Hello list,
I have been trying to run my first lammps simulation (after a long time lurking in this list is time for me to jump in). I am running the attached input files and getting the following output:
LAMMPS (4 Dec 2012)
Scanning data file …
2 = max bonds/atom
6 = max angles/atom
Reading data file …
orthogonal box = (0 0 0) to (30 30 30)
1 by 1 by 1 MPI processor grid
9 atoms
12 bonds
22 angles
Finding 1-2 1-3 1-4 neighbors …
4 = max # of 1-2 neighbors
8 = max # of 1-3 neighbors
16 = max # of 1-4 neighbors
8 = max # of special neighbors
[1] 30687 segmentation fault (core dumped) lmp < sys_ThreeByThree_single.in
I have compiled lammps with the MOLECULE and the USER-MISC packages. I am using moltemplate to build my system. If anyone can spot something obvioiusly wrong in my input I would appreciate it. One thing I suspect is that I lack initial velocities, but does lammps have a default setting for initializing the system?
sys_ThreeByThree_single.in (527 Bytes)
sys_ThreeByThree_single.in.init (114 Bytes)
sys_ThreeByThree_single.in.settings (63 Bytes)
sys_ThreeByThree_single.data (826 Bytes)