
fix ftco all property/global thermalConductivity peratomtype 5.
fix ftca all property/global thermalCapacity peratomtype 10.

#New pair style
pair_style gran/hertz/history 1 0 #hertz hooke Hertzian without cohesion
pair_coeff * *

timestep 0.000025

fix gravi all gravity 9.81 vector 0.0 0.0 -1.0
fix heattransfer all heat/gran 200

thermo_style custom step atoms ke f_heattransfer
thermo 1000
thermo_modify lost ignore norm no
compute_modify thermo_temp dynamic yes

dump dmp all custom 800 post/dump.* id type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius f_heattransfer[0]

run 70000 upto