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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2015-10-30 20:04:06 +00:00
parent 0aa77408f8
commit 354e20f431
1219 changed files with 10111 additions and 10111 deletions
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62
src/comm_tiled.cpp
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@ -11,7 +11,7 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include "string.h"
#include <string.h>
#include "comm_tiled.h"
#include "comm_brick.h"
#include "atom.h"
@ -123,7 +123,7 @@ void CommTiled::init()
// temporary restrictions
if (triclinic)
if (triclinic)
error->all(FLERR,"Cannot yet use comm_style tiled with triclinic box");
if (mode == MULTI)
error->all(FLERR,"Cannot yet use comm_style tiled with multi-mode comm");
@ -222,7 +222,7 @@ void CommTiled::setup()
lo1[idim] = subhi[idim];
hi1[idim] = subhi[idim] + cut;
}
two = 0;
if (idir == 0 && periodicity[idim] && lo1[idim] < boxlo[idim]) two = 1;
if (idir == 1 && periodicity[idim] && hi1[idim] > boxhi[idim]) two = 1;
@ -305,16 +305,16 @@ void CommTiled::setup()
// = obox in other 2 dims
// if sbox touches other proc's sub-box boundaries in lower dims,
// extend sbox in those lower dims to include ghost atoms
double oboxlo[3],oboxhi[3],sbox[6];
for (i = 0; i < noverlap; i++) {
pbc_flag[iswap][i] = 0;
pbc[iswap][i][0] = pbc[iswap][i][1] = pbc[iswap][i][2] =
pbc[iswap][i][3] = pbc[iswap][i][4] = pbc[iswap][i][5] = 0;
(this->*box_other)(idim,idir,overlap[i],oboxlo,oboxhi);
if (i < noverlap1) {
sbox[0] = MAX(oboxlo[0],lo1[0]);
sbox[1] = MAX(oboxlo[1],lo1[1]);
@ -352,7 +352,7 @@ void CommTiled::setup()
if (sbox[1] == oboxlo[1]) sbox[1] -= cut;
if (sbox[4] == oboxhi[1]) sbox[4] += cut;
}
memcpy(sendbox[iswap][i],sbox,6*sizeof(double));
}
@ -412,7 +412,7 @@ void CommTiled::setup()
MPI_Barrier(world);
// reallocate exchproc and exchnum if needed based on noverlap
if (noverlap > nexchprocmax[idim]) {
while (nexchprocmax[idim] < noverlap) nexchprocmax[idim] += DELTA_PROCS;
delete [] exchproc[idim];
@ -429,7 +429,7 @@ void CommTiled::setup()
if (cutzero) {
for (i = 0; i < nswap; i++) {
nsendproc[i] = nrecvproc[i] =
nsendproc[i] = nrecvproc[i] =
sendother[i] = recvother[i] = sendself[i] = 0;
}
}
@ -596,7 +596,7 @@ void CommTiled::reverse_comm()
reverse_recv_offset[iswap][irecv]]);
}
}
} else {
if (sendother[iswap]) {
for (i = 0; i < nsend; i++)
@ -709,7 +709,7 @@ void CommTiled::exchange()
int flag = 0;
for (int k = 0; k < nexchproc[dim]; k++)
if (proc == exchproc[k]) flag = 1;
if (!flag)
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]);
*/
@ -814,7 +814,7 @@ void CommTiled::borders()
x = atom->x;
if (iswap % 2 == 0) nlast = atom->nlocal + atom->nghost;
ncountall = 0;
for (m = 0; m < nsendproc[iswap]; m++) {
bbox = sendbox[iswap][m];
@ -879,7 +879,7 @@ void CommTiled::borders()
for (m = 0; m < nsendproc[iswap]; m++) {
size_reverse_recv[iswap][m] = sendnum[iswap][m]*size_reverse;
if (m == 0) reverse_recv_offset[iswap][0] = 0;
else reverse_recv_offset[iswap][m] =
else reverse_recv_offset[iswap][m] =
reverse_recv_offset[iswap][m-1] + sendnum[iswap][m-1];
}
@ -896,7 +896,7 @@ void CommTiled::borders()
forward_recv_offset[iswap][0] = 0;
} else {
firstrecv[iswap][m] = firstrecv[iswap][m-1] + recvnum[iswap][m-1];
forward_recv_offset[iswap][m] =
forward_recv_offset[iswap][m] =
forward_recv_offset[iswap][m-1] + recvnum[iswap][m-1];
}
}
@ -972,7 +972,7 @@ void CommTiled::borders()
// increment ghost atoms
n = nrecvproc[iswap];
if (n)
if (n)
atom->nghost += forward_recv_offset[iswap][n-1] + recvnum[iswap][n-1];
}
@ -1375,7 +1375,7 @@ void CommTiled::reverse_comm_dump(Dump *dump)
------------------------------------------------------------------------- */
void CommTiled::forward_comm_array(int nsize, double **array)
{
{
int i,j,k,m,iatom,last,irecv,nsend,nrecv;
// insure send/recv bufs are big enough for nsize
@ -1491,12 +1491,12 @@ void CommTiled::box_drop_brick(int idim, double *lo, double *hi, int &indexme)
split = zsplit;
}
if (index < 0 || index > procgrid[idim])
if (index < 0 || index > procgrid[idim])
error->one(FLERR,"Comm tiled invalid index in box drop brick");
while (1) {
lower = boxlo[idim] + prd[idim]*split[index];
if (index < procgrid[idim]-1)
if (index < procgrid[idim]-1)
upper = boxlo[idim] + prd[idim]*split[index+1];
else upper = boxhi[idim];
if (lower >= hi[idim] || upper <= lo[idim]) break;
@ -1529,7 +1529,7 @@ void CommTiled::box_drop_tiled(int idim, double *lo, double *hi, int &indexme)
box_drop_tiled_recurse(lo,hi,0,nprocs-1,indexme);
}
void CommTiled::box_drop_tiled_recurse(double *lo, double *hi,
void CommTiled::box_drop_tiled_recurse(double *lo, double *hi,
int proclower, int procupper,
int &indexme)
{
@ -1557,8 +1557,8 @@ void CommTiled::box_drop_tiled_recurse(double *lo, double *hi,
int procmid = proclower + (procupper - proclower) / 2 + 1;
int idim = rcbinfo[procmid].dim;
double cut = boxlo[idim] + prd[idim]*rcbinfo[procmid].cutfrac;
if (lo[idim] < cut)
if (lo[idim] < cut)
box_drop_tiled_recurse(lo,hi,proclower,procmid-1,indexme);
if (hi[idim] > cut)
box_drop_tiled_recurse(lo,hi,procmid,procupper,indexme);
@ -1571,8 +1571,8 @@ void CommTiled::box_drop_tiled_recurse(double *lo, double *hi,
void CommTiled::box_other_brick(int idim, int idir,
int proc, double *lo, double *hi)
{
lo[0] = sublo[0]; lo[1] = sublo[1]; lo[2] = sublo[2];
hi[0] = subhi[0]; hi[1] = subhi[1]; hi[2] = subhi[2];
lo[0] = sublo[0]; lo[1] = sublo[1]; lo[2] = sublo[2];
hi[0] = subhi[0]; hi[1] = subhi[1]; hi[2] = subhi[2];
int other1,other2,oproc;
double *split;
@ -1604,7 +1604,7 @@ void CommTiled::box_other_brick(int idim, int idir,
if (proc == oproc) {
lo[idim] = boxlo[idim] + prd[idim]*split[index];
if (split[index+1] < 1.0)
if (split[index+1] < 1.0)
hi[idim] = boxlo[idim] + prd[idim]*split[index+1];
else hi[idim] = boxhi[idim];
return;
@ -1657,7 +1657,7 @@ int CommTiled::box_touch_tiled(int proc, int idim, int idir)
if (idir == 0) {
if (rcbinfo[proc].mysplit[idim][1] == rcbinfo[me].mysplit[idim][0])
return 1;
else if (rcbinfo[proc].mysplit[idim][1] == 1.0 &&
else if (rcbinfo[proc].mysplit[idim][1] == 1.0 &&
rcbinfo[me].mysplit[idim][0] == 0.0)
return 1;
@ -1667,7 +1667,7 @@ int CommTiled::box_touch_tiled(int proc, int idim, int idir)
} else {
if (rcbinfo[proc].mysplit[idim][0] == rcbinfo[me].mysplit[idim][1])
return 1;
else if (rcbinfo[proc].mysplit[idim][0] == 0.0 &&
else if (rcbinfo[proc].mysplit[idim][0] == 0.0 &&
rcbinfo[me].mysplit[idim][1] == 1.0)
return 1;
}
@ -1749,14 +1749,14 @@ int CommTiled::point_drop_tiled(int idim, double *x)
recursive point drop thru RCB tree
------------------------------------------------------------------------- */
int CommTiled::point_drop_tiled_recurse(double *x,
int CommTiled::point_drop_tiled_recurse(double *x,
int proclower, int procupper)
{
// end recursion when partition is a single proc
// return proc
if (proclower == procupper) return proclower;
// drop point on side of cut it is on
// use < criterion so point is not on high edge of proc sub-domain
// procmid = 1st processor in upper half of partition
@ -1800,8 +1800,8 @@ void CommTiled::coord2proc_setup()
{
if (!rcbnew) return;
if (!rcbinfo)
rcbinfo = (RCBinfo *)
if (!rcbinfo)
rcbinfo = (RCBinfo *)
memory->smalloc(nprocs*sizeof(RCBinfo),"comm:rcbinfo");
rcbnew = 0;
RCBinfo rcbone;
@ -1831,7 +1831,7 @@ int CommTiled::coord2proc(double *x, int &igx, int &igy, int &igz)
if flag = 1, realloc
if flag = 0, don't need to realloc with copy, just free/malloc
------------------------------------------------------------------------- */
void CommTiled::grow_send(int n, int flag)
{
maxsend = static_cast<int> (BUFFACTOR * n);