Merge pull request #2260 from akohlmey/collected-small-changes
Collected small changes
This commit is contained in:
@ -118,6 +118,24 @@ Doc page with :doc:`ERROR messages <Errors_messages>`
|
||||
incorrect periodic images of atoms in interaction lists. To avoid, either use
|
||||
:doc:`pair style zero <pair_zero>` with a suitable cutoff or use :doc:`comm_modify cutoff <comm_modify>`.
|
||||
|
||||
*Communication cutoff is shorter than a bond length based estimate. This may lead to errors.*
|
||||
|
||||
Since LAMMPS stores topology data with individual atoms, all atoms
|
||||
comprising a bond, angle, dihedral or improper must be present on any
|
||||
sub-domain that "owns" the atom with the information, either as a
|
||||
local or a ghost atom. The communication cutoff is what determines up
|
||||
to what distance from a sub-domain boundary ghost atoms are created.
|
||||
The communication cutoff is by default the largest non-bonded cutoff
|
||||
plus the neighbor skin distance, but for short or non-bonded cutoffs
|
||||
and/or long bonds, this may not be sufficient. This warning indicates
|
||||
that there is an increased risk of a simulation stopping unexpectedly
|
||||
because of Bond/Angle/Dihedral/Improper atoms missing. It can be
|
||||
silenced by manually setting the communication cutoff via
|
||||
:doc:`comm_modify cutoff <comm_modify>`. However, since the
|
||||
heuristic used to determine the estimate is not always accurate, it
|
||||
is not changed automatically and the warning may be ignored depending
|
||||
on the specific system being simulated.
|
||||
|
||||
*Communication cutoff is too small for SNAP micro load balancing, increased to %lf*
|
||||
Self-explanatory.
|
||||
|
||||
|
||||
Reference in New Issue
Block a user