listed_forces_gpu_impl_gpu.cpp File Reference

#include "gmxpre.h"
#include "gromacs/gpu_utils/device_context.h"
#include "gromacs/gpu_utils/device_stream.h"
#include "gromacs/gpu_utils/devicebuffer.h"
#include "gromacs/hardware/device_information.h"
#include "gromacs/mdlib/gmx_omp_nthreads.h"
#include "gromacs/mdtypes/enerdata.h"
#include "gromacs/nbnxm/gpu_types_common.h"
#include "gromacs/timing/wallcycle.h"
#include "gromacs/topology/forcefieldparameters.h"
#include "listed_forces_gpu_impl.h"

Include dependency graph for listed_forces_gpu_impl_gpu.cpp:

Description

Implements helper functions for GPU listed forces (bonded)

Author

Berk Hess hess@.nosp@m.kth..nosp@m.se

Szilárd Páll pall..nosp@m.szil.nosp@m.ard@g.nosp@m.mail.nosp@m..com

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

Magnus Lundborg lundb.nosp@m.org..nosp@m.magnu.nosp@m.s@gm.nosp@m.ail.c.nosp@m.om

Functions
static int	gmx::chooseSubGroupSizeForDevice (const DeviceInformation &deviceInfo)
static bool	gmx::fTypeHasPerturbedEntries (const InteractionDefinitions &idef, int fType)
	Return whether function type fType in idef has perturbed interactions.
static void	gmx::convertIlistToNbnxnOrder (const InteractionList &src, HostInteractionList *dest, int numAtomsPerInteraction, ArrayRef< const int > nbnxnAtomOrder)
	Converts src with atom indices in state order to dest in nbnxn order.
static int	gmx::roundUpToFactor (const int input, const int factor)
	Returns input rounded up to the closest multiple of factor.

Variables
static constexpr int	c_threadsPerBlock = 256