Hi All,
I tried to run a input script with lammps-daily (prebuilt version for Ubuntu) which is used ReaxFF force field to build diamond structure however, it seems that ffield.reax potentials are not working for this PPA lammps version. I updated it too but no hope. Force field file and input file is attached. The error occured is
vampire@…4660…:~/tools/lmp/LAMMPS_CUSTOM_POTENTIALS$ lammps-daily < diamond.in
LAMMPS (11 Nov 2013)
using 4 OpenMP thread(s) per MPI task
Created orthogonal box = (-50 -50 -50) to (50 50 50)
1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 3.57 3.57 3.57
Created 5851 atoms
ERROR: Invalid pair style (…/force.cpp:175)
Is any one came across the same problem? However, it works for reaxc type potentials because I run example file AuO in reax folder provided with lammps.
Thanking you
Jeffrey
ffield.reax (14.4 KB)
diamond.in (694 Bytes)
Hi All,
I tried to run a input script with lammps-daily (prebuilt version for
Ubuntu) which is used ReaxFF force field to build diamond structure however,
it seems that ffield.reax potentials are not working for this PPA lammps
version. I updated it too but no hope. Force field file and input file is
attached. The error occured is
[email protected]...:~/tools/lmp/LAMMPS_CUSTOM_POTENTIALS$
lammps-daily < diamond.in
LAMMPS (11 Nov 2013)
using 4 OpenMP thread(s) per MPI task
Created orthogonal box = (-50 -50 -50) to (50 50 50)
1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 3.57 3.57 3.57
Created 5851 atoms
ERROR: Invalid pair style (../force.cpp:175)
Is any one came across the same problem? However, it works for reaxc type
potentials because I run example file AuO in reax folder provided with
lammps.
then why don't you just use the reax/c pair style?
pair_style reax is obsolete and superseded by reax/c.
axel.