COMPUTING RDF

Hi Laamps users,

While giving the following input,

dimension 3
units real
atom_style full
bond_style harmonic
boundary p p p
read_data EPI.data
pair_style lj/cut 1.12
pair_coeff * * 0.096 0.3367
bond_coeff * 100.0 0.110
neighbor 0.4 bin
compute myRDF all rdf 100
fix 1 all ave/time 100 1 100 c_myRDF file tmp.rdf mode vector
minimize 1.0e-12 1.0e-12 10000 1000000
variable timestepc equal 1.0 # fs
timestep ${timestepc}
neigh_modify delay 0 every 1 check yes page 1000000 one 1000000
dump 2 all atom 400 dump.lammpstrj
log log.equil
run 8000

It says

WARNING: Inconsistent image flags (…/domain.cpp:774)
WARNING: Bond/angle/dihedral extent > half of periodic box length (…/domain.cpp:895)

error boost neigh_modify

How to fix it?

Thanks,

Subashini.K

Hi Laamps users,

While giving the following input,

dimension 3
units real
atom_style full
bond_style harmonic
boundary p p p
read_data EPI.data
pair_style lj/cut 1.12
pair_coeff * * 0.096 0.3367
bond_coeff * 100.0 0.110
neighbor 0.4 bin
compute myRDF all rdf 100
fix 1 all ave/time 100 1 100 c_myRDF file tmp.rdf mode vector
minimize 1.0e-12 1.0e-12 10000 1000000
variable timestepc equal 1.0 # fs
timestep ${timestepc}
neigh_modify delay 0 every 1 check yes page 1000000 one 1000000
dump 2 all atom 400 dump.lammpstrj
log log.equil
run 8000

It says

WARNING: Inconsistent image flags (../domain.cpp:774)
WARNING: Bond/angle/dihedral extent > half of periodic box length
(../domain.cpp:895)

error boost neigh_modify

How to fix it?

don't use a bogus data file.

axel.