#include "gromacs/gpu_utils/devicebuffer_datatype.h"
#include "gromacs/gpu_utils/hostallocator.h"
#include "gromacs/math/vectypes.h"
+#include "gromacs/mdtypes/locality.h"
#include "gromacs/utility/basedefinitions.h"
#include "gromacs/utility/bitmask.h"
#include "gromacs/utility/real.h"
#include "gpu_types.h"
-#include "locality.h"
namespace gmx
{
* \param[in,out] nbat Data in NBNXM format, used for mapping formats and to locate the output buffer.
*/
void nbnxn_atomdata_copy_x_to_nbat_x(const Nbnxm::GridSet &gridSet,
- Nbnxm::AtomLocality locality,
+ gmx::AtomLocality locality,
bool fillLocal,
const rvec *coordinates,
nbnxn_atomdata_t *nbat);
* \param[in] xReadyOnDevice Event synchronizer indicating that the coordinates are ready in the device memory.
*/
void nbnxn_atomdata_x_to_nbat_x_gpu(const Nbnxm::GridSet &gridSet,
- Nbnxm::AtomLocality locality,
+ gmx::AtomLocality locality,
bool fillLocal,
gmx_nbnxn_gpu_t *gpu_nbv,
DeviceBuffer<float> d_x,
* \param[out] totalForce Buffer to accumulate resulting force
*/
void reduceForces(nbnxn_atomdata_t *nbat,
- Nbnxm::AtomLocality locality,
+ gmx::AtomLocality locality,
const Nbnxm::GridSet &gridSet,
rvec *totalForce);
* \param[in] useGpuFPmeReduction Whether PME forces should be added.
* \param[in] accumulateForce Whether there are usefull data already in the total force buffer.
*/
-void reduceForcesGpu(Nbnxm::AtomLocality locality,
+void reduceForcesGpu(gmx::AtomLocality locality,
DeviceBuffer<float> totalForcesDevice,
const Nbnxm::GridSet &gridSet,
void *pmeForcesDevice,
gmx::ArrayRef<gmx::RVec> fshift);
/* Get the atom start index and number of atoms for a given locality */
-void nbnxn_get_atom_range(Nbnxm::AtomLocality atomLocality,
+void nbnxn_get_atom_range(gmx::AtomLocality atomLocality,
const Nbnxm::GridSet &gridSet,
int *atomStart,
int *nAtoms);