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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11686 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2014-04-03 14:53:00 +00:00
parent f356cebdfd
commit bb871ed2a7
1 changed files with 47 additions and 29 deletions
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76
src/atom_map.cpp
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@ -23,7 +23,6 @@ using namespace LAMMPS_NS;
/* ----------------------------------------------------------------------
allocate and initialize array or hash table for global -> local map
set map_tag_max = largest atom ID (may be larger than natoms)
for array option:
array length = 1 to map_tag_max
set entire array to -1 as initial values
@ -33,38 +32,20 @@ using namespace LAMMPS_NS;
so buckets will only be filled with 0 or 1 atoms on average
------------------------------------------------------------------------- */
void Atom::map_init()
void Atom::map_init(int check)
{
if (tag_enable == 0)
error->all(FLERR,"Cannot create an atom map unless atoms have IDs");
int map_style_old = map_style;
// map_tag_max = max ID of any atom that will be in new map
tagint max = 0;
for (int i = 0; i < nlocal; i++) max = MAX(max,tag[i]);
MPI_Allreduce(&max,&map_tag_max,1,MPI_LMP_TAGINT,MPI_MAX,world);
// set map_style for new map
// if user-selected, use that setting
// else if map_tag_max > 1M, use hash
// else use array
if (map_user) map_style = map_user;
else if (map_tag_max > 1000000) map_style = 2;
else map_style = 1;
// check for new map style if max atomID changed (check = 1 = default)
// recreate = 1 if must delete old map and create new map
// recreate = 0 if can re-use old map w/out realloc and just adjust settings
int recreate = 0;
if (map_style != map_style_old) recreate = 1;
else if (map_style == 1 && map_tag_max > map_maxarray) recreate = 1;
if (check) recreate = map_style_set();
if (map_style == 1 && map_tag_max > map_maxarray) recreate = 1;
else if (map_style == 2 && nlocal+nghost > map_nhash) recreate = 1;
// if not recreating:
// for array, just initialize current map_tag_max values
// for array, initialize current map_tag_max values
// for hash, set all buckets to empty, put all entries in free list
if (!recreate) {
@ -78,7 +59,7 @@ void Atom::map_init()
map_hash[map_nhash-1].next = -1;
}
// delete old map and create new one for array or hash
// recreating: delete old map and create new one for array or hash
} else {
map_delete();
@ -203,10 +184,12 @@ void Atom::map_set()
} else {
// possible reallocation of sametag must come after map_init()
// since map_init() will invoke map_delete(), whacking sametag
// if this proc has more atoms than hash table size, call map_init()
// call with 0 since max atomID in system has not changed
// possible reallocation of sametag must come after map_init(),
// b/c map_init() may invoke map_delete(), whacking sametag
if (nall > map_nhash) map_init();
if (nall > map_nhash) map_init(0);
if (nall > max_same) {
max_same = nall + EXTRA;
memory->destroy(sametag);
@ -294,6 +277,41 @@ void Atom::map_one(tagint global, int local)
}
}
/* ----------------------------------------------------------------------
set map style to array or hash based on user request or max atomID
set map_tag_max = max atom ID (may be larger than natoms)
called whenever map_init() called with new total # of atoms
return 1 if map_style changed, else 0
------------------------------------------------------------------------- */
int Atom::map_style_set()
{
if (tag_enable == 0)
error->all(FLERR,"Cannot create an atom map unless atoms have IDs");
// map_tag_max = max ID of any atom that will be in new map
tagint max = 0;
for (int i = 0; i < nlocal; i++) max = MAX(max,tag[i]);
MPI_Allreduce(&max,&map_tag_max,1,MPI_LMP_TAGINT,MPI_MAX,world);
// set map_style for new map
// if user-selected, use that setting
// else if map_tag_max > 1M, use hash
// else use array
int map_style_old = map_style;
if (map_user) map_style = map_user;
else if (map_tag_max > 1000000) map_style = 2;
else map_style = 1;
// recreate = 1 if must create new map b/c map_style changed
int recreate = 0;
if (map_style != map_style_old) recreate = 1;
return recreate;
}
/* ----------------------------------------------------------------------
free the array or hash table for global to local mapping
------------------------------------------------------------------------- */