include/network.h

   1 /*
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  38
  39 #ifndef _network_h
  40 #define _network_h
  41
  42
  43 /*
  44  * This module defines the interface of the actual communication routines.
  45  */
  46
  47 #include <stdio.h>
  48 #include "visibility.h"
  49 #include "types/simple.h"
  50 #include "types/commrec.h"
  51 #include "typedefs.h"
  52 #include "main.h"
  53 #include "gmx_fatal.h"
  54
  55 #ifdef __cplusplus
  56 extern "C" {
  57 #endif
  58
  59 int gmx_setup(int *argc, char **argv, int *nnodes);
  60 /* Initializes the parallel communication, return the ID of the node */
  61
  62 int gmx_node_num(void);
  63 /* return the number of nodes in the ring */
  64
  65 int gmx_node_rank(void);
  66 /* return the rank of the node */
  67
  68 GMX_LIBGMX_EXPORT
  69 int gmx_hostname_num(void);
  70 /* If the first part of the hostname (up to the first dot) ends with a number, returns this number.
  71    If the first part of the hostname does not ends in a number (0-9 characters), returns 0.
  72  */
  73
  74 GMX_LIBGMX_EXPORT
  75 void gmx_setup_nodecomm(FILE *fplog, t_commrec *cr);
  76 /* Sets up fast global communication for clusters with multi-core nodes */
  77
  78 GMX_LIBGMX_EXPORT
  79 void gmx_init_intranode_counters(t_commrec *cr);
  80 /* Initializes intra-physical-node MPI process/thread counts and ID. */
  81
  82 gmx_bool gmx_mpi_initialized(void);
  83 /* return TRUE when MPI_Init has been called.
  84  * return FALSE when MPI_Init has not been called OR
  85  * when GROMACS was compiled without MPI support.
  86  */
  87
  88 void gmx_barrier(const t_commrec *cr);
  89 /* Wait till all processes in cr->mpi_comm_mygroup have reached the barrier */
  90
  91 GMX_LIBGMX_EXPORT
  92 void gmx_bcast(int nbytes, void *b, const t_commrec *cr);
  93 /* Broadcast nbytes bytes from the master to cr->mpi_comm_mygroup */
  94
  95 GMX_LIBGMX_EXPORT
  96 void gmx_bcast_sim(int nbytes, void *b, const t_commrec *cr);
  97 /* Broadcast nbytes bytes from the sim master to cr->mpi_comm_mysim */
  98
  99 GMX_LIBGMX_EXPORT
 100 void gmx_sumi(int nr, int r[], const t_commrec *cr);
 101 /* Calculate the global sum of an array of ints */
 102
 103 void gmx_sumli(int nr, gmx_large_int_t r[], const t_commrec *cr);
 104 /* Calculate the global sum of an array of large ints */
 105
 106 GMX_LIBGMX_EXPORT
 107 void gmx_sumf(int nr, float r[], const t_commrec *cr);
 108 /* Calculate the global sum of an array of floats */
 109
 110 GMX_LIBGMX_EXPORT
 111 void gmx_sumd(int nr, double r[], const t_commrec *cr);
 112 /* Calculate the global sum of an array of doubles */
 113
 114 void gmx_sumf_comm(int nr, float r[], MPI_Comm mpi_comm);
 115 /* Calculate the global sum of an array of floats */
 116
 117 void gmx_sumd_comm(int nr, double r[], MPI_Comm mpi_comm);
 118 /* Calculate the global sum of an array of doubles */
 119
 120 GMX_LIBGMX_EXPORT
 121 void gmx_sumi_sim(int nr, int r[], const gmx_multisim_t *ms);
 122 /* Calculate the sum over the simulations of an array of ints */
 123
 124 GMX_LIBGMX_EXPORT
 125 void gmx_sumli_sim(int nr, gmx_large_int_t r[], const gmx_multisim_t *ms);
 126 /* Calculate the sum over the simulations of an array of large ints */
 127
 128 GMX_LIBGMX_EXPORT
 129 void gmx_sumf_sim(int nr, float r[], const gmx_multisim_t *ms);
 130 /* Calculate the sum over the simulations of an array of floats */
 131
 132 GMX_LIBGMX_EXPORT
 133 void gmx_sumd_sim(int nr, double r[], const gmx_multisim_t *ms);
 134 /* Calculate the sum over the simulations of an array of doubles */
 135
 136 void gmx_abort(int nodeid, int nnodes, int errorno);
 137 /* Abort the parallel run */
 138
 139 GMX_LIBGMX_EXPORT
 140 void gmx_finalize_par(void);
 141 /* Finish the parallel run in an ordered manner */
 142
 143 #ifdef GMX_DOUBLE
 144 #define gmx_sum_comm  gmx_sumd_comm
 145 #define gmx_sum       gmx_sumd
 146 #define gmx_sum_sim   gmx_sumd_sim
 147 #else
 148 #define gmx_sum_comm  gmx_sumf_comm
 149 #define gmx_sum       gmx_sumf
 150 #define gmx_sum_sim   gmx_sumf_sim
 151 #endif
 152
 153 #ifdef DEBUG_GMX
 154 #define debug_gmx() do { FILE *fp = debug ? debug : stderr; \
 155                          if (bDebugMode()) { fprintf(fp, "NODEID=%d, %s  %d\n", gmx_mpi_initialized() ? gmx_node_rank() : -1, __FILE__, __LINE__); } fflush(fp); } while (0)
 156 #else
 157 #define debug_gmx()
 158 #endif
 159
 160 #ifdef __cplusplus
 161 }
 162 #endif
 163
 164
 165 #endif  /* _network_h */