Regarding Fix ave/time not working in LIGGGHTS

Submitted by krishnarajkp on Tue, 03/05/2013 - 13:26

Hi Christoph,

Thank you very much for your reply, Sir i found that once i generate restart file for my cylindrical couette flow simulation after 10000000 timesteps ,

i ran this restart code ,

#------------------------------------------------------------

atom_style sphere
newton off
communicate single vel yes
atom_modify map array

#-------------------------------------------------------------

timestep 0.0000002
read_restart data.10000000

#-------------------------------------------------------------

neighbor ${neigh} bin
neigh_modify every 1 delay 0

#----------------------------------------------------------------

fix vkn all property/global kn peratomtypepair 1 ${p_kn}
fix vkt all property/global kt peratomtypepair 1 ${p_kt}
fix vgn all property/global gamman peratomtypepair 1 ${p_gamma_n}
fix vgt all property/global gammat peratomtypepair 1 ${p_gamma_t}
fix fric all property/global coefficientFriction peratomtypepair 1 0.5
fix rfric all property/global coefficientRollingFriction peratomtypepair 1 0.5

#-------------------------------------------------------------

pair_style gran/hertz/history/stiffness rolling_friction cdt tangential_damping on
pair_coeff * *

#-------------------------------------------------------------

fix inncyl all wall/gran/hertz/history/stiffness primitive type 1 zcylinder 0.06 0.0 0.0 shear y -0.00628 rolling_friction cdt tangential_damping on
fix outcyl all wall/gran/hertz/history/stiffness primitive type 1 zcylinder 0.075 0.0 0.0 rolling_friction cdt tangential_damping on
fix zwall all wall/gran/hertz/history/stiffness primitive type 1 zplane 0.0 rolling_friction cdt tangential_damping on

#----------------------------------------------------------------

fix gravi all gravity 9.81 vector 0 0 -1
fix nveint all nve/sphere

#----------------------------------------------------------------

run 1000000

#----------------------------------------------------------------

it works fine but as i

1. divide the simulation region into small regions and try to reduce the per atom variable using the

2. compute reduce/region to a scalar variable for each specific region.

3. average over timesteps using fix ave/time

A - then code stops running with out any error messages.

B - but i also found that above works fine if my restart file was generated after 5000 time steps. (but not for 10000000 steps)

C - Also the same Fix ave/time works fine when i begin the simulation a new. ( hence i think system hardware capability is not an issue or the code has no errors)

sir my number of atoms is = 322511 ( is this number large or ?) . i cant understand whats happening. So i request you to take a look into it.

thanks for your valuable time.

regards
krishnarajkp