error in lammps input script

Dear Axel and Users,
I am getting an error when I run my gcmc simulation. in case of molecular template command like offset. I give a brief view of my file set up in input script belo

units real
dimension 3
boundary p p p
atom_style full
atom_modify map array
pair_style lj/cut 12.5

variable a loop 8
variable p index 0.8 0.85 0.9 0.95 1.0 1.05 1.1 1.15

molecule gas gas1.molecule offset 4 0 0 0 0 # molecule templates

read_data cua1.data

log log Cu_D_$a

molecule gas gas2.molecule # molecule templates

molecule gas gas2.molecule 4 0 0 0 0 # molecule templates

Define interatomic potential

pair_style lj/cut 12.5
pair_coeff 1 5 0.0664 3.1275 #Ni
pair_coeff 3 5 0.16771 3.3815 #O
pair_coeff 2 5 0.16718 3.6015 #C
pair_coeff 4 5 0.06684 3.288 #H
pair_coeff 5 * 0.053649 2.8 #gas
pair_coeff 6 * 0.156973 3.05

Define groups fixes computes (see LAMMPS manual)

group gas type 5 6
group sol type 1 2 3 4

neigh_modify exclude molecule sol

neigh_modify exclude molecule gas

fix 1 all rig nvt temp 298 2 0

fix 2 gas gcmc 1 1000 1000 0 3366593 298.0 -0.5 0.1 mol gas pressure $p fugacity_coeff 1

fix 1 gas gcmc 100 10 10 0 34565 300.0 -0.5 0.1 maxangle 10.0 mol gas

Simulation data output and dump options

compute_modify thermo_temp dynamic yes
log Cu_DO_$a

thermo 10
thermo_style custom step atoms vol cella cellb cellc cellalpha cellbeta cellgamma
dump 2 all custom 1 dump_all id type x y z

dump m1 all image 1 all*.jpg type type view 0.0 45

dump aa gas image 5 gas.*.jpg type type

Dear Axel and Users,
I am getting an error when I run my gcmc simulation. in case of molecular
template command like offset. I give a brief view of my file set up in
input script belo

this input is too complex to give any recommendation.
also, there seem to be comment characters missing, so it is difficult to
tell which is intended input and which is not.
you also have been violating multiple mailing list etiquette
recommendations.
i suggest you do the following:
- simplify your input deck to have *only* lines that are essential.
- remove the loop, molecule, fix gcmc commands, so that you have a simple
input running a short trajectory on your framework system. make sure that
can finish and produces meaningful energies and trajectory
- add the molecule command(s), and test it without using gcmc but just
create a single molecule using "create_atoms 0 single ... mol gas 555" at a
suitable location and also verify, that this will create a meaningful
trajectory and energies. if you get an error about your molecule file,
reread the documentation of the molecule command *very* carefully. i have
copied your molecule file and it can be read in using "*molecule gas
gas2.molecule", "**molecule gas gas2.molecule 4 0 0 0 0"* is incorrect
syntax, and "*molecule gas gas2.molecule offset 4 0 0 0 0*" generates atoms
with out of range (= invalid) atom types.
- add and debug your fix gcmc command

you should only be posting to the mailing list, if you can provide a small,
simple and complete input deck.
please also remember to *always* report what LAMMPS version you are using
and on what platform and in the future please refrain from hijacking other
threads (i.e. posting your inquiry as a reply to an e-mail on a completely
different subject).

thanks for your understanding,
        axel.