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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4163 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2010-05-20 15:53:39 +00:00
parent f2ab1cb3dd
commit 841a27b442
2 changed files with 74 additions and 31 deletions
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92
src/comm.cpp
View File

@ -114,17 +114,12 @@ Comm::~Comm()
void Comm::set_procs()
{
if (user_procgrid[0] == 0) procs2box();
else {
procgrid[0] = user_procgrid[0];
procgrid[1] = user_procgrid[1];
procgrid[2] = user_procgrid[2];
}
procs2box();
if (procgrid[0]*procgrid[1]*procgrid[2] != nprocs)
error->all("Bad grid of processors");
if (domain->dimension == 2 && procgrid[2] != 1)
error->all("Proc grid in z != 1 for 2d simulation");
error->all("Processor count in z must be 1 for 2d simulation");
if (grid2proc) memory->destroy_3d_int_array(grid2proc);
grid2proc = memory->create_3d_int_array(procgrid[0],procgrid[1],procgrid[2],
@ -1358,8 +1353,31 @@ int Comm::irregular_lookup(double *x)
void Comm::procs2box()
{
double area[3];
procgrid[0] = user_procgrid[0];
procgrid[1] = user_procgrid[1];
procgrid[2] = user_procgrid[2];
// all 3 proc counts are specified
if (procgrid[0] && procgrid[1] && procgrid[2]) return;
// 2 out of 3 proc counts are specified
if (procgrid[0] > 0 && procgrid[1] > 0) {
procgrid[2] = nprocs/(procgrid[0]*procgrid[1]);
return;
} else if (procgrid[0] > 0 && procgrid[2] > 0) {
procgrid[1] = nprocs/(procgrid[0]*procgrid[2]);
return;
} else if (procgrid[1] > 0 && procgrid[2] > 0) {
procgrid[0] = nprocs/(procgrid[1]*procgrid[2]);
return;
}
// determine cross-sectional areas for orthogonal and triclinic boxes
// area[0] = xy, area[1] = xz, area[2] = yz
double area[3];
if (domain->triclinic == 0) {
area[0] = domain->xprd * domain->yprd;
area[1] = domain->xprd * domain->zprd;
@ -1378,33 +1396,51 @@ void Comm::procs2box()
double bestsurf = 2.0 * (area[0]+area[1]+area[2]);
// loop thru all possible factorizations of nprocs
// only consider valid cases that match procgrid settings
// surf = surface area of a proc sub-domain
// for 2d, insure ipz = 1
int ipx,ipy,ipz,nremain;
int ipx,ipy,ipz,valid;
double surf;
ipx = 1;
while (ipx <= nprocs) {
if (nprocs % ipx == 0) {
nremain = nprocs/ipx;
ipy = 1;
while (ipy <= nremain) {
if (nremain % ipy == 0) {
ipz = nremain/ipy;
if (domain->dimension == 3 || ipz == 1) {
surf = area[0]/ipx/ipy + area[1]/ipx/ipz + area[2]/ipy/ipz;
if (surf < bestsurf) {
bestsurf = surf;
procgrid[0] = ipx;
procgrid[1] = ipy;
procgrid[2] = ipz;
}
}
}
ipy++;
}
valid = 1;
if (user_procgrid[0] && ipx != user_procgrid[0]) valid = 0;
if (nprocs % ipx) valid = 0;
if (!valid) {
ipx++;
continue;
}
ipy = 1;
while (ipy <= nprocs/ipx) {
valid = 1;
if (user_procgrid[1] && ipy != user_procgrid[1]) valid = 0;
if ((nprocs/ipx) % ipy) valid = 0;
if (!valid) {
ipy++;
continue;
}
ipz = nprocs/ipx/ipy;
valid = 1;
if (user_procgrid[2] && ipz != user_procgrid[2]) valid = 0;
if (domain->dimension == 2 && ipz != 1) valid = 0;
if (!valid) {
ipy++;
continue;
}
surf = area[0]/ipx/ipy + area[1]/ipx/ipz + area[2]/ipy/ipz;
if (surf < bestsurf) {
bestsurf = surf;
procgrid[0] = ipx;
procgrid[1] = ipy;
procgrid[2] = ipz;
}
ipy++;
}
ipx++;
}
}

13
src/input.cpp
View File

@ -1077,9 +1077,16 @@ void Input::processors()
if (narg != 3) error->all("Illegal processors command");
if (domain->box_exist)
error->all("Processors command after simulation box is defined");
comm->user_procgrid[0] = atoi(arg[0]);
comm->user_procgrid[1] = atoi(arg[1]);
comm->user_procgrid[2] = atoi(arg[2]);
if (strcmp(arg[0],"*") == 0) comm->user_procgrid[0] = 0;
else comm->user_procgrid[0] = atoi(arg[0]);
if (strcmp(arg[1],"*") == 0) comm->user_procgrid[1] = 0;
else comm->user_procgrid[1] = atoi(arg[1]);
if (strcmp(arg[2],"*") == 0) comm->user_procgrid[2] = 0;
else comm->user_procgrid[2] = atoi(arg[2]);
if (comm->user_procgrid[0] < 0 || comm->user_procgrid[1] < 0 ||
comm->user_procgrid[2] < 0) error->all("Illegal processors command");
}
/* ---------------------------------------------------------------------- */