Respected Sir,
I am using this program .So,the problem is it shows the following error
Lost atoms: original 26449 current 26424 (thermo.cpp:389).Can anybody tell me what is the problem in the command.
units metal
boundary p s s
atom_style full
neighbor 2.0 bin
neigh_modify delay 5
create geometry
lattice fcc 4.090
region box prism 0 60 0 10 -5 5 1 0 0
create_box 3 box
create_atoms 1 box
mass 1 107.87
mass 2 107.87
mass 3 107.87
define groups
region 1 prism 0 10 0 10 -5 5 1 0 0
group lower region 1
region 2 prism 10 50 0 10 -5 5 1 0 0
group upper region 2
region 3 prism 50 60 0 10 -5 5 1 0 0
group middle region 3
region ind union 3 1 2 3
pair_style eam
pair_coeff * * Ag_u3.eam
change_box all xy final -6.15 z final 0.0 1.0 boundary p s s remap units box
initial velocities
compute pa all displace/atom
compute pp all reduce sum c_pa[1] c_pa[2] c_pa[3]
variable vv equal (c_pp[1]+c_pp[2]+c_pp[3])/3
compute pa1 all stress/atom
compute pp1 all reduce sum c_pa1[1] c_pa1[2] c_pa1[3]
variable vv1 equal (c_pp1[1])+c_pp1[2]+c_pp1[3]/(vol)
compute peratom all pe/atom
compute pe all reduce sum c_peratom
variable delta equal vol/(ly*lz)
variable strainn equal (v_delta-245.64295)/245.64295
fixes
fix ind all nve
fix 2 middle temp/rescale 500 0 100 100 0.5
run 100
unfix 2
run
timestep 0.003
thermo 2000
#thermo_modify temp new
thermo_style custom step press vol lx ly lz v_delta v_strainn v_vv v_vv1 c_pe temp
dump 1 all atom 1000 dump.crack1
dump 2 all image 1000 image1..cfg type type zoom 1.6 adiam 1.5
dump snap all cfg 1000 dump.config..cfg id type xs ys zs
dump_modify 2 acolor 2 green
run 25000
Regards,
Ritesh Satwani