Unverified Commit 34b02345 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

add message about -DLAMMPS_BIGBIG incompatibility of scatter/gather functions

parent 978b52ee
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+8 −3
Original line number Diff line number Diff line
@@ -166,9 +166,6 @@ void lammps_gather_atoms_subset(void *, char *, int, int, int, int *, void *)
void lammps_scatter_atoms(void *, char *, int, int, void *)
void lammps_scatter_atoms_subset(void *, char *, int, int, int, int *, void *) :pre

void lammps_create_atoms(void *, int, tagint *, int *, double *, double *,
                         imageint *, int) :pre

The gather functions collect peratom info of the requested type (atom
coords, atom types, forces, etc) from all processors, and returns the
same vector of values to each calling processor.  The scatter
@@ -176,6 +173,11 @@ functions do the inverse. They distribute a vector of peratom values,
passed by all calling processors, to individual atoms, which may be
owned by different processors.

IMPORTANT NOTE: These functions are not compatible with the
-DLAMMPS_BIGBIG setting when compiling LAMMPS.  Dummy functions
that result in an error message and abort will be subsituted
instead of resulting in random crashes and memory corruption.

The lammps_gather_atoms() function does this for all N atoms in the
system, ordered by atom ID, from 1 to N.  The
lammps_gather_atoms_concat() function does it for all N atoms, but
@@ -196,6 +198,9 @@ those values to each atom in the system. The
lammps_scatter_atoms_subset() function takes a subset of IDs as an
argument and only scatters those values to the owning atoms.

void lammps_create_atoms(void *, int, tagint *, int *, double *, double *,
                         imageint *, int) :pre

The lammps_create_atoms() function takes a list of N atoms as input
with atom types and coords (required), an optionally atom IDs and
velocities and image flags.  It uses the coords of each atom to assign