[lammps-users] illegal communicate command

LAMMPS LAMMPS Mailing List Mirror
1

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

Thanks

ziyuan

2 


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:

3

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

4

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

Steve