include/nrnb.h

   1 /*
   2  *
   3  *                This source code is part of
   4  *
   5  *                 G   R   O   M   A   C   S
   6  *
   7  *          GROningen MAchine for Chemical Simulations
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   9  *                        VERSION 3.2.0
  10  * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
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  12  * Copyright (c) 2001-2004, The GROMACS development team,
  13  * check out http://www.gromacs.org for more information.
  14
  15  * This program is free software; you can redistribute it and/or
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  35
  36 #ifndef _nrnb_h
  37 #define _nrnb_h
  38
  39 #include "typedefs.h"
  40
  41 #ifdef __cplusplus
  42 extern "C" {
  43 #endif
  44
  45 void init_nrnb(t_nrnb *nrnb);
  46
  47 void cp_nrnb(t_nrnb *dest, t_nrnb *src);
  48
  49 void add_nrnb(t_nrnb *dest, t_nrnb *s1, t_nrnb *s2);
  50
  51 void print_nrnb(FILE *out, t_nrnb *nrnb);
  52
  53 void _inc_nrnb(t_nrnb *nrnb,int enr,int inc,char *file,int line);
  54
  55 #if DEBUG_NRNB
  56 #define inc_nrnb(nrnb,enr,inc) _inc_nrnb(nrnb,enr,inc,__FILE__,__LINE__)
  57 #else
  58 #define inc_nrnb(nrnb,enr,inc) (nrnb)->n[enr] += inc
  59 #endif
  60
  61
  62 void print_flop(FILE *out,t_nrnb *nrnb,double *nbfs,double *mflop);
  63 /* Calculates the non-bonded forces and flop count.
  64  * When out!=NULL also prints the full count table.
  65  */
  66
  67 void print_perf(FILE *out,double nodetime,double realtime,int nprocs,
  68                        gmx_large_int_t nsteps,real delta_t,
  69                        double nbfs,double mflop);
  70 /* Prints the performance, nbfs and mflop come from print_flop */
  71
  72 void pr_load(FILE *log,t_commrec *cr,t_nrnb nrnb[]);
  73 /* Print detailed load balancing info */
  74
  75 int cost_nrnb(int enr);
  76 /* Cost in i860 cycles of this component of MD */
  77
  78 const char *nrnb_str(int enr);
  79 /* Name of this component */
  80
  81 #ifdef __cplusplus
  82 }
  83 #endif
  84
  85 #endif  /* _nrnb_h */