[lammps-users] illegal communicate command

Dear All

I am trying to calculate heat flux in my silver/argon system, but I got an error “illegal communicate command”. I don’t know why. Below is my input file. Can anybody help me?

units metal
boundary f p p
atom_style full

read_restart 110-90.restart.1000000

pair_style hybrid eam lj/cut 10.0
pair_coeff 2 2 lj/cut 0.0103 3.405
pair_coeff 1 1 eam Ag_u3.eam
pair_coeff 1 2 lj/cut 0.06013 2.9895

region hol block -30 -29 INF INF INF INF units box
region col block 20 21 INF INF INF INF units box
group ho-layer region hol
group co-layer region col
group argon type 2
group hotwall id <= 648
group coldwall subtract all argon hotwall
group myall subtract all ho-layer co-layer

timestep 0.004
fix 3 hotwall langevin 110 110 0.01 8766790
fix 4 coldwall langevin 90 90 0.01 6757890
fix 5 myall nve

communicate group argon vel yes
compute myPE argon pe/atom pair
compute flux argon heat/flux myPE
log flux.log
thermo 1000
thermo_style custom step lx ly lz etotal
run 2000



communicate style keyword value

This is from the documentation here -> Yours is not in this format. It looks like you’ll need to add either ‘single’ or ‘multi’ to your input. Hope that helps. Peter On 07/16/2010 02:30 PM, shiziyuan wrote:

I wrote “communicate single group argon cutoff 5.0 vel yes”. Still didn’t work. Still the same mistake.

Works for me, assuming you have group names argon. Are
you using the most current version of LAMMPS?