Hello,
I try to calculate a compound by ReaxFF.
My lammps version is 2April11.
I encounter a error :
failed to allocate … bytes for array list: three-bodies application called MPI_abort(MPI COMM_WORLD) process_1
Any suggestion here?
Thanks!
The string "three-bodies" appears nowhere
in LAMMPS or the ReaxFF lib, so I can't
tell where this is coming from. Please give
the exact error string.
If the error is coming from within ReaxFF, then
you have to adjust the sizes of the hardwired
params, as the doc pages indicate. If the
error is within LAMMPS itself, then you probably
have a malformed problem.
Steve
2011/5/17 meihai3166 <[email protected]...>: