include/network.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
  17  * as published by the Free Software Foundation; either version 2
  18  * of the License, or (at your option) any later version.
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  20  * If you want to redistribute modifications, please consider that
  21  * scientific software is very special. Version control is crucial -
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  34  */
  35
  36 #ifndef _network_h
  37 #define _network_h
  38
  39 #ifdef HAVE_CONFIG_H
  40 #include <config.h>
  41 #endif
  42
  43
  44 /*
  45  * This module defines the interface of the actual communication routines.
  46  */
  47
  48 #include <stdio.h>
  49
  50 #include "types/simple.h"
  51 #include "types/commrec.h"
  52 #include "typedefs.h"
  53 #include "main.h"
  54 #include "gmx_fatal.h"
  55
  56 #ifdef __cplusplus
  57 extern "C" {
  58 #endif
  59
  60 extern int gmx_setup(int *argc,char **argv,int *nnodes);
  61 /* Initializes the parallel communication, return the ID of the node */
  62
  63 extern int gmx_node_num(void);
  64 /* return the number of nodes in the ring */
  65
  66 extern int gmx_node_rank(void);
  67 /* return the rank of the node */
  68
  69 extern void gmx_setup_nodecomm(FILE *fplog,t_commrec *cr);
  70 /* Sets up fast global communication for clusters with multi-core nodes */
  71
  72 extern bool gmx_mpi_initialized(void);
  73 /* return TRUE when MPI_Init has been called.
  74  * return FALSE when MPI_Init has not been called OR
  75  * when GROMACS was compiled without MPI support.
  76  */
  77
  78 extern void gmx_barrier(const t_commrec *cr);
  79 /* Wait till all processes in cr->mpi_comm_mygroup have reached the barrier */
  80
  81 extern void gmx_bcast(int nbytes,void *b,const t_commrec *cr);
  82 /* Broadcast nbytes bytes from the master to cr->mpi_comm_mygroup */
  83
  84 extern void gmx_bcast_sim(int nbytes,void *b,const t_commrec *cr);
  85 /* Broadcast nbytes bytes from the sim master to cr->mpi_comm_mysim */
  86
  87 extern void gmx_sumi(int nr,int r[],const t_commrec *cr);
  88 /* Calculate the global sum of an array of ints */
  89
  90 extern void gmx_sumf(int nr,float r[],const t_commrec *cr);
  91 /* Calculate the global sum of an array of floats */
  92
  93 extern void gmx_sumd(int nr,double r[],const t_commrec *cr);
  94 /* Calculate the global sum of an array of doubles */
  95
  96 extern void gmx_sumf_comm(int nr,float r[],MPI_Comm mpi_comm);
  97 /* Calculate the global sum of an array of floats */
  98
  99 extern void gmx_sumd_comm(int nr,double r[],MPI_Comm mpi_comm);
 100 /* Calculate the global sum of an array of doubles */
 101
 102 extern void gmx_sumi_sim(int nr,int r[],const gmx_multisim_t *ms);
 103 /* Calculate the sum over the simulations of an array of ints */
 104
 105 extern void gmx_sumf_sim(int nr,float r[],const gmx_multisim_t *ms);
 106 /* Calculate the sum over the simulations of an array of floats */
 107
 108 extern void gmx_sumd_sim(int nr,double r[],const gmx_multisim_t *ms);
 109 /* Calculate the sum over the simulations of an array of doubles */
 110
 111 extern void gmx_abort(int nodeid,int nnodes,int errorno);
 112 /* Abort the parallel run */
 113
 114 extern void gmx_finalize(void);
 115
 116 /* Finish the parallel run in an ordered manner */
 117
 118 #ifdef GMX_DOUBLE
 119 #define gmx_sum_comm  gmx_sumd_comm
 120 #define gmx_sum       gmx_sumd
 121 #define gmx_sum_sim   gmx_sumd_sim
 122 #else
 123 #define gmx_sum_comm  gmx_sumf_comm
 124 #define gmx_sum       gmx_sumf
 125 #define gmx_sum_sim   gmx_sumf_sim
 126 #endif
 127
 128 #ifdef DEBUG_GMX
 129 #define debug_gmx() do { FILE *fp=debug ? debug : stderr;\
 130 if (bDebugMode()) fprintf(fp,"NODEID=%d, %s  %d\n",gmx_mpi_initialized() ? gmx_node_rank() : -1,__FILE__,__LINE__); fflush(fp); } while (0)
 131 #else
 132 #define debug_gmx()
 133 #endif
 134
 135 #ifdef __cplusplus
 136 }
 137 #endif
 138
 139
 140 #endif  /* _network_h */