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/*
*
* This source code is part of
*
* G R O M A C S
*
* GROningen MAchine for Chemical Simulations
*
* VERSION 3.2.0
* Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team,
* check out http://www.gromacs.org for more information.
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* of the License, or (at your option) any later version.
*
* If you want to redistribute modifications, please consider that
* scientific software is very special. Version control is crucial -
* bugs must be traceable. We will be happy to consider code for
* inclusion in the official distribution, but derived work must not
* be called official GROMACS. Details are found in the README & COPYING
* files - if they are missing, get the official version at www.gromacs.org.
*
* To help us fund GROMACS development, we humbly ask that you cite
* the papers on the package - you can find them in the top README file.
*
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
* Gromacs Runs On Most of All Computer Systems
*/
#ifndef _network_h
#define _network_h
/*
* This module defines the interface of the actual communication routines.
*/
#include <stdio.h>
#include "types/simple.h"
#include "types/commrec.h"
#include "typedefs.h"
#include "main.h"
#include "gmx_fatal.h"
#ifdef __cplusplus
extern "C" {
#endif
int gmx_setup(int *argc,char **argv,int *nnodes);
/* Initializes the parallel communication, return the ID of the node */
int gmx_node_num(void);
/* return the number of nodes in the ring */
int gmx_node_rank(void);
/* return the rank of the node */
void gmx_setup_nodecomm(FILE *fplog,t_commrec *cr);
/* Sets up fast global communication for clusters with multi-core nodes */
gmx_bool gmx_mpi_initialized(void);
/* return TRUE when MPI_Init has been called.
* return FALSE when MPI_Init has not been called OR
* when GROMACS was compiled without MPI support.
*/
void gmx_barrier(const t_commrec *cr);
/* Wait till all processes in cr->mpi_comm_mygroup have reached the barrier */
void gmx_bcast(int nbytes,void *b,const t_commrec *cr);
/* Broadcast nbytes bytes from the master to cr->mpi_comm_mygroup */
void gmx_bcast_sim(int nbytes,void *b,const t_commrec *cr);
/* Broadcast nbytes bytes from the sim master to cr->mpi_comm_mysim */
void gmx_sumi(int nr,int r[],const t_commrec *cr);
/* Calculate the global sum of an array of ints */
void gmx_sumli(int nr,gmx_large_int_t r[],const t_commrec *cr);
/* Calculate the global sum of an array of large ints */
void gmx_sumf(int nr,float r[],const t_commrec *cr);
/* Calculate the global sum of an array of floats */
void gmx_sumd(int nr,double r[],const t_commrec *cr);
/* Calculate the global sum of an array of doubles */
void gmx_sumf_comm(int nr,float r[],MPI_Comm mpi_comm);
/* Calculate the global sum of an array of floats */
void gmx_sumd_comm(int nr,double r[],MPI_Comm mpi_comm);
/* Calculate the global sum of an array of doubles */
void gmx_sumi_sim(int nr,int r[],const gmx_multisim_t *ms);
/* Calculate the sum over the simulations of an array of ints */
void gmx_sumli_sim(int nr,gmx_large_int_t r[],const gmx_multisim_t *ms);
/* Calculate the sum over the simulations of an array of large ints */
void gmx_sumf_sim(int nr,float r[],const gmx_multisim_t *ms);
/* Calculate the sum over the simulations of an array of floats */
void gmx_sumd_sim(int nr,double r[],const gmx_multisim_t *ms);
/* Calculate the sum over the simulations of an array of doubles */
void gmx_abort(int nodeid,int nnodes,int errorno);
/* Abort the parallel run */
void gmx_finalize(void);
/* Finish the parallel run in an ordered manner */
#ifdef GMX_DOUBLE
#define gmx_sum_comm gmx_sumd_comm
#define gmx_sum gmx_sumd
#define gmx_sum_sim gmx_sumd_sim
#else
#define gmx_sum_comm gmx_sumf_comm
#define gmx_sum gmx_sumf
#define gmx_sum_sim gmx_sumf_sim
#endif
#ifdef DEBUG_GMX
#define debug_gmx() do { FILE *fp=debug ? debug : stderr;\
if (bDebugMode()) fprintf(fp,"NODEID=%d, %s %d\n",gmx_mpi_initialized() ? gmx_node_rank() : -1,__FILE__,__LINE__); fflush(fp); } while (0)
#else
#define debug_gmx()
#endif
#ifdef __cplusplus
}
#endif
#endif /* _network_h */
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