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Merge pull request #1556 from lammps/bug-maxexchange

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more robust version of atom exchange size
This commit is contained in:
Axel Kohlmeyer
2019-07-30 17:09:18 -04:00
committed by GitHub
parent e3b1673c8c 3548551479
commit 11a3fd6ce4
21 changed files with 186 additions and 89 deletions
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64
src/irregular.cpp
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@ -18,6 +18,8 @@
#include "atom_vec.h"
#include "domain.h"
#include "comm.h"
#include "modify.h"
#include "fix.h"
#include "memory.h"
using namespace LAMMPS_NS;
@ -34,8 +36,8 @@ static int compare_standalone(const int, const int, void *);
#endif
#define BUFFACTOR 1.5
#define BUFMIN 1000
#define BUFEXTRA 1000
#define BUFMIN 1024
#define BUFEXTRA 1024
/* ---------------------------------------------------------------------- */
@ -68,9 +70,10 @@ Irregular::Irregular(LAMMPS *lmp) : Pointers(lmp)
// initialize buffers for migrate atoms, not used for datum comm
// these can persist for multiple irregular operations
maxsend = BUFMIN;
memory->create(buf_send,maxsend+BUFEXTRA,"comm:buf_send");
maxrecv = BUFMIN;
buf_send = buf_recv = NULL;
maxsend = maxrecv = BUFMIN;
bufextra = BUFEXTRA;
grow_send(maxsend,2);
memory->create(buf_recv,maxrecv,"comm:buf_recv");
}
@ -102,6 +105,13 @@ Irregular::~Irregular()
void Irregular::migrate_atoms(int sortflag, int preassign, int *procassign)
{
// check if buf_send needs to be extended due to atom style or per-atom fixes
// same as in Comm::exchange()
int bufextra_old = bufextra;
init_exchange();
if (bufextra > bufextra_old) grow_send(maxsend+bufextra,2);
// clear global->local map since atoms move to new procs
// clear old ghosts so map_set() at end will operate only on local atoms
// exchange() doesn't need to clear ghosts b/c borders()
@ -982,24 +992,52 @@ void Irregular::destroy_data()
}
/* ----------------------------------------------------------------------
realloc the size of the send buffer as needed with BUFFACTOR & BUFEXTRA
if flag = 1, realloc
if flag = 0, don't need to realloc with copy, just free/malloc
set bufextra based on AtomVec and fixes
similar to Comm::init_exchange()
------------------------------------------------------------------------- */
void Irregular::init_exchange()
{
int nfix = modify->nfix;
Fix **fix = modify->fix;
int onefix;
int maxexchange_fix = 0;
for (int i = 0; i < nfix; i++) {
onefix = fix[i]->maxexchange;
maxexchange_fix = MAX(maxexchange_fix,onefix);
}
int maxexchange = atom->avec->maxexchange + maxexchange_fix;
bufextra = maxexchange + BUFEXTRA;
}
/* ----------------------------------------------------------------------
realloc the size of the send buffer as needed with BUFFACTOR and bufextra
flag = 0, don't need to realloc with copy, just free/malloc w/ BUFFACTOR
flag = 1, realloc with BUFFACTOR
flag = 2, free/malloc w/out BUFFACTOR
same as Comm::grow_send()
------------------------------------------------------------------------- */
void Irregular::grow_send(int n, int flag)
{
maxsend = static_cast<int> (BUFFACTOR * n);
if (flag)
memory->grow(buf_send,maxsend+BUFEXTRA,"comm:buf_send");
else {
if (flag == 0) {
maxsend = static_cast<int> (BUFFACTOR * n);
memory->destroy(buf_send);
memory->create(buf_send,maxsend+BUFEXTRA,"comm:buf_send");
memory->create(buf_send,maxsend+bufextra,"comm:buf_send");
} else if (flag == 1) {
maxsend = static_cast<int> (BUFFACTOR * n);
memory->grow(buf_send,maxsend+bufextra,"comm:buf_send");
} else {
memory->destroy(buf_send);
memory->grow(buf_send,maxsend+bufextra,"comm:buf_send");
}
}
/* ----------------------------------------------------------------------
free/malloc the size of the recv buffer as needed with BUFFACTOR
same as Comm::grow_recv()
------------------------------------------------------------------------- */
void Irregular::grow_recv(int n)