Merge "Merge branch 'release-4-6'"
authorTeemu Murtola <teemu.murtola@gmail.com>
Wed, 29 Jan 2014 05:14:11 +0000 (06:14 +0100)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Wed, 29 Jan 2014 05:14:11 +0000 (06:14 +0100)
1  2 
src/gromacs/mdlib/minimize.c
src/gromacs/mdlib/sim_util.c
src/gromacs/mdlib/tpi.c

index 3f605e6808aaa564d8b353e334a7284c6740ad75,c2e1d3178457378031b84ae4baaa038db204dac7..c9b00c98b69b81ac9fbb16e89d6d0d31053e40fd
@@@ -49,7 -49,7 +49,7 @@@
  #include "main.h"
  #include "force.h"
  #include "macros.h"
 -#include "random.h"
 +#include "gromacs/random/random.h"
  #include "names.h"
  #include "gmx_fatal.h"
  #include "txtdump.h"
@@@ -63,6 -63,7 +63,7 @@@
  #include "force.h"
  #include "mdrun.h"
  #include "md_support.h"
+ #include "sim_util.h"
  #include "domdec.h"
  #include "partdec.h"
  #include "mdatoms.h"
@@@ -107,14 -108,9 +108,9 @@@ static void print_em_start(FIL
                             gmx_wallcycle_t           wcycle,
                             const char               *name)
  {
-     char buf[STRLEN];
      walltime_accounting_start(walltime_accounting);
-     sprintf(buf, "Started %s", name);
-     print_date_and_time(fplog, cr->nodeid, buf, NULL);
      wallcycle_start(wcycle, ewcRUN);
+     print_start(fplog, cr, walltime_accounting, name);
  }
  static void em_time_end(gmx_walltime_accounting_t walltime_accounting,
                          gmx_wallcycle_t           wcycle)
index e5b968a8735ce30fe7cd9697cff12ab8f649074c,73ba243b6b1641515b1dcbed19603851725462f4..251f64e284e1ed77c6b379a8854edb7da49f69eb
@@@ -70,7 -70,7 +70,7 @@@
  #include "constr.h"
  #include "xvgr.h"
  #include "copyrite.h"
 -#include "gmx_random.h"
 +#include "gromacs/random/random.h"
  #include "domdec.h"
  #include "partdec.h"
  #include "genborn.h"
@@@ -180,6 -180,16 +180,16 @@@ void print_date_and_time(FILE *fplog, i
      }
  }
  
+ void print_start(FILE *fplog, t_commrec *cr,
+                  gmx_walltime_accounting_t walltime_accounting,
+                  const char *name)
+ {
+     char buf[STRLEN];
+     sprintf(buf, "Started %s", name);
+     print_date_and_time(fplog, cr->nodeid, buf, walltime_accounting);
+ }
  static void sum_forces(int start, int end, rvec f[], rvec flr[])
  {
      int i;
diff --combined src/gromacs/mdlib/tpi.c
index 190a6cf287461451f4784f18616861c31f5de406,b104b3d390ebae7ef369f159bf132da6e9a0bbae..489a2c958c739937bd15e9230cef472ac062a84f
  #include "chargegroup.h"
  #include "force.h"
  #include "macros.h"
 -#include "random.h"
  #include "names.h"
  #include "gmx_fatal.h"
  #include "txtdump.h"
  #include "typedefs.h"
  #include "update.h"
 -#include "random.h"
  #include "constr.h"
  #include "vec.h"
  #include "tgroup.h"
@@@ -64,7 -66,7 +64,7 @@@
  #include "mdrun.h"
  #include "domdec.h"
  #include "partdec.h"
 -#include "gmx_random.h"
 +#include "gromacs/random/random.h"
  #include "physics.h"
  #include "xvgr.h"
  #include "mdatoms.h"
@@@ -256,10 -258,8 +256,8 @@@ double do_tpi(FILE *fplog, t_commrec *c
  
      /* Print to log file  */
      walltime_accounting_start(walltime_accounting);
-     print_date_and_time(fplog, cr->nodeid,
-                         "Started Test Particle Insertion",
-                         walltime_accounting);
      wallcycle_start(wcycle, ewcRUN);
+     print_start(fplog, cr, walltime_accounting, "Test Particle Insertion");
  
      /* The last charge group is the group to be inserted */
      cg_tp = top->cgs.nr - 1;