Fix bug FE + GPU + 2/3D domain decomposition

Fixes #1661

Change-Id: Ia84f6c1219a2052df0ed1c5c4d7f66c37ed7f67b

diff --git a/src/gromacs/mdlib/nbnxn_search.c b/src/gromacs/mdlib/nbnxn_search.c
index d201407bfda9af23daef7e4e4dffea23951f2f0c..63a2cc49c355c532726bf5e3ab7514d16faa25f5 100644 (file)
--- a/src/gromacs/mdlib/nbnxn_search.c
+++ b/src/gromacs/mdlib/nbnxn_search.c
@@ -3560,7 +3560,7 @@ static void make_fep_list_supersub(const nbnxn_search_t    nbs,
                 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;