Remove unused config.h defines

These were orphaned in pre-4.6 times, with an argument that an
architecture may appear where these may be necessary.  Since that has
not happened in two years, and the whole group kernels are scheduled for
removal, it is unlikely they ever get used again, either.

Change-Id: Ie8e9c12110a889d9b1ed80125feb1ab7de4483cc

diff --git a/src/config.h.cmakein b/src/config.h.cmakein
index 8a18d942b2e21122cb84697049c78bfde193f893..3b48fc0342934f9ea7a43fbdc8d5a45e925e7aaf 100644 (file)
--- a/src/config.h.cmakein
+++ b/src/config.h.cmakein
@@ -61,12 +61,6 @@
 /* Binary directory for the build */
 #cmakedefine CMAKE_BINARY_DIR "@CMAKE_BINARY_DIR@"
 
-/* Turn off water-water neighborlist optimization only - not used right now */
-#cmakedefine DISABLE_WATERWATER_NLIST
-
-/* Turn off all water neighborlist optimization - not used right now */
-#cmakedefine DISABLE_WATER_NLIST
-
 /* IEEE754 floating-point format. Memory layout is defined by macros
  * GMX_IEEE754_BIG_ENDIAN_BYTE_ORDER and GMX_IEEE754_BIG_ENDIAN_WORD_ORDER. 
  */

diff --git a/src/gromacs/mdlib/forcerec.c b/src/gromacs/mdlib/forcerec.c
index 7f57b280838b1ad178d03ce2279424d23b8c65e8..5be156dd7c4dcd1c77d95855d42220e7bbb7a46e 100644 (file)
--- a/src/gromacs/mdlib/forcerec.c
+++ b/src/gromacs/mdlib/forcerec.c
@@ -585,10 +585,6 @@ check_solvent(FILE  *                fp,
         bestsol = esolNO;
     }
 
-#ifdef DISABLE_WATER_NLIST
-    bestsol = esolNO;
-#endif
-
     fr->nWatMol = 0;
     for (mb = 0; mb < mtop->nmolblock; mb++)
     {

diff --git a/src/gromacs/mdlib/ns.c b/src/gromacs/mdlib/ns.c
index f9ec98676e8d1af0ed0c3c49926f8242cb345176..c48134c8d5ca8ae4da9a1c21f4810edc2c31a4a5 100644 (file)
--- a/src/gromacs/mdlib/ns.c
+++ b/src/gromacs/mdlib/ns.c
@@ -289,11 +289,8 @@ void init_neighbor_list(FILE *log, t_forcerec *fr, int homenr)
         /* Did we get the solvent loops so we can use optimized water kernels? */
         if (nbl->nlist_sr[eNL_VDWQQ_WATER].kernelptr_vf == NULL
             || nbl->nlist_sr[eNL_QQ_WATER].kernelptr_vf == NULL
-#ifndef DISABLE_WATERWATER_NLIST
             || nbl->nlist_sr[eNL_VDWQQ_WATERWATER].kernelptr_vf == NULL
-            || nbl->nlist_sr[eNL_QQ_WATERWATER].kernelptr_vf == NULL
-#endif
-            )
+            || nbl->nlist_sr[eNL_QQ_WATERWATER].kernelptr_vf == NULL)
         {
             fr->solvent_opt = esolNO;
             if (log != NULL)
@@ -666,13 +663,11 @@ put_in_list_at(gmx_bool              bHaveVdW[],
 
     if (iwater != esolNO)
     {
-        vdwc = &nlist[eNL_VDWQQ_WATER];
-        vdw  = &nlist[eNL_VDW];
-        coul = &nlist[eNL_QQ_WATER];
-#ifndef DISABLE_WATERWATER_NLIST
+        vdwc    = &nlist[eNL_VDWQQ_WATER];
+        vdw     = &nlist[eNL_VDW];
+        coul    = &nlist[eNL_QQ_WATER];
         vdwc_ww = &nlist[eNL_VDWQQ_WATERWATER];
         coul_ww = &nlist[eNL_QQ_WATERWATER];
-#endif
     }
     else
     {
@@ -692,9 +687,7 @@ put_in_list_at(gmx_bool              bHaveVdW[],
             if (bDoCoul && bDoVdW)
             {
                 new_i_nblist(vdwc, i_atom, shift, gid);
-#ifndef DISABLE_WATERWATER_NLIST
                 new_i_nblist(vdwc_ww, i_atom, shift, gid);
-#endif
             }
             if (bDoVdW)
             {
@@ -703,9 +696,7 @@ put_in_list_at(gmx_bool              bHaveVdW[],
             if (bDoCoul)
             {
                 new_i_nblist(coul, i_atom, shift, gid);
-#ifndef DISABLE_WATERWATER_NLIST
                 new_i_nblist(coul_ww, i_atom, shift, gid);
-#endif
             }
             /* Loop over the j charge groups */
             for (j = 0; (j < nj); j++)
@@ -730,19 +721,6 @@ put_in_list_at(gmx_bool              bHaveVdW[],
                     }
                     else
                     {
-#ifdef DISABLE_WATERWATER_NLIST
-                        /* Add entries for the three atoms - only do VdW if we need to */
-                        if (!bDoVdW)
-                        {
-                            add_j_to_nblist(coul, jj0, bLR);
-                        }
-                        else
-                        {
-                            add_j_to_nblist(vdwc, jj0, bLR);
-                        }
-                        add_j_to_nblist(coul, jj0+1, bLR);
-                        add_j_to_nblist(coul, jj0+2, bLR);
-#else
                         /* One entry for the entire water-water interaction */
                         if (!bDoVdW)
                         {
@@ -752,7 +730,6 @@ put_in_list_at(gmx_bool              bHaveVdW[],
                         {
                             add_j_to_nblist(vdwc_ww, jj0, bLR);
                         }
-#endif
                     }
                 }
                 else if (iwater == esolTIP4P && jwater == esolTIP4P)
@@ -765,16 +742,6 @@ put_in_list_at(gmx_bool              bHaveVdW[],
                     }
                     else
                     {
-#ifdef DISABLE_WATERWATER_NLIST
-                        /* Add entries for the four atoms - only do VdW if we need to */
-                        if (bDoVdW)
-                        {
-                            add_j_to_nblist(vdw, jj0, bLR);
-                        }
-                        add_j_to_nblist(coul, jj0+1, bLR);
-                        add_j_to_nblist(coul, jj0+2, bLR);
-                        add_j_to_nblist(coul, jj0+3, bLR);
-#else
                         /* One entry for the entire water-water interaction */
                         if (!bDoVdW)
                         {
@@ -784,7 +751,6 @@ put_in_list_at(gmx_bool              bHaveVdW[],
                         {
                             add_j_to_nblist(vdwc_ww, jj0, bLR);
                         }
-#endif
                     }
                 }
                 else
@@ -845,10 +811,8 @@ put_in_list_at(gmx_bool              bHaveVdW[],
             close_i_nblist(vdw);
             close_i_nblist(coul);
             close_i_nblist(vdwc);
-#ifndef DISABLE_WATERWATER_NLIST
             close_i_nblist(coul_ww);
             close_i_nblist(vdwc_ww);
-#endif
         }
         else
         {