diff -Naur lammps-29Nov08/src/MANYBODY/pair_airebo.cpp lammps-30Nov08/src/MANYBODY/pair_airebo.cpp --- lammps-29Nov08/src/MANYBODY/pair_airebo.cpp 2008-08-19 09:03:11.000000000 -0600 +++ lammps-30Nov08/src/MANYBODY/pair_airebo.cpp 2008-12-01 15:01:59.000000000 -0700 @@ -870,7 +870,6 @@ double **f = atom->f; int *type = atom->type; int *tag = atom->tag; - int nlocal = atom->nlocal; inum = list->inum; ilist = list->ilist; diff -Naur lammps-29Nov08/src/PERI/fix_peri_neigh.cpp lammps-30Nov08/src/PERI/fix_peri_neigh.cpp --- lammps-29Nov08/src/PERI/fix_peri_neigh.cpp 2008-07-25 08:41:48.000000000 -0600 +++ lammps-30Nov08/src/PERI/fix_peri_neigh.cpp 2008-12-01 15:01:59.000000000 -0700 @@ -163,8 +163,7 @@ delz = ztmp - x[j][2]; rsq = delx*delx + dely*dely + delz*delz; jtype = type[j]; - - if (rsq < cutsq[itype][jtype]) npartner[i]++; + if (rsq <= cutsq[itype][jtype]) npartner[i]++; } } @@ -172,11 +171,14 @@ for (i = 0; i < nlocal; i++) maxpartner = MAX(maxpartner,npartner[i]); int maxall; MPI_Allreduce(&maxpartner,&maxall,1,MPI_INT,MPI_MAX,world); + maxpartner = maxall; // realloc arrays with correct value for maxpartner memory->destroy_2d_int_array(partner); memory->destroy_2d_double_array(r0); + memory->sfree(npartner); + npartner = NULL; partner = NULL; r0 = NULL;