Remove unnecessary config.h includes

[alexxy/gromacs.git] / src / gromacs / mdlib / domdec_setup.c

diff --git a/src/gromacs/mdlib/domdec_setup.c b/src/gromacs/mdlib/domdec_setup.c
index 5056a97e85472c5d4a1a41df2c27fa29f048dbd8..5caa68a9b58508750b040a2e4140d07cb00c1d48 100644 (file)
--- a/src/gromacs/mdlib/domdec_setup.c
+++ b/src/gromacs/mdlib/domdec_setup.c
@@ -33,21 +33,18 @@
  * the research papers on the package. Check out http://www.gromacs.org.
  */
 
-#ifdef HAVE_CONFIG_H
-#include <config.h>
-#endif
+#include "gmxpre.h"
 
 #include <stdio.h>
 #include <assert.h>
-#include "domdec.h"
-#include "types/commrec.h"
-#include "network.h"
-#include "perf_est.h"
-#include "physics.h"
+#include "gromacs/legacyheaders/domdec.h"
+#include "gromacs/legacyheaders/types/commrec.h"
+#include "gromacs/legacyheaders/network.h"
+#include "gromacs/legacyheaders/perf_est.h"
 #include "gromacs/utility/smalloc.h"
-#include "typedefs.h"
-#include "vec.h"
-#include "names.h"
+#include "gromacs/legacyheaders/typedefs.h"
+#include "gromacs/math/vec.h"
+#include "gromacs/legacyheaders/names.h"
 
 /* Margin for setting up the DD grid */
 #define DD_GRID_MARGIN_PRES_SCALE 1.05
@@ -218,8 +215,8 @@ static int guess_npme(FILE *fplog, gmx_mtop_t *mtop, t_inputrec *ir, matrix box,
     }
     if (npme > nnodes/2)
     {
-        gmx_fatal(FARGS, "Could not find an appropriate number of separate PME nodes. i.e. >= %5f*#nodes (%d) and <= #nodes/2 (%d) and reasonable performance wise (grid_x=%d, grid_y=%d).\n"
-                  "Use the -npme option of mdrun or change the number of processors or the PME grid dimensions, see the manual for details.",
+        gmx_fatal(FARGS, "Could not find an appropriate number of separate PME ranks. i.e. >= %5f*#ranks (%d) and <= #ranks/2 (%d) and reasonable performance wise (grid_x=%d, grid_y=%d).\n"
+                  "Use the -npme option of mdrun or change the number of ranks or the PME grid dimensions, see the manual for details.",
                   ratio, (int)(0.95*ratio*nnodes+0.5), nnodes/2, ir->nkx, ir->nky);
         /* Keep the compiler happy */
         npme = 0;
@@ -229,12 +226,12 @@ static int guess_npme(FILE *fplog, gmx_mtop_t *mtop, t_inputrec *ir, matrix box,
         if (fplog)
         {
             fprintf(fplog,
-                    "Will use %d particle-particle and %d PME only nodes\n"
+                    "Will use %d particle-particle and %d PME only ranks\n"
                     "This is a guess, check the performance at the end of the log file\n",
                     nnodes-npme, npme);
         }
         fprintf(stderr, "\n"
-                "Will use %d particle-particle and %d PME only nodes\n"
+                "Will use %d particle-particle and %d PME only ranks\n"
                 "This is a guess, check the performance at the end of the log file\n",
                 nnodes-npme, npme);
     }
@@ -699,12 +696,12 @@ real dd_choose_grid(FILE *fplog,
                 if (cr->nnodes <= 2)
                 {
                     gmx_fatal(FARGS,
-                              "Can not have separate PME nodes with 2 or less nodes");
+                              "Cannot have separate PME ranks with 2 or fewer ranks");
                 }
                 if (cr->npmenodes >= cr->nnodes)
                 {
                     gmx_fatal(FARGS,
-                              "Can not have %d separate PME nodes with just %d total nodes",
+                              "Cannot have %d separate PME ranks with just %d total ranks",
                               cr->npmenodes, cr->nnodes);
                 }
 
@@ -725,7 +722,7 @@ real dd_choose_grid(FILE *fplog,
             /* Check if the largest divisor is more than nnodes^2/3 */
             if (ldiv*ldiv*ldiv > nnodes_div*nnodes_div)
             {
-                gmx_fatal(FARGS, "The number of nodes you selected (%d) contains a large prime factor %d. In most cases this will lead to bad performance. Choose a number with smaller prime factors or set the decomposition (option -dd) manually.",
+                gmx_fatal(FARGS, "The number of ranks you selected (%d) contains a large prime factor %d. In most cases this will lead to bad performance. Choose a number with smaller prime factors or set the decomposition (option -dd) manually.",
                           nnodes_div, ldiv);
             }
         }
@@ -740,7 +737,7 @@ real dd_choose_grid(FILE *fplog,
                     cr->npmenodes = 0;
                     if (fplog)
                     {
-                        fprintf(fplog, "Using %d separate PME nodes, as there are too few total\n nodes for efficient splitting\n", cr->npmenodes);
+                        fprintf(fplog, "Using %d separate PME ranks, as there are too few total\n ranks for efficient splitting\n", cr->npmenodes);
                     }
                 }
                 else
@@ -748,7 +745,7 @@ real dd_choose_grid(FILE *fplog,
                     cr->npmenodes = guess_npme(fplog, mtop, ir, box, cr->nnodes);
                     if (fplog)
                     {
-                        fprintf(fplog, "Using %d separate PME nodes, as guessed by mdrun\n", cr->npmenodes);
+                        fprintf(fplog, "Using %d separate PME ranks, as guessed by mdrun\n", cr->npmenodes);
                     }
                 }
             }
@@ -756,7 +753,7 @@ real dd_choose_grid(FILE *fplog,
             {
                 if (fplog)
                 {
-                    fprintf(fplog, "Using %d separate PME nodes, per user request\n", cr->npmenodes);
+                    fprintf(fplog, "Using %d separate PME ranks, per user request\n", cr->npmenodes);
                 }
             }
         }