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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12753 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-11-20 18:16:39 +00:00
parent 7f8f2fd3ed
commit d476b251e9
4 changed files with 40 additions and 26 deletions
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29
src/comm.cpp
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@ -162,33 +162,12 @@ void Comm::init()
triclinic = domain->triclinic;
map_style = atom->map_style;
// warn if any proc's sub-box is smaller than neigh skin
// since may lead to lost atoms in exchange()
// check warn if any proc's subbox is smaller than neigh skin
// since may lead to lost atoms in exchange()
// really should check every exchange() in case box size is shrinking
// but seems overkill to do that
// but seems overkill to do that (fix balance does perform this check)
int flag = 0;
if (!triclinic) {
if (domain->subhi[0] - domain->sublo[0] < neighbor->skin) flag = 1;
if (domain->subhi[1] - domain->sublo[1] < neighbor->skin) flag = 1;
if (domain->dimension == 3)
if (domain->subhi[2] - domain->sublo[2] < neighbor->skin) flag = 1;
} else {
double delta = domain->subhi_lamda[0] - domain->sublo_lamda[0];
if (delta*domain->prd[0] < neighbor->skin) flag = 1;
delta = domain->subhi_lamda[1] - domain->sublo_lamda[1];
if (delta*domain->prd[1] < neighbor->skin) flag = 1;
if (domain->dimension == 3) {
delta = domain->subhi_lamda[2] - domain->sublo_lamda[2];
if (delta*domain->prd[2] < neighbor->skin) flag = 1;
}
}
int flagall;
MPI_Allreduce(&flag,&flagall,1,MPI_INT,MPI_SUM,world);
if (flagall && me == 0)
error->warning(FLERR,"Proc sub-domain size < neighbor skin - "
"could lead to lost atoms");
domain->subbox_too_small_check(neighbor->skin);
// comm_only = 1 if only x,f are exchanged in forward/reverse comm
// comm_x_only = 0 if ghost_velocity since velocities are added