Remove obsolete dd_get_ns_ranges()

Change-Id: Id64f2d51d6684cf4c22ebd770963cc69f7af087b

diff --git a/src/gromacs/domdec/domdec.cpp b/src/gromacs/domdec/domdec.cpp
index 80180c8113dad1851c062d88fb7716acc96f105c..94cb3544509d69958529ecf9801829a57a3c2e42 100644 (file)
--- a/src/gromacs/domdec/domdec.cpp
+++ b/src/gromacs/domdec/domdec.cpp
@@ -234,50 +234,6 @@ gmx_domdec_zones_t *domdec_zones(gmx_domdec_t *dd)
     return &dd->comm->zones;
 }
 
-void dd_get_ns_ranges(const gmx_domdec_t *dd, int icg,
-                      int *jcg0, int *jcg1, ivec shift0, ivec shift1)
-{
-    gmx_domdec_zones_t *zones;
-    int                 izone, d, dim;
-
-    zones = &dd->comm->zones;
-
-    izone = 0;
-    while (icg >= zones->izone[izone].cg1)
-    {
-        izone++;
-    }
-
-    if (izone == 0)
-    {
-        *jcg0 = icg;
-    }
-    else if (izone < zones->nizone)
-    {
-        *jcg0 = zones->izone[izone].jcg0;
-    }
-    else
-    {
-        gmx_fatal(FARGS, "DD icg %d out of range: izone (%d) >= nizone (%d)",
-                  icg, izone, zones->nizone);
-    }
-
-    *jcg1 = zones->izone[izone].jcg1;
-
-    for (d = 0; d < dd->ndim; d++)
-    {
-        dim         = dd->dim[d];
-        shift0[dim] = zones->izone[izone].shift0[dim];
-        shift1[dim] = zones->izone[izone].shift1[dim];
-        if (dd->comm->tric_dir[dim] || (isDlbOn(dd->comm) && d > 0))
-        {
-            /* A conservative approach, this can be optimized */
-            shift0[dim] -= 1;
-            shift1[dim] += 1;
-        }
-    }
-}
-
 int dd_numHomeAtoms(const gmx_domdec_t &dd)
 {
     return dd.comm->atomRanges.numHomeAtoms();

diff --git a/src/gromacs/domdec/domdec.h b/src/gromacs/domdec/domdec.h
index 206c4a065b1c2f14084310d9599af9fb34cb0370..fee0a30ba1bf0818241c0a74b7f21b60a0853aa4 100644 (file)
--- a/src/gromacs/domdec/domdec.h
+++ b/src/gromacs/domdec/domdec.h
@@ -114,10 +114,6 @@ void dd_store_state(struct gmx_domdec_t *dd, t_state *state);
 /*! \brief Returns a pointer to the gmx_domdec_zones_t struct */
 struct gmx_domdec_zones_t *domdec_zones(struct gmx_domdec_t *dd);
 
-/*! \brief Sets the j-charge-group range for i-charge-group \p icg */
-void dd_get_ns_ranges(const gmx_domdec_t *dd, int icg,
-                      int *jcg0, int *jcg1, ivec shift0, ivec shift1);
-
 /*! \brief Returns the number of home atoms */
 int dd_numHomeAtoms(const gmx_domdec_t &dd);
 

diff --git a/src/gromacs/domdec/domdec_internal.h b/src/gromacs/domdec/domdec_internal.h
index a635bdebf1d505746f8cb90e6c86d94e6f3c2ce2..36f66a62586761cb5dd4d8aebede50d5829fcb6d 100644 (file)
--- a/src/gromacs/domdec/domdec_internal.h
+++ b/src/gromacs/domdec/domdec_internal.h
@@ -619,8 +619,6 @@ struct gmx_domdec_comm_t // NOLINT (clang-analyzer-optin.performance.Padding)
      */
     real PMELoadBal_max_cutoff = 0;
 
-    /**< tric_dir from \p gmx_ddbox_t is only stored here because dd_get_ns_ranges needs it */
-    ivec tric_dir = { };
     /**< box lower corner, required with dim's without pbc and -gcom */
     rvec box0 = { };
     /**< box size, required with dim's without pbc and -gcom */

diff --git a/src/gromacs/domdec/partition.cpp b/src/gromacs/domdec/partition.cpp
index a2a8a08e833e97925141286eb6713760c95c5a97..e6642598b79b735b830a6c2fd1cb48aabe2b6d3c 100644 (file)
--- a/src/gromacs/domdec/partition.cpp
+++ b/src/gromacs/domdec/partition.cpp
@@ -3025,9 +3025,6 @@ void dd_partition_system(FILE                        *fplog,
         comm_dd_ns_cell_sizes(dd, &ddbox, cell_ns_x0, cell_ns_x1, step);
     }
 
-    /* We need to store tric_dir for dd_get_ns_ranges called from ns.c */
-    copy_ivec(ddbox.tric_dir, comm->tric_dir);
-
     if (bSortCG)
     {
         wallcycle_sub_start(wcycle, ewcsDD_GRID);