Atoms sorting bins

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1

Hi Lammps Users,

I have this problem. I’m trying to run a simulation a I received this error message:

ERROR: Atom sorting has bin size = 0.0

So I tried to turn off the sort using atom_modify but I received this error:

ERROR: Illegal atom_modify command

I really don’t understand why this happens. My input file is this one:
dimension 3
boundary p p p
units real

lattice fcc 5.2

region 1 cylinder x 0.0 0.0 5 0 50 side in
region 3 block -150.0 150.0 -150.0 150.0 -150.0 150.0

atom_style atomic
atom_modify sort 0

create_box 1 3

mass 1 196.97
create_atoms 1 region 1

group particle region 1

fix particle particle rigid single

compute MSD particle msd com yes

fix 2 all temp/rescale 1 0 300 0.05 1.0

thermo 1
thermo_style multi

thermo_style custom step pe ke etotal temp c_MSD[4]

dump simulation all xyz 1000 ./simulationdump.xyz
timestep 1.0

run 100

2

Hi Lammps Users,

I have this problem. I'm trying to run a simulation a I received this error
message:

ERROR: Atom sorting has bin size = 0.0

and rightfully so. there is no communication cutoff defined since
there is no pair style defined or anything that determines the
communication cutoff, which in turn is required for the binning. hence
the bin size error.

you cannot blame LAMMPS to be confused when you feed it meaningless input.

So I tried to turn off the sort using atom_modify but I received this error:

ERROR: Illegal atom_modify command

I really don't understand why this happens. My input file is this one:

this error happens because, your atom_modify command is wrong.
atom_modify sort takes *two* numbers as argument. the frequency as
integer and the bin size.
you only provide one.

again, LAMMPS is telling you the right thing.

axel.