Gromacs
2025.2
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#include "gmxpre.h"
#include <rocprim/rocprim.hpp>
#include "nbnxm_hip_types.h"
#include "gromacs/gpu_utils/device_context.h"
#include "gromacs/gpu_utils/pmalloc.h"
#include "gromacs/hardware/device_information.h"
#include "gromacs/hardware/device_management.h"
#include "gromacs/nbnxm/atomdata.h"
#include "gromacs/nbnxm/gpu_data_mgmt.h"
#include "gromacs/nbnxm/nbnxm.h"
#include "gromacs/nbnxm/nbnxm_gpu_data_mgmt.h"
Define HIP implementation for GPU data transfer for NBNXM module.
Functions | |
void | gmx::gpu_init_platform_specific (NbnxmGpu *nb) |
Initializes the NBNXM GPU data structures. | |
void | gmx::gpu_free_platform_specific (NbnxmGpu *nb) |
Releases the NBNXM GPU data structures. More... | |
int | gmx::gpu_min_ci_balanced (NbnxmGpu *nb) |
This function is documented in the header file. | |
size_t | gmx::anonymous_namespace{nbnxm_hip_data_mgmt.cpp}::hipRocprimWrapper (size_t temporaryBufferSize, char *temporaryBuffer, gmx::GpuPairlist *plist, const DeviceStream &deviceStream) |
size_t | gmx::getExclusiveScanWorkingArraySize (GpuPairlist *plist, const DeviceStream &deviceStream) |
Calculates working memory required for exclusive sum, used in neighbour list sorting on GPU. More... | |
void | gmx::performExclusiveScan (size_t temporaryBufferSize, char *temporaryBuffer, GpuPairlist *plist, const DeviceStream &deviceStream) |
Perform exclusive scan to obtain input for sci sorting. | |
Variables | |
static const unsigned int | gmx::gpu_min_ci_balanced_factor = 44 |