Fixes #1661
Change-Id: Ia84f6c1219a2052df0ed1c5c4d7f66c37ed7f67b
nlist->gid[nri] = 0;
nlist->shift[nri] = nbl_sci->shift & NBNXN_CI_SHIFT;
nlist->gid[nri] = 0;
nlist->shift[nri] = nbl_sci->shift & NBNXN_CI_SHIFT;
- bFEP_i = (gridi->fep[c_abs - gridi->cell0] & (1 << i));
+ bFEP_i = (gridi->fep[c_abs - gridi->cell0*GPU_NSUBCELL] & (1 << i));
xi = nbat->x[ind_i*nbat->xstride+XX] + shx;
yi = nbat->x[ind_i*nbat->xstride+YY] + shy;
xi = nbat->x[ind_i*nbat->xstride+XX] + shx;
yi = nbat->x[ind_i*nbat->xstride+YY] + shy;