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41 * This module defines the interface of the actual communication routines.
46 #include "types/simple.h"
47 #include "types/commrec.h"
50 #include "gmx_fatal.h"
56 int gmx_setup(int *argc
,char **argv
,int *nnodes
);
57 /* Initializes the parallel communication, return the ID of the node */
59 int gmx_node_num(void);
60 /* return the number of nodes in the ring */
62 int gmx_node_rank(void);
63 /* return the rank of the node */
65 int gmx_hostname_num(void);
66 /* If the first part of the hostname (up to the first dot) ends with a number, returns this number.
67 If the first part of the hostname does not ends in a number (0-9 characters), returns 0.
70 void gmx_setup_nodecomm(FILE *fplog
,t_commrec
*cr
);
71 /* Sets up fast global communication for clusters with multi-core nodes */
73 void gmx_init_intra_counters(t_commrec
*cr
);
74 /* Initializes intra-node process counts and ID. */
76 gmx_bool
gmx_mpi_initialized(void);
77 /* return TRUE when MPI_Init has been called.
78 * return FALSE when MPI_Init has not been called OR
79 * when GROMACS was compiled without MPI support.
82 void gmx_barrier(const t_commrec
*cr
);
83 /* Wait till all processes in cr->mpi_comm_mygroup have reached the barrier */
85 void gmx_bcast(int nbytes
,void *b
,const t_commrec
*cr
);
86 /* Broadcast nbytes bytes from the master to cr->mpi_comm_mygroup */
88 void gmx_bcast_sim(int nbytes
,void *b
,const t_commrec
*cr
);
89 /* Broadcast nbytes bytes from the sim master to cr->mpi_comm_mysim */
91 void gmx_sumi(int nr
,int r
[],const t_commrec
*cr
);
92 /* Calculate the global sum of an array of ints */
94 void gmx_sumli(int nr
,gmx_large_int_t r
[],const t_commrec
*cr
);
95 /* Calculate the global sum of an array of large ints */
97 void gmx_sumf(int nr
,float r
[],const t_commrec
*cr
);
98 /* Calculate the global sum of an array of floats */
100 void gmx_sumd(int nr
,double r
[],const t_commrec
*cr
);
101 /* Calculate the global sum of an array of doubles */
103 void gmx_sumf_comm(int nr
,float r
[],MPI_Comm mpi_comm
);
104 /* Calculate the global sum of an array of floats */
106 void gmx_sumd_comm(int nr
,double r
[],MPI_Comm mpi_comm
);
107 /* Calculate the global sum of an array of doubles */
109 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 */
112 void gmx_sumli_sim(int nr
,gmx_large_int_t r
[],const gmx_multisim_t
*ms
);
113 /* Calculate the sum over the simulations of an array of large ints */
115 void gmx_sumf_sim(int nr
,float r
[],const gmx_multisim_t
*ms
);
116 /* Calculate the sum over the simulations of an array of floats */
118 void gmx_sumd_sim(int nr
,double r
[],const gmx_multisim_t
*ms
);
119 /* Calculate the sum over the simulations of an array of doubles */
121 void gmx_abort(int nodeid
,int nnodes
,int errorno
);
122 /* Abort the parallel run */
124 void gmx_finalize_par(void);
125 /* Finish the parallel run in an ordered manner */
128 #define gmx_sum_comm gmx_sumd_comm
129 #define gmx_sum gmx_sumd
130 #define gmx_sum_sim gmx_sumd_sim
132 #define gmx_sum_comm gmx_sumf_comm
133 #define gmx_sum gmx_sumf
134 #define gmx_sum_sim gmx_sumf_sim
138 #define debug_gmx() do { FILE *fp=debug ? debug : stderr;\
139 if (bDebugMode()) fprintf(fp,"NODEID=%d, %s %d\n",gmx_mpi_initialized() ? gmx_node_rank() : -1,__FILE__,__LINE__); fflush(fp); } while (0)
149 #endif /* _network_h */