include/network.h

   1 /*
   2  * This file is part of the GROMACS molecular simulation package.
   3  *
   4  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
   5  * Copyright (c) 2001-2004, The GROMACS development team,
   6  * check out http://www.gromacs.org for more information.
   7  * Copyright (c) 2012,2013, by the GROMACS development team, led by
   8  * David van der Spoel, Berk Hess, Erik Lindahl, and including many
   9  * others, as listed in the AUTHORS file in the top-level source
  10  * directory and at http://www.gromacs.org.
  11  *
  12  * GROMACS is free software; you can redistribute it and/or
  13  * modify it under the terms of the GNU Lesser General Public License
  14  * as published by the Free Software Foundation; either version 2.1
  15  * of the License, or (at your option) any later version.
  16  *
  17  * GROMACS is distributed in the hope that it will be useful,
  18  * but WITHOUT ANY WARRANTY; without even the implied warranty of
  19  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
  20  * Lesser General Public License for more details.
  21  *
  22  * You should have received a copy of the GNU Lesser General Public
  23  * License along with GROMACS; if not, see
  24  * http://www.gnu.org/licenses, or write to the Free Software Foundation,
  25  * Inc., 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301  USA.
  26  *
  27  * If you want to redistribute modifications to GROMACS, please
  28  * consider that scientific software is very special. Version
  29  * control is crucial - bugs must be traceable. We will be happy to
  30  * consider code for inclusion in the official distribution, but
  31  * derived work must not be called official GROMACS. Details are found
  32  * in the README & COPYING files - if they are missing, get the
  33  * official version at http://www.gromacs.org.
  34  *
  35  * To help us fund GROMACS development, we humbly ask that you cite
  36  * the research papers on the package. Check out http://www.gromacs.org.
  37  */
  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 /* Ostensibly, returns a integer characteristic of and unique to each
  71    physical node in the MPI system. If the first part of the MPI
  72    hostname (up to the first dot) ends with a number, returns this
  73    number. If the first part of the MPI hostname does not ends in a
  74    number (0-9 characters), returns 0.
  75  */
  76
  77 GMX_LIBGMX_EXPORT
  78 void gmx_setup_nodecomm(FILE *fplog, t_commrec *cr);
  79 /* Sets up fast global communication for clusters with multi-core nodes */
  80
  81 GMX_LIBGMX_EXPORT
  82 void gmx_init_intranode_counters(t_commrec *cr);
  83 /* Initializes intra-physical-node MPI process/thread counts and ID. */
  84
  85 gmx_bool gmx_mpi_initialized(void);
  86 /* return TRUE when MPI_Init has been called.
  87  * return FALSE when MPI_Init has not been called OR
  88  * when GROMACS was compiled without MPI support.
  89  */
  90
  91 void gmx_barrier(const t_commrec *cr);
  92 /* Wait till all processes in cr->mpi_comm_mygroup have reached the barrier */
  93
  94 GMX_LIBGMX_EXPORT
  95 void gmx_bcast(int nbytes, void *b, const t_commrec *cr);
  96 /* Broadcast nbytes bytes from the master to cr->mpi_comm_mygroup */
  97
  98 GMX_LIBGMX_EXPORT
  99 void gmx_bcast_sim(int nbytes, void *b, const t_commrec *cr);
 100 /* Broadcast nbytes bytes from the sim master to cr->mpi_comm_mysim */
 101
 102 GMX_LIBGMX_EXPORT
 103 void gmx_sumi(int nr, int r[], const t_commrec *cr);
 104 /* Calculate the global sum of an array of ints */
 105
 106 void gmx_sumli(int nr, gmx_large_int_t r[], const t_commrec *cr);
 107 /* Calculate the global sum of an array of large ints */
 108
 109 GMX_LIBGMX_EXPORT
 110 void gmx_sumf(int nr, float r[], const t_commrec *cr);
 111 /* Calculate the global sum of an array of floats */
 112
 113 GMX_LIBGMX_EXPORT
 114 void gmx_sumd(int nr, double r[], const t_commrec *cr);
 115 /* Calculate the global sum of an array of doubles */
 116
 117 void gmx_sumf_comm(int nr, float r[], MPI_Comm mpi_comm);
 118 /* Calculate the global sum of an array of floats */
 119
 120 void gmx_sumd_comm(int nr, double r[], MPI_Comm mpi_comm);
 121 /* Calculate the global sum of an array of doubles */
 122
 123 GMX_LIBGMX_EXPORT
 124 void gmx_sumi_sim(int nr, int r[], const gmx_multisim_t *ms);
 125 /* Calculate the sum over the simulations of an array of ints */
 126
 127 GMX_LIBGMX_EXPORT
 128 void gmx_sumli_sim(int nr, gmx_large_int_t r[], const gmx_multisim_t *ms);
 129 /* Calculate the sum over the simulations of an array of large ints */
 130
 131 GMX_LIBGMX_EXPORT
 132 void gmx_sumf_sim(int nr, float r[], const gmx_multisim_t *ms);
 133 /* Calculate the sum over the simulations of an array of floats */
 134
 135 GMX_LIBGMX_EXPORT
 136 void gmx_sumd_sim(int nr, double r[], const gmx_multisim_t *ms);
 137 /* Calculate the sum over the simulations of an array of doubles */
 138
 139 void gmx_abort(int nodeid, int nnodes, int errorno);
 140 /* Abort the parallel run */
 141
 142 GMX_LIBGMX_EXPORT
 143 void gmx_finalize_par(void);
 144 /* Finish the parallel run in an ordered manner */
 145
 146 #ifdef GMX_DOUBLE
 147 #define gmx_sum_comm  gmx_sumd_comm
 148 #define gmx_sum       gmx_sumd
 149 #define gmx_sum_sim   gmx_sumd_sim
 150 #else
 151 #define gmx_sum_comm  gmx_sumf_comm
 152 #define gmx_sum       gmx_sumf
 153 #define gmx_sum_sim   gmx_sumf_sim
 154 #endif
 155
 156 #ifdef DEBUG_GMX
 157 #define debug_gmx() do { FILE *fp = debug ? debug : stderr; \
 158                          if (bDebugMode()) { fprintf(fp, "NODEID=%d, %s  %d\n", gmx_mpi_initialized() ? gmx_node_rank() : -1, __FILE__, __LINE__); } fflush(fp); } while (0)
 159 #else
 160 #define debug_gmx()
 161 #endif
 162
 163 #ifdef __cplusplus
 164 }
 165 #endif
 166
 167
 168 #endif  /* _network_h */