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more robust version of atom exchange size

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This commit is contained in:
Steve Plimpton
2019-07-09 16:17:54 -06:00
parent 691fc357a4
commit 2fd327d057
16 changed files with 93 additions and 54 deletions
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40
src/comm.cpp
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@ -39,7 +39,7 @@
using namespace LAMMPS_NS;
#define BUFMIN 1000 // also in comm styles
#define BUFEXTRA 1024
enum{ONELEVEL,TWOLEVEL,NUMA,CUSTOM};
enum{CART,CARTREORDER,XYZ};
@ -65,7 +65,10 @@ Comm::Comm(LAMMPS *lmp) : Pointers(lmp)
outfile = NULL;
recv_from_partition = send_to_partition = -1;
otherflag = 0;
maxexchange_atom = maxexchange_fix = 0;
maxexchange = maxexchange_atom = maxexchange_fix = 0;
maxexchange_fix_dynamic = 0;
bufextra = BUFEXTRA;
grid2proc = NULL;
xsplit = ysplit = zsplit = NULL;
@ -225,6 +228,39 @@ void Comm::init()
if (force->newton == 0) maxreverse = 0;
if (force->pair) maxreverse = MAX(maxreverse,force->pair->comm_reverse_off);
// maxexchange_atom = size of an exchanged atom, set by AtomVec
// only needs to be set if size > BUFEXTRA
// maxexchange_fix_dynamic = 1 if any fix sets its maxexchange dynamically
maxexchange_atom = atom->avec->maxexchange;
int nfix = modify->nfix;
Fix **fix = modify->fix;
maxexchange_fix_dynamic = 0;
for (int i = 0; i < nfix; i++)
if (fix[i]->maxexchange_dynamic) maxexchange_fix_dynamic = 1;
}
/* ----------------------------------------------------------------------
set maxexchange based on AtomVec and fixes
------------------------------------------------------------------------- */
void Comm::init_exchange()
{
int nfix = modify->nfix;
Fix **fix = modify->fix;
int onefix;
maxexchange_fix = 0;
for (int i = 0; i < nfix; i++) {
onefix = fix[i]->maxexchange;
maxexchange_fix = MAX(maxexchange_fix,onefix);
}
maxexchange = maxexchange_atom + maxexchange_fix;
bufextra = maxexchange + BUFEXTRA;
}
/* ----------------------------------------------------------------------