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43 * This module defines the interface of the actual communication routines.
48 #include "gromacs/utility/basedefinitions.h"
49 #include "gromacs/utility/fatalerror.h"
56 struct gmx_multisim_t;
59 struct t_commrec *init_commrec(void);
60 /* Allocate, initialize and return the commrec. */
62 struct t_commrec *reinitialize_commrec_for_this_thread(const struct t_commrec *cro);
63 /* Initialize communication records for thread-parallel simulations.
64 Must be called on all threads before any communication takes place by
65 the individual threads. Copies the original commrec to
66 thread-local versions (a small memory leak results because we don't
67 deallocate the old shared version). */
69 void gmx_fill_commrec_from_mpi(struct t_commrec *cr);
70 /* Continues t_commrec construction */
72 void gmx_setup_nodecomm(FILE *fplog, struct t_commrec *cr);
73 /* Sets up fast global communication for clusters with multi-core nodes */
75 void gmx_init_intranode_counters(struct t_commrec *cr);
76 /* Initializes intra-physical-node MPI process/thread counts and ID. */
78 void gmx_barrier(const struct t_commrec *cr);
79 /* Wait till all processes in cr->mpi_comm_mygroup have reached the barrier */
81 void gmx_bcast(int nbytes, void *b, const struct t_commrec *cr);
82 /* Broadcast nbytes bytes from the master to cr->mpi_comm_mygroup */
84 void gmx_bcast_sim(int nbytes, void *b, const struct t_commrec *cr);
85 /* Broadcast nbytes bytes from the sim master to cr->mpi_comm_mysim */
87 void gmx_sumi(int nr, int r[], const struct t_commrec *cr);
88 /* Calculate the global sum of an array of ints */
90 void gmx_sumli(int nr, gmx_int64_t r[], const struct t_commrec *cr);
91 /* Calculate the global sum of an array of large ints */
93 void gmx_sumf(int nr, float r[], const struct t_commrec *cr);
94 /* Calculate the global sum of an array of floats */
96 void gmx_sumd(int nr, double r[], const struct t_commrec *cr);
97 /* Calculate the global sum of an array of doubles */
99 void gmx_sumi_sim(int nr, int r[], const struct gmx_multisim_t *ms);
100 /* Calculate the sum over the simulations of an array of ints */
102 void gmx_sumli_sim(int nr, gmx_int64_t r[], const struct gmx_multisim_t *ms);
103 /* Calculate the sum over the simulations of an array of large ints */
105 void gmx_sumf_sim(int nr, float r[], const struct gmx_multisim_t *ms);
106 /* Calculate the sum over the simulations of an array of floats */
108 void gmx_sumd_sim(int nr, double r[], const struct gmx_multisim_t *ms);
109 /* Calculate the sum over the simulations of an array of doubles */
112 #define gmx_sum gmx_sumd
113 #define gmx_sum_sim gmx_sumd_sim
115 #define gmx_sum gmx_sumf
116 #define gmx_sum_sim gmx_sumf_sim
119 gmx_bool gmx_fexist_master(const char *fname, struct t_commrec *cr);
120 /* Return TRUE when fname exists, FALSE otherwise, bcast from master to others */
123 gmx_fatal_collective(int f_errno, const char *file, int line,
124 const struct t_commrec *cr, struct gmx_domdec_t *dd,
125 const char *fmt, ...);
126 /* As gmx_fatal declared in utility/fatalerror.h,
127 * but only the master process prints the error message.
128 * This should only be called one of the following two situations:
129 * 1) On all nodes in cr->mpi_comm_mysim, with cr!=NULL,dd==NULL.
130 * 2) On all nodes in dd->mpi_comm_all, with cr==NULL,dd!=NULL.
131 * This will call MPI_Finalize instead of MPI_Abort when possible,
132 * This is useful for handling errors in code that is executed identically
136 /* This doesn't currently work if enabled (needs some header cleanup). */
138 #define debug_gmx() do { FILE *fp = debug ? debug : stderr; \
139 if (bDebugMode()) { fprintf(fp, "rank=%d, %s %d\n", gmx_mpi_initialized() ? gmx_node_rank() : -1, __FILE__, __LINE__); } fflush(fp); } while (0)
149 #endif /* _network_h */