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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12261 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-08-06 19:22:24 +00:00
parent 2f8e551ce1
commit 2861c9dfd3
2 changed files with 41 additions and 9 deletions
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42
src/comm_tiled.cpp
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@ -449,7 +449,7 @@ void CommTiled::setup()
MPI_Barrier(world);
// reallocate esendproc and erecvproc if needed based on noverlap
// reallocate exchproc and exchnum if needed based on noverlap
if (noverlap > nexchprocmax[idim]) {
while (nexchprocmax[idim] < noverlap) nexchprocmax[idim] += DELTA_PROCS;
@ -850,6 +850,19 @@ void CommTiled::exchange()
if (x[i][dim] < lo || x[i][dim] >= hi) {
if (nsend > maxsend) grow_send(nsend,1);
proc = (this->*point_drop)(dim,x[i]);
/*
// DEBUG:
// test if proc is not in exch list, means will lose atom
// could be that should lose atom
int flag = 0;
for (int k = 0; k < nexchproc[dim]; k++)
if (proc == exchproc[k]) flag = 1;
if (!flag)
printf("Losing exchange atom: dim %d me %d %proc %d: %g %g %g\n",
dim,me,proc,x[i][0],x[i][1],x[i][2]);
*/
if (proc != me) {
buf_send[nsend++] = proc;
nsend += avec->pack_exchange(i,&buf_send[nsend]);
@ -1992,15 +2005,34 @@ int CommTiled::point_drop_brick(int idim, double *x)
int CommTiled::point_drop_tiled(int idim, double *x)
{
double deltalo,deltahi;
double xnew[3];
xnew[0] = x[0]; xnew[1] = x[1]; xnew[2] = x[2];
if (idim == 0) {
xnew[1] = MAX(xnew[1],sublo[1]);
xnew[1] = MIN(xnew[1],subhi[1]);
if (xnew[1] < sublo[1] || xnew[1] > subhi[1]) {
if (sublo[1] == boxlo[1])
deltalo = fabs(x[1]-prd[1] - sublo[1]);
else deltalo = fabs(x[1] - sublo[1]);
if (subhi[1] == boxhi[1])
deltahi = fabs(x[1]+prd[1] - subhi[1]);
else deltahi = fabs(x[1] - subhi[1]);
if (deltalo < deltahi) xnew[1] = sublo[1];
else xnew[1] = subhi[1];
}
}
if (idim <= 1) {
xnew[2] = MAX(xnew[2],sublo[2]);
xnew[2] = MIN(xnew[2],subhi[2]);
if (xnew[2] < sublo[2] || xnew[2] > subhi[2]) {
if (sublo[2] == boxlo[2])
deltalo = fabs(x[2]-prd[2] - sublo[2]);
else deltalo = fabs(x[2] - sublo[2]);
if (subhi[2] == boxhi[2])
deltahi = fabs(x[2]+prd[2] - subhi[2]);
else deltahi = fabs(x[2] - subhi[2]);
if (deltalo < deltahi) xnew[2] = sublo[2];
else xnew[2] = subhi[2];
}
}
int proc = point_drop_tiled_recurse(xnew,0,nprocs-1);