lost atoms error

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1

Hi
it's seems a bug, lammps 13 dec.

i have lost atoms error at initial state with:
region box block -5 5 -250 50 -5 5

and normal with:
region box block -5 5 -50 50 -5 5

^^^^^^^^^^
units metal
boundary s s s
atom_style atomic
lattice fcc 3.51
region box block -5 5 -50 50 -5 5
create_box 3 box
lattice fcc 3.51
region u cylinder y 0 0 5 5 50
create_atoms 1 region u
lattice fcc 3.51
region t cylinder y 0 0 5 -50 -5
create_atoms 2 region t

pair_style eam/alloy
pair_coeff * * FeWCu.set Fe Fe Fe

group u region u
group t region t
timestep 0.001
fix 1 all nve
dump 1 all atom 1 dump.lammpstrj
thermo 100
run 10000

2

Hi
it's seems a bug, lammps 13 dec.

i have lost atoms error at initial state with:
region box block -5 5 -250 50 -5 5

and normal with:
region box block -5 5 -50 50 -5 5

^^^^^^^^^^

It is not a bug, but an inadequate use of shrink-wrap boundaries. Your
initial box is too large. It will shrink to the same box in any case,
but with the larger box shrink, domains change too much. Either use m
boundaries or use an initial box that is similar to the shrink-wrapped
one.

Axel