Excuse me, I have a problem in this program lammps which study the structure of SiO2, but when I ran it, I found this message “ERROR: Lost atoms: original 3240 current 3167 (…/thermo.cpp:392)”
, please you help me
#Start of input script------
units metal
newton on
atom_style charge
dimension 3
boundary p p p
lattice custom 5.4054 origin 0.25 0.25 0.25 &
a1 0.90950000 0.00000000 .00000000 &
a2 0.00000000 0.78760000 .00000000 &
a3 .00000000 .00000000 1.00000000 &
basis 0.46990000 0.00000000 0.66666667 &
basis 0.00000000 0.46990000 0.33333333 &
basis 0.53010000 0.53010000 0.00000000 &
basis 0.41410000 0.26810000 0.78540000 &
basis 0.73190000 0.14600000 0.45206667 &
basis 0.85390000 0.58589999 0.11873333 &
basis 0.26810000 0.41410000 0.21460000 &
basis 0.58589999 0.85399999 0.88127777 &
basis 0.14600000 0.73190000 0.54793333
#region box prism 0 10 0 10 0 10 -0.4547 0 0
region simRegion block -12 12 -3 3 -3 3
region mdRegion block -5 5 -3 3 -3 3
create_box 2 mdRegion
create_atoms 1 region mdRegion &
basis 1 1 &
basis 2 1 &
basis 3 1 &
basis 4 2 &
basis 5 2 &
basis 6 2 &
basis 7 2 &
basis 8 2 &
basis 9 2
mass 1 28.09
mass 2 16.0
region mdInternal block -4 4 -3 3 -3 3
group internal region mdInternal
group ghost subtract all internal
pair_style lj/cut 2.5
pair_coeff * * 1.0 1.0 2.5
pair_coeff 1 2 1.0 2.0 3.5
pair_coeff 2 2 1.0 3.0 4.0
neighbor 0.3 bin
neigh_modify every 20 delay 0 check no
#thermo_style custom temp enthalpy
minimize 1.0e-4 1.0e-6 100 1000
fix 1 all nve
dump id all atom 50 dump.melt
dump 2 all image 25 image.*.jpg type type &
axes yes 0.8 0.02 view 60 -30
dump_modify 2 pad 3
#dump 3 all movie 25 movie.mpg type type &
axes yes 0.8 0.02 view 60 -30
#dump_modify 3 pad 3
thermo 50
run 250