src/gromacs/listed-forces/manage-threading.h

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  37 /*! \libinternal \file
  38  * \brief Declares functions for managing threading of listed forces
  39  *
  40  * \author Mark Abraham <mark.j.abraham@gmail.com>
  41  * \inlibraryapi
  42  * \ingroup module_listed-forces
  43  */
  44 #ifndef GMX_LISTED_FORCES_MANAGE_THREADING_H
  45 #define GMX_LISTED_FORCES_MANAGE_THREADING_H
  46
  47 #include <cstdio>
  48
  49 #include "gromacs/mdtypes/forcerec.h"
  50 #include "gromacs/topology/idef.h"
  51
  52 #ifdef __cplusplus
  53 extern "C" {
  54 #endif
  55
  56 /*! \brief Divide the listed interactions over the threads
  57  *
  58  * Uses fr->nthreads for the number of threads, and sets up the
  59  * thread-force buffer reduction. This should be called each time the
  60  * bonded setup changes; i.e. at start-up without domain decomposition
  61  * and at DD.
  62  */
  63 void setup_bonded_threading(t_forcerec *fr, t_idef *idef);
  64
  65 //! Destructor.
  66 void tear_down_bonded_threading(bonded_threading_t *bt,
  67                                 t_idef             *idef);
  68
  69 /*! \brief Initialize the bonded threading data structures
  70  *
  71  * Allocates and initializes a bonded threading data structure.
  72  * A pointer to this struct is returned as \p *bb_ptr.
  73  */
  74 void init_bonded_threading(FILE *fplog, int nenergrp,
  75                            struct bonded_threading_t **bt_ptr);
  76
  77 #ifdef __cplusplus
  78 }
  79 #endif
  80
  81 #endif