gpubonded.h File Reference

#include "gromacs/math/vectypes.h"
#include "gromacs/topology/idef.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/classhelpers.h"

Include dependency graph for gpubonded.h:

Description

This file contains declarations of high-level functions used by mdrun to compute energies and forces for listed interactions.

Clients of libgromacs that want to evaluate listed interactions should call functions declared here.

Author

Mark Abraham mark..nosp@m.j.ab.nosp@m.raham.nosp@m.@gma.nosp@m.il.co.nosp@m.m

Functions
bool	gmx::buildSupportsGpuBondeds (std::string *error)
	Checks whether the GROMACS build allows to compute bonded interactions on a GPU. More...
bool	gmx::inputSupportsGpuBondeds (const t_inputrec &ir, const gmx_mtop_t &mtop, std::string *error)
	Checks whether the input system allows to compute bonded interactions on a GPU. More...

Variables
constexpr int	gmx::c_numFtypesOnGpu = 8
	The number on bonded function types supported on GPUs.
constexpr std::array< int, c_numFtypesOnGpu >	gmx::ftypesOnGpu
	List of all bonded function types supported on GPUs. More...