include/nrnb.h

   1 /*
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   5  * Copyright (c) 2001-2004, The GROMACS development team,
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   8  * David van der Spoel, Berk Hess, Erik Lindahl, and including many
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  10  * directory and at http://www.gromacs.org.
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  38
  39 #ifndef _nrnb_h
  40 #define _nrnb_h
  41 #include "visibility.h"
  42 #include "typedefs.h"
  43 #include "types/commrec.h"
  44
  45 #ifdef __cplusplus
  46 extern "C" {
  47 #endif
  48
  49 GMX_LIBGMX_EXPORT
  50 void init_nrnb(t_nrnb *nrnb);
  51
  52 void cp_nrnb(t_nrnb *dest, t_nrnb *src);
  53
  54 void add_nrnb(t_nrnb *dest, t_nrnb *s1, t_nrnb *s2);
  55
  56 GMX_LIBGMX_EXPORT
  57 void print_nrnb(FILE *out, t_nrnb *nrnb);
  58
  59 void _inc_nrnb(t_nrnb *nrnb,int enr,int inc,char *file,int line);
  60
  61 #if DEBUG_NRNB
  62 #define inc_nrnb(nrnb,enr,inc) _inc_nrnb(nrnb,enr,inc,__FILE__,__LINE__)
  63 #else
  64 #define inc_nrnb(nrnb,enr,inc) (nrnb)->n[enr] += inc
  65 #endif
  66
  67
  68 GMX_LIBGMX_EXPORT
  69 void print_flop(FILE *out,t_nrnb *nrnb,double *nbfs,double *mflop);
  70 /* Calculates the non-bonded forces and flop count.
  71  * When out!=NULL also prints the full count table.
  72  */
  73
  74 GMX_LIBGMX_EXPORT
  75 void print_perf(FILE *out,double nodetime,double realtime,int nprocs,
  76                        gmx_large_int_t nsteps,real delta_t,
  77                        double nbfs,double mflop,
  78                        int omp_nth_pp);
  79 /* Prints the performance, nbfs and mflop come from print_flop */
  80
  81 GMX_LIBGMX_EXPORT
  82 void pr_load(FILE *log,t_commrec *cr,t_nrnb nrnb[]);
  83 /* Print detailed load balancing info */
  84
  85 GMX_LIBGMX_EXPORT
  86 int cost_nrnb(int enr);
  87 /* Cost in i860 cycles of this component of MD */
  88
  89 GMX_LIBGMX_EXPORT
  90 const char *nrnb_str(int enr);
  91 /* Name of this component */
  92
  93 #ifdef __cplusplus
  94 }
  95 #endif
  96
  97 #endif  /* _nrnb_h */