forked from lijiext/lammps
add message about -DLAMMPS_BIGBIG incompatibility of scatter/gather functions
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@ -166,9 +166,6 @@ void lammps_gather_atoms_subset(void *, char *, int, int, int, int *, void *)
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void lammps_scatter_atoms(void *, char *, int, int, void *)
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void lammps_scatter_atoms_subset(void *, char *, int, int, int, int *, void *) :pre
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void lammps_create_atoms(void *, int, tagint *, int *, double *, double *,
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imageint *, int) :pre
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The gather functions collect peratom info of the requested type (atom
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coords, atom types, forces, etc) from all processors, and returns the
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same vector of values to each calling processor. The scatter
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@ -176,6 +173,11 @@ functions do the inverse. They distribute a vector of peratom values,
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passed by all calling processors, to individual atoms, which may be
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owned by different processors.
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IMPORTANT NOTE: These functions are not compatible with the
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-DLAMMPS_BIGBIG setting when compiling LAMMPS. Dummy functions
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that result in an error message and abort will be subsituted
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instead of resulting in random crashes and memory corruption.
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The lammps_gather_atoms() function does this for all N atoms in the
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system, ordered by atom ID, from 1 to N. The
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lammps_gather_atoms_concat() function does it for all N atoms, but
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@ -196,6 +198,9 @@ those values to each atom in the system. The
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lammps_scatter_atoms_subset() function takes a subset of IDs as an
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argument and only scatters those values to the owning atoms.
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void lammps_create_atoms(void *, int, tagint *, int *, double *, double *,
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imageint *, int) :pre
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The lammps_create_atoms() function takes a list of N atoms as input
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with atom types and coords (required), an optionally atom IDs and
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velocities and image flags. It uses the coords of each atom to assign
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