Added prototypes for functions in md_support.c to mdrun.h

This fixes a number of build warnings (that are really bugs).

diff --git a/include/mdrun.h b/include/mdrun.h
index e6a3ba14385adfeca2851e97bbc19f79b1bebf95..d30fb0c952ce819e71853191778f9c1ffd4aea62 100644 (file)
--- a/include/mdrun.h
+++ b/include/mdrun.h
@@ -176,6 +176,8 @@ gmx_integrator_t do_md;
 
 gmx_integrator_t do_md_openmm;
 
+
+
 /* ROUTINES from minimize.c */
 
 gmx_integrator_t do_steep;
@@ -196,6 +198,39 @@ gmx_integrator_t do_tpi;
 /* Do test particle insertion */
 
 
+/* ROUTINES from md_support.c */
+
+/* return the number of steps between global communcations */
+int check_nstglobalcomm(FILE *fplog,t_commrec *cr,
+                        int nstglobalcomm,t_inputrec *ir);
+
+/* check whether an 'nst'-style parameter p is a multiple of nst, and
+   set it to be one if not, with a warning. */
+void check_nst_param(FILE *fplog,t_commrec *cr,
+                     const char *desc_nst,int nst,
+                     const char *desc_p,int *p);
+
+/* check which of the multisim simulations has the shortest number of
+   steps and return that number of nsteps */
+gmx_large_int_t get_multisim_nsteps(const t_commrec *cr,
+                                    gmx_large_int_t nsteps);
+
+void rerun_parallel_comm(t_commrec *cr,t_trxframe *fr,
+                         gmx_bool *bNotLastFrame);
+
+/* get the conserved energy associated with the ensemble type*/
+real compute_conserved_from_auxiliary(t_inputrec *ir, t_state *state,           
+                                      t_extmass *MassQ);
+
+/* reset all cycle and time counters. */
+void reset_all_counters(FILE *fplog,t_commrec *cr,
+                        gmx_large_int_t step,
+                        gmx_large_int_t *step_rel,t_inputrec *ir,
+                        gmx_wallcycle_t wcycle,t_nrnb *nrnb,
+                        gmx_runtime_t *runtime);
+
+
+
 /* ROUTINES from sim_util.c */
 void do_pbc_first(FILE *log,matrix box,t_forcerec *fr,
                         t_graph *graph,rvec x[]);
@@ -206,6 +241,7 @@ void do_pbc_first_mtop(FILE *fplog,int ePBC,matrix box,
 void do_pbc_mtop(FILE *fplog,int ePBC,matrix box,
                        gmx_mtop_t *mtop,rvec x[]);
 
+
                     
 /* ROUTINES from stat.c */
 gmx_global_stat_t global_stat_init(t_inputrec *ir);

diff --git a/src/mdlib/md_support.c b/src/mdlib/md_support.c
index e7fed7f26e4eb9a4ea14b0889c26a1a7af702f1a..1b8eeded05c0440e89f72130d18b340c0987bc3a 100644 (file)
--- a/src/mdlib/md_support.c
+++ b/src/mdlib/md_support.c
@@ -45,6 +45,8 @@
 #include "typedefs.h"
 #include "smalloc.h"
 #include "mdrun.h"
+#include "domdec.h"
+#include "mtop_util.h"
 #include "gmx_wallcycle.h"
 #include "vcm.h"
 #include "nrnb.h"