[lammps-users] Neighbour List Overflow

Hello all,

Sorry for posing this again, but due to some error the text in earlier post wasn’t visible.
arch: Xeon, (2.6.18-92.1.6.el5), 16GB shared mem, 2 x Core2Quad
binary: lmp_intel_mkl, ver LAMMPS 06Apr09
ERROR on proc 0 : Neighbor list overflow, boost neigh_modify one or page
increasing page size did not help.
data_file:
6804 atoms
2 atom types
-0.382 9.698 xlo xhi
-0.382 9.698 ylo yhi
-0.383 9.968 zlo zhi
Masses
1 47.8670
2 15.9994
Atoms
1 1 1 2.196 -18.751 -18.751 -19.606
2 1 1 2.196 -16.455 -16.455 -20.267
etc
input:
units real
dimension 3
newton on
boundary p p p
atom_style full
kspace_style ewald 1.0e-6
kspace_modify mesh 32 32 32 order 8
read_data data.tio2
pair_style buck/coul/long 10.0 8.0
pair_coeff 1 1 717647.4 0.154 121.0676
pair_coeff 2 2 271716.3 0.234 696.8883
pair_coeff 1 2 391049.1 0.194 290.3317
neigh_modify one 700
timestep 2.0
thermo 50
fix 1 all nvt 300.0 300.0 100.0
dump mydump all atom 100 atom.dump
run 300

Ritwik Kavathekar.
PhD student,
University College Dublin.