add new explanation for warning about multiple time integrations

This commit is contained in:
Axel Kohlmeyer
2025-03-17 12:18:32 -04:00
parent d42330edbd
commit 68c92f3267
2 changed files with 14 additions and 1 deletions

View File

@ -868,3 +868,15 @@ keyword, LAMMPS stops with the 'Invalid thermo keyword' error. But it
is also possible, that there is just a typo in the name of a valid
variable function. Thus it is recommended to check the failing variable
expression very carefully.
.. _err0032:
One or more atoms are time integrated more than once
----------------------------------------------------
This is probably an error since you typically do not want to advance the
positions or velocities of an atom more than once per timestep. This
typically happens when there are multiple fix commands that advance atom
positions with overlapping groups. Also, for some fix styles it is not
immediately obvious that they include time integration. Please check
the documentation carefully.

View File

@ -295,7 +295,8 @@ void Modify::init()
int checkall;
MPI_Allreduce(&check, &checkall, 1, MPI_INT, MPI_SUM, world);
if (comm->me == 0 && checkall)
error->warning(FLERR, "One or more atoms are time integrated more than once");
error->warning(FLERR, "One or more atoms are time integrated more than once"
+ utils::errorurl(32));
}
/* ----------------------------------------------------------------------