src/gromacs/ewald/pme_only.h

   1 /*
   2  * This file is part of the GROMACS molecular simulation package.
   3  *
   4  * Copyright (c) 2020, by the GROMACS development team, led by
   5  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
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  35 /*! \libinternal \file
  36  *
  37  * \brief This file contains function declarations necessary for
  38  * running on an MPI rank doing only PME long-ranged work.
  39  *
  40  * \author Berk Hess <hess@kth.se>
  41  * \inlibraryapi
  42  * \ingroup module_ewald
  43  */
  44
  45 #ifndef GMX_EWALD_PME_ONLY_H
  46 #define GMX_EWALD_PME_ONLY_H
  47
  48 #include <string>
  49
  50 #include "gromacs/timing/walltime_accounting.h"
  51
  52 struct t_commrec;
  53 struct t_inputrec;
  54 struct t_nrnb;
  55 struct gmx_pme_t;
  56 struct gmx_wallcycle;
  57
  58 class DeviceContext;
  59 enum class PmeRunMode;
  60
  61 /*! \brief Called on the nodes that do PME exclusively */
  62 int gmx_pmeonly(gmx_pme_t*                pme,
  63                 const t_commrec*          cr,
  64                 t_nrnb*                   mynrnb,
  65                 gmx_wallcycle*            wcycle,
  66                 gmx_walltime_accounting_t walltime_accounting,
  67                 t_inputrec*               ir,
  68                 PmeRunMode                runMode,
  69                 const DeviceContext*      deviceContext);
  70
  71 #endif