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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:


Implements helper functions for GPU listed forces (bonded)

Berk Hess
Szilárd Páll
Mark Abraham
Magnus Lundborg


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.


static constexpr int c_threadsPerBlock = 256