Fix gcmc incompatible with given pair_style

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1

Dear users and developers:

I am trying to use GCMC to insert hydrogen atoms in a simulation that
uses pair_style airebo. I get the following error message:

ERROR: Fix gcmc incompatible with given pair_style (../fix_gcmc.cpp:315)

The lammps documentation page for fix gcmc does not say that there are
any restrictions about the pair_styles that the fix can/cannot be used
with. My input script is appended below. Any help in fixing this is
deeply appreciated.

units metal
boundary p p p
atom_style atomic
read_data hydrogen.lammps
pair_style airebo 2.0 0 0
pair_coeff * * CH.airebo H
mass 1 1.0000

thermo 10

fix 1 all gcmc 100 100 100 1 311313 300 1.0 0.1 pressure 1
fix 2 all nvt temp 300 300 0.1

dump 1 all cfg 1000 ${pref}_*.cfg mass type xs ys zs
dump_modify 1 sort id
dump_modify 1 element H

run 10000

Thanks!

2

Dear users and developers:

I am trying to use GCMC to insert hydrogen atoms in a simulation that
uses pair_style airebo. I get the following error message:

ERROR: Fix gcmc incompatible with given pair_style (../fix_gcmc.cpp:315)

The lammps documentation page for fix gcmc does not say that there are
any restrictions about the pair_styles that the fix can/cannot be used
with. My input script is appended below. Any help in fixing this is
deeply appreciated.

you are using an outdated version of LAMMPS which is missing important
updates and corrections to fix gcmc, some of which apply to your case,
as can be seen here: http://lammps.sandia.gov/bug.html

axel.