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
   8  *
   9  *                        VERSION 3.2.0
  10  * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
  11  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  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
  16  * modify it under the terms of the GNU General Public License
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  35
  36 #ifndef _nrnb_h
  37 #define _nrnb_h
  38
  39 #ifdef HAVE_CONFIG_H
  40 #include <config.h>
  41 #endif
  42
  43 #include "typedefs.h"
  44
  45 #ifdef __cplusplus
  46 extern "C" {
  47 #endif
  48
  49 extern void init_nrnb(t_nrnb *nrnb);
  50
  51 extern void cp_nrnb(t_nrnb *dest, t_nrnb *src);
  52
  53 extern void add_nrnb(t_nrnb *dest, t_nrnb *s1, t_nrnb *s2);
  54
  55 extern void print_nrnb(FILE *out, t_nrnb *nrnb);
  56
  57 extern void _inc_nrnb(t_nrnb *nrnb,int enr,int inc,char *file,int line);
  58
  59 #if DEBUG_NRNB
  60 #define inc_nrnb(nrnb,enr,inc) _inc_nrnb(nrnb,enr,inc,__FILE__,__LINE__)
  61 #else
  62 #define inc_nrnb(nrnb,enr,inc) (nrnb)->n[enr] += inc
  63 #endif
  64
  65
  66 extern void print_flop(FILE *out,t_nrnb *nrnb,double *nbfs,double *mflop);
  67 /* Calculates the non-bonded forces and flop count.
  68  * When out!=NULL also prints the full count table.
  69  */
  70
  71 extern void print_perf(FILE *out,double nodetime,double realtime,int nprocs,
  72                        gmx_large_int_t nsteps,real delta_t,
  73                        double nbfs,double mflop);
  74 /* Prints the performance, nbfs and mflop come from print_flop */
  75
  76 extern void pr_load(FILE *log,t_commrec *cr,t_nrnb nrnb[]);
  77 /* Print detailed load balancing info */
  78
  79 extern int cost_nrnb(int enr);
  80 /* Cost in i860 cycles of this component of MD */
  81
  82 extern const char *nrnb_str(int enr);
  83 /* Name of this component */
  84
  85 #ifdef __cplusplus
  86 }
  87 #endif
  88
  89 #endif  /* _nrnb_h */