Hi,
Does any body have experience about using Create_bonds in granular simulations?
It seems there is an issue with this command in granular since every time using, the program suddenly crashes.
Here is the simple script to duplicate this error:
simple create_bonds example of error with granular
dimension 3
units si
atom_style hybrid sphere molecular
atom_modify map array
boundary f f f
newton off
comm_modify mode single
comm_modify vel yes
region reg block 0 0.1 0 0.1 0 0.1 units box
create_box 1 reg bond/types 1 extra/bond/per/atom 12 extra/special/per/atom 12
mass * 0.001
lattice fcc 0.01
region fcc block 0.04 0.06 0.04 0.06 0.01 0.03 units box
create_atoms 1 region fcc
set type 1 diameter 0.01
pair_style gran/hertz/history 1.10e6 NULL 50.0 NULL 0.5 1
pair_coeff * *
bond_style harmonic
bond_coeff 1 1.0e6 0.01
neighbor 0.1 bin
neigh_modify delay 0
create_bonds all all 1 0.01 0.01001
run 0
Hi,
Does any body have experience about using Create_bonds in granular
simulations?
It seems there is an issue with this command in granular since every time
using, the program suddenly crashes.
Here is the simple script to duplicate this error:
i have no problem running this input with LAMMPS 21 Feb 2017.
some comments:
- are you aware of exclusions in force fields? the default settings in
LAMMPS are for typical molecular force fields, and may not be what you
want. please check out the special_bonds documentation and read up in an MD
text book.
- your bin size is huge for your choice of units. please note the warning
that LAMMPS is giving about this. this needs to be taken seriously.
- you need to watch out for the communication cutoff, so that all bonded
items are within the ghost atoms section. since granular pair styles have
extremely short cutoffs, you may need to adjust the communication cutoff,
so that you don't lose bonds.
axel.