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.
  19  *
  20  * If you want to redistribute modifications, please consider that
  21  * scientific software is very special. Version control is crucial -
  22  * bugs must be traceable. We will be happy to consider code for
  23  * inclusion in the official distribution, but derived work must not
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  25  * files - if they are missing, get the official version at www.gromacs.org.
  26  *
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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 #ifdef GMX_LIB_MPI
  51 #include <mpi.h>
  52 #endif
  53 #ifdef GMX_THREADS
  54 #include "tmpi.h"
  55 #endif
  56
  57 #include "typedefs.h"
  58 #include "main.h"
  59 #include "gmx_fatal.h"
  60
  61 #ifdef __cplusplus
  62 extern "C" {
  63 #endif
  64
  65 extern int gmx_setup(int *argc,char **argv,int *nnodes);
  66 /* Initializes the parallel communication, return the ID of the node */
  67
  68 extern int gmx_node_num(void);
  69 /* return the number of nodes in the ring */
  70
  71 extern int gmx_node_rank(void);
  72 /* return the rank of the node */
  73
  74 extern void gmx_setup_nodecomm(FILE *fplog,t_commrec *cr);
  75 /* Sets up fast global communication for clusters with multi-core nodes */
  76
  77 extern bool gmx_mpi_initialized(void);
  78 /* return TRUE when MPI_Init has been called.
  79  * return FALSE when MPI_Init has not been called OR
  80  * when GROMACS was compiled without MPI support.
  81  */
  82
  83 extern void gmx_barrier(const t_commrec *cr);
  84 /* Wait till all processes in cr->mpi_comm_mygroup have reached the barrier */
  85
  86 extern void gmx_bcast(int nbytes,void *b,const t_commrec *cr);
  87 /* Broadcast nbytes bytes from the master to cr->mpi_comm_mygroup */
  88
  89 extern void gmx_bcast_sim(int nbytes,void *b,const t_commrec *cr);
  90 /* Broadcast nbytes bytes from the sim master to cr->mpi_comm_mysim */
  91
  92 extern void gmx_sumi(int nr,int r[],const t_commrec *cr);
  93 /* Calculate the global sum of an array of ints */
  94
  95 extern void gmx_sumf(int nr,float r[],const t_commrec *cr);
  96 /* Calculate the global sum of an array of floats */
  97
  98 extern void gmx_sumd(int nr,double r[],const t_commrec *cr);
  99 /* Calculate the global sum of an array of doubles */
 100
 101 #ifdef GMX_MPI
 102 extern void gmx_sumf_comm(int nr,float r[],MPI_Comm mpi_comm);
 103 /* Calculate the global sum of an array of floats */
 104
 105 extern void gmx_sumd_comm(int nr,double r[],MPI_Comm mpi_comm);
 106 /* Calculate the global sum of an array of doubles */
 107 #endif
 108
 109 extern void gmx_sumi_sim(int nr,int r[],const gmx_multisim_t *ms);
 110 /* Calculate the sum over the simulations of an array of ints */
 111
 112 extern void gmx_sumf_sim(int nr,float r[],const gmx_multisim_t *ms);
 113 /* Calculate the sum over the simulations of an array of floats */
 114
 115 extern void gmx_sumd_sim(int nr,double r[],const gmx_multisim_t *ms);
 116 /* Calculate the sum over the simulations of an array of doubles */
 117
 118 extern void gmx_abort(int nodeid,int nnodes,int errorno);
 119 /* Abort the parallel run */
 120
 121 extern void gmx_finalize(void);
 122
 123 /* Finish the parallel run in an ordered manner */
 124
 125 #ifdef GMX_DOUBLE
 126 #define gmx_sum_comm  gmx_sumd_comm
 127 #define gmx_sum       gmx_sumd
 128 #define gmx_sum_sim   gmx_sumd_sim
 129 #else
 130 #define gmx_sum_comm  gmx_sumf_comm
 131 #define gmx_sum       gmx_sumf
 132 #define gmx_sum_sim   gmx_sumf_sim
 133 #endif
 134
 135 #ifdef DEBUG_GMX
 136 #define debug_gmx() do { FILE *fp=debug ? debug : stderr;\
 137 if (bDebugMode()) fprintf(fp,"NODEID=%d, %s  %d\n",gmx_mpi_initialized() ? gmx_node_rank() : -1,__FILE__,__LINE__); fflush(fp); } while (0)
 138 #else
 139 #define debug_gmx()
 140 #endif
 141
 142 #ifdef __cplusplus
 143 }
 144 #endif
 145
 146
 147 #endif  /* _network_h */