an kspace.cpp error on lammps-6Oct12 and 7Oct12


I used space_style command on lammps-6Oct12 and 7Oct12:
kspace_style pppm 1.0e-5

I got an error of "kspace.cpp":
LAMMPS (6 Oct 2012)
using 2 OpenMP thread(s) per MPI task
Reading data file ...
orthogonal box = (-0.967 -0.54135 -0.6837) to (60.921 29.5513 15.7263)
2 by 1 by 1 MPI processor grid
2430 atoms
1620 atoms in group 1
810 atoms in group 2
Setting atom values ...
1620 settings made for charge
Setting atom values ...
810 settings made for charge
PPPM initialization ...
ERROR: KSpace style is incompatible with Pair style (kspace.cpp:146)

It was a problem with pair hybrid. Try the 8Oct patch.


I checked lammps-8Oct12 with the previous script that I attached:
in.fcc111, data.fcc111.

lammps-8Oct12 works well.
The problem was fixed.

Thank you, Steve and AEI.

Fumihiro CHIBA (chibaf)