From: Berk Hess <hess@kth.se>
Date: Wed, 17 Dec 2014 10:26:21 +0000 (+0100)
Subject: Fix bug FE + GPU + 2/3D domain decomposition
X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=268a6b0988a2b325c216a46971ed810ad0744dc2;p=alexxy%2Fgromacs.git

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 d201407bfd..63a2cc49c3 100644
--- 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;