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
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  18  * of the License, or (at your option) any later version.
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  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
  40 /*
  41  * This module defines the interface of the actual communication routines.
  42  */
  43
  44 #include <stdio.h>
  45 #include "visibility.h"
  46 #include "types/simple.h"
  47 #include "types/commrec.h"
  48 #include "typedefs.h"
  49 #include "main.h"
  50 #include "gmx_fatal.h"
  51
  52 #ifdef __cplusplus
  53 extern "C" {
  54 #endif
  55
  56 int gmx_setup(int *argc,char **argv,int *nnodes);
  57 /* Initializes the parallel communication, return the ID of the node */
  58
  59 int gmx_node_num(void);
  60 /* return the number of nodes in the ring */
  61
  62 int gmx_node_rank(void);
  63 /* return the rank of the node */
  64
  65 GMX_LIBGMX_EXPORT
  66 int gmx_hostname_num(void);
  67 /* If the first part of the hostname (up to the first dot) ends with a number, returns this number.
  68    If the first part of the hostname does not ends in a number (0-9 characters), returns 0.
  69 */
  70
  71 GMX_LIBGMX_EXPORT
  72 void gmx_setup_nodecomm(FILE *fplog,t_commrec *cr);
  73 /* Sets up fast global communication for clusters with multi-core nodes */
  74
  75 GMX_LIBGMX_EXPORT
  76 void gmx_init_intra_counters(t_commrec *cr);
  77 /* Initializes intra-node process counts and ID. */
  78
  79 gmx_bool gmx_mpi_initialized(void);
  80 /* return TRUE when MPI_Init has been called.
  81  * return FALSE when MPI_Init has not been called OR
  82  * when GROMACS was compiled without MPI support.
  83  */
  84
  85 void gmx_barrier(const t_commrec *cr);
  86 /* Wait till all processes in cr->mpi_comm_mygroup have reached the barrier */
  87
  88 GMX_LIBGMX_EXPORT
  89 void gmx_bcast(int nbytes,void *b,const t_commrec *cr);
  90 /* Broadcast nbytes bytes from the master to cr->mpi_comm_mygroup */
  91
  92 GMX_LIBGMX_EXPORT
  93 void gmx_bcast_sim(int nbytes,void *b,const t_commrec *cr);
  94 /* Broadcast nbytes bytes from the sim master to cr->mpi_comm_mysim */
  95
  96 GMX_LIBGMX_EXPORT
  97 void gmx_sumi(int nr,int r[],const t_commrec *cr);
  98 /* Calculate the global sum of an array of ints */
  99
 100 void gmx_sumli(int nr,gmx_large_int_t r[],const t_commrec *cr);
 101 /* Calculate the global sum of an array of large ints */
 102
 103 GMX_LIBGMX_EXPORT
 104 void gmx_sumf(int nr,float r[],const t_commrec *cr);
 105 /* Calculate the global sum of an array of floats */
 106
 107 GMX_LIBGMX_EXPORT
 108 void gmx_sumd(int nr,double r[],const t_commrec *cr);
 109 /* Calculate the global sum of an array of doubles */
 110
 111 void gmx_sumf_comm(int nr,float r[],MPI_Comm mpi_comm);
 112 /* Calculate the global sum of an array of floats */
 113
 114 void gmx_sumd_comm(int nr,double r[],MPI_Comm mpi_comm);
 115 /* Calculate the global sum of an array of doubles */
 116
 117 GMX_LIBGMX_EXPORT
 118 void gmx_sumi_sim(int nr,int r[],const gmx_multisim_t *ms);
 119 /* Calculate the sum over the simulations of an array of ints */
 120
 121 GMX_LIBGMX_EXPORT
 122 void gmx_sumli_sim(int nr,gmx_large_int_t r[],const gmx_multisim_t *ms);
 123 /* Calculate the sum over the simulations of an array of large ints */
 124
 125 GMX_LIBGMX_EXPORT
 126 void gmx_sumf_sim(int nr,float r[],const gmx_multisim_t *ms);
 127 /* Calculate the sum over the simulations of an array of floats */
 128
 129 void gmx_sumd_sim(int nr,double r[],const gmx_multisim_t *ms);
 130 /* Calculate the sum over the simulations of an array of doubles */
 131
 132 void gmx_abort(int nodeid,int nnodes,int errorno);
 133 /* Abort the parallel run */
 134
 135 GMX_LIBGMX_EXPORT
 136 void gmx_finalize_par(void);
 137 /* Finish the parallel run in an ordered manner */
 138
 139 #ifdef GMX_DOUBLE
 140 #define gmx_sum_comm  gmx_sumd_comm
 141 #define gmx_sum       gmx_sumd
 142 #define gmx_sum_sim   gmx_sumd_sim
 143 #else
 144 #define gmx_sum_comm  gmx_sumf_comm
 145 #define gmx_sum       gmx_sumf
 146 #define gmx_sum_sim   gmx_sumf_sim
 147 #endif
 148
 149 #ifdef DEBUG_GMX
 150 #define debug_gmx() do { FILE *fp=debug ? debug : stderr;\
 151 if (bDebugMode()) fprintf(fp,"NODEID=%d, %s  %d\n",gmx_mpi_initialized() ? gmx_node_rank() : -1,__FILE__,__LINE__); fflush(fp); } while (0)
 152 #else
 153 #define debug_gmx()
 154 #endif
 155
 156 #ifdef __cplusplus
 157 }
 158 #endif
 159
 160
 161 #endif  /* _network_h */