[lammps-users] NN-MEAM vs. 2NN-MEAM

Hello everybody,

I am trying to run a MD-simulation using meam-potentials. The file lammps-22Jun07/lib/meam/meam_setup_global.F contains this line:
nn2_meam(:,:slight_smile: = 0
This looks like second-nearest neighbors are not included in the calculations. So i added nn2 = 1 to the file containing the additional meam-settings. But if i run lammps, i get :

c099:run1>./lmp_g++_meam < in.meam
LAMMPS (22 Jun 2007)
Lattice spacing in x,y,z = 2.86 2.86 2.86
Created orthogonal box = (0 0 0) to (28.6 28.6 28.6)
1 by 1 by 1 processor grid
Created 2000 atoms
p0_25192: p4_error: interrupt SIGSEGV: 11

If i comment that lie out, i get:

c099:run1>./lmp_g++_meam < in.meam
LAMMPS (22 Jun 2007)
Lattice spacing in x,y,z = 2.86 2.86 2.86
Created orthogonal box = (0 0 0) to ( 28.6 28.6 28.6)
1 by 1 by 1 processor grid
Created 2000 atoms
Setting up run …
Memory usage per processor = 6.07796 Mbytes
Step Temp E_pair E_mol TotEng Press
0 3 -8574.6324 0 - 8573.8573 118218.08

Regards,
Tobias

Greg - do you want to comment on this?

Steve