[lammps-users] ERROR: Illegal communicate command


This is the example for compute heat/flux command in the lammps manual.

---------------------------------------------------
atom_style atomic
units real
dimension 3
boundary p p p
lattice fcc 5.376 orient x 1 0 0 orient y 0 1 0 orient z 0 0 1
region box block 0 4 0 4 0 4
create_box 1 box
create_atoms 1 box
mass 1 39.948
pair_style lj/cut 13.0
pair_coeff * * 0.2381 3.405
group every region box
velocity all create 70 102486 mom yes rot yes dist gaussian
timestep 4.0
thermo 10

# Equilibration and thermalisation
fix NPT all npt 70 70 10 xyz 0.0 0.0 100.0 drag 0.2
run 8000
unfix NPT

# Equilibration in nve
fix NVE all nve
run 8000

# Flux calculation in nve
reset_timestep 0
communicate single vel yes # Orerror: Compute heat/flux requires ghost atoms store velocity
compute myPE all pe/atom pair
compute flux all heat/flux myPE
log flux.log
variable J equal c_flux[1]/vol
thermo_style custom step temp v_J
run 100000
---------------------------------------------------

The error message is

communicate single vel yes
------------------------------
ERROR: Illegal communicate command

|

you seem to have found a PEBCAC error.

please make sure that you look at documentation that is
consistent with your LAMMPS binary.

cheers,
    axel.

Are you using the most current version of LAMMPS?

Steve