Similarly, the create_atoms command generates a +lattice of atoms. For the same physical system, the ordering and +numbering of atoms (atom ID or tag) may be different depending on the +number of processors. +
+Some commands use random number generators which may be setup to +produce different random number streams on each processor and hence +will produce different effects when run on different numbers of +processors. A commonly-used example is the fix +langevin command for thermostatting. +
A LAMMPS simulation typically has two stages, setup and run. Most LAMMPS errors are detected at setup time; others like a bond stretching too far may not occur until the middle of a run. diff --git a/doc/Section_errors.txt b/doc/Section_errors.txt index e83d132546..cd8ffb542f 100644 --- a/doc/Section_errors.txt +++ b/doc/Section_errors.txt @@ -37,6 +37,17 @@ phase space trajectories of the two simulations will rapidly diverge. See the discussion of the {loop} option in the "velocity"_velocity.html command for details. +Similarly, the "create_atoms"_create_atoms.html command generates a +lattice of atoms. For the same physical system, the ordering and +numbering of atoms (atom ID or tag) may be different depending on the +number of processors. + +Some commands use random number generators which may be setup to +produce different random number streams on each processor and hence +will produce different effects when run on different numbers of +processors. A commonly-used example is the "fix +langevin"_fix_langevin.html command for thermostatting. + A LAMMPS simulation typically has two stages, setup and run. Most LAMMPS errors are detected at setup time; others like a bond stretching too far may not occur until the middle of a run.