include/partdec.h

   1 /*
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  35
  36 #ifndef _partdec_h
  37 #define _partdec_h
  38
  39 #ifdef HAVE_CONFIG_H
  40 #include <config.h>
  41 #endif
  42
  43 #include "vsite.h"
  44
  45 #ifdef __cplusplus
  46 extern "C" {
  47 #endif
  48
  49
  50 #define GMX_LEFT     0          /* channel to the left processor  */
  51 #define GMX_RIGHT    1          /* channel to the right processor */
  52
  53 /* These are the good old ring communication routines */
  54
  55 extern void gmx_tx(const t_commrec *cr,int dir,void *buf,int bufsize);
  56      /*
  57       * Asynchronously sends bufsize bytes from the buffer pointed to by buf
  58       * over the communication channel, identified by chan. The buffer becomes
  59       * available after a successful call of gmx_tx_wait(dir).
  60       */
  61
  62 extern void gmx_tx_wait(const t_commrec *cr, int dir);
  63      /*
  64       * Waits until the asynchronous send operation associated with chan has
  65       * succeeded. This makes the buffer of the send operation available to
  66       * the sending process.
  67       */
  68
  69 extern void gmx_rx(const t_commrec *cr,int dir,void *buf,int bufsize);
  70      /*
  71       * Asynchronously receives bufsize bytes in the buffer pointed to by buf
  72       * from communication channel identified by chan. The buffer becomes
  73       * available after a successful call of gmx_rx_wait(chan).
  74       */
  75
  76 extern void gmx_rx_wait(const t_commrec *cr, int dir);
  77      /*
  78       * Waits until the asynchronous receive operation, associated with chan,
  79       * has succeeded. This makes the buffer of the receive operation
  80       * available to the receiving process.
  81       */
  82
  83 extern void gmx_left_right(int nnodes,int nodeid,
  84                            int *left,int *right);
  85 /* Get left and right proc id. */
  86
  87 extern void gmx_tx_rx(const t_commrec *cr,
  88                       int send_dir,void *send_buf,int send_bufsize,
  89                       int recv_dir,void *recv_buf,int recv_bufsize);
  90 /* Communicate simultaneously left and right */
  91
  92 extern void gmx_tx_rx_real(const t_commrec *cr,
  93                            int send_dir,real *send_buf,int send_bufsize,
  94                            int recv_dir,real *recv_buf,int recv_bufsize);
  95 /* Communicate simultaneously left and right, reals only */
  96
  97 extern void gmx_wait(const t_commrec *cr, int dir_send, int dir_recv);
  98 /* Wait for communication to finish */
  99
 100 extern void pd_move_f(const t_commrec *cr,rvec f[],t_nrnb *nrnb);
 101 /* Sum the forces over the nodes */
 102
 103 extern int *pd_cgindex(const t_commrec *cr);
 104
 105 extern int *pd_index(const t_commrec *cr);
 106
 107 extern int pd_shift(const t_commrec *cr);
 108
 109 extern int pd_bshift(const t_commrec *cr);
 110
 111 extern void pd_cg_range(const t_commrec *cr,int *cg0,int *cg1);
 112 /* Get the range for the home charge groups */
 113
 114 extern void pd_at_range(const t_commrec *cr,int *at0,int *at1);
 115 /* Get the range for the home particles */
 116
 117 extern gmx_localtop_t *split_system(FILE *log,
 118                                     gmx_mtop_t *mtop,t_inputrec *inputrec,
 119                                     t_commrec *cr);
 120 /* Split the system over N processors. */
 121
 122 extern bool setup_parallel_vsites(t_idef *idef,t_commrec *cr,
 123                                   t_comm_vsites *vsitecomm);
 124
 125 extern t_state *partdec_init_local_state(t_commrec *cr,t_state *state_global);
 126 /* Generate a local state struct from the global one */
 127
 128 void
 129 pd_get_constraint_range(gmx_partdec_p_t pd,int *start,int *natoms);
 130
 131
 132 int *
 133 pd_constraints_nlocalatoms(gmx_partdec_p_t pd);
 134
 135 /* Move x0 and also x1 if x1!=NULL */
 136 void
 137 pd_move_x_constraints(t_commrec *  cr,
 138                                           rvec *       x0,
 139                                           rvec *       x1);
 140
 141 #ifdef __cplusplus
 142 }
 143 #endif
 144
 145 #endif