Hello,i ran an simulation of nanoindentation.I used the command of displace_atoms for indentaion while it ran indentation and relaxation in cycle, but it produce these errors that the force of indenter isn’t steady and the basement is broken when indentation is begin . Can you give some advices for the problem ,thanks.
#Lammps Graphene Test
boundary s s s
units metal
atom_style atomic
neighbor 2.0 bin
neigh_modify delay 1
########################### create geometry ############################
read_data data.DiaGra
lattice diamond 3.56
region 3 cylinder x 98 12 8 -5 200 side in units box
create_atoms 2 region 3 units box
group upper region 3
region 4 block INF 12 INF INF INF INF units box
group right region 4
region 5 block 161 INF INF INF INF INF units box
group left region 5
group boundary union left right
group mobile subtract all boundary upper
group plus union mobile boundary
#potentials
pair_style hybrid tersoff lj/cut 2.5
#pair_style hybrid tersoff airebo 3.0 1 0 lj/cut 2.5
#pair_coeff 1 1 SiC.tersoff C
#pair_coeff 2 2 SiC.tersoff C
pair_coeff * * tersoff SiC.tersoff C C
#pair_coeff 2 2 CH.airebo C C
pair_coeff 1 2 lj/cut 1.0 2.5
compute 1 upper displace/atom
compute 2 upper reduce ave c_1[3]
variable avedisplace equal c_2
#compute 3 upper group/group mobile
#variable zforce equal c_3[3]
#compute 3 upper stress/atom
#compute 4 upper reduce sum c_3[3]
#variable zforce equal c_4
compute 3 all property/atom fz
compute 5 upper reduce sum c_3
variable zforce equal c_5
thermo_style custom step temp press v_avedisplace v_zforce etotal pe ke vol lx ly pxx pyy pzz
thermo 100
timestep 0.001
min_style sd
minimize 1.0e-12 1.0e-12 1000 1000
velocity all create 0.01 24804 dist gaussian units box
fix init all nvt temp 0.1 0.1 0.1
fix upper set force 0.0 0.0 0.0
dump 1 all atom 100 dump.init.lammpstrj
run 30000
undump 1
fix 4 boundary setforce 0 0 0
variable i loop 60
label loop
displace_atoms upper move 0 0 -1 units box
dump 2 all atom 100 dump.down$i.lammpstrj
run 5000
fix init all nvt temp 0.1 0.1 0.1
run 5000
undump 2
next i
jump in.graphene loop