Gromacs
2022-rc1
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#include <gromacs/ewald/pme_gpu_types.h>
A single structure encompassing all the PME data used in GPU kernels on device. To extend the list with platform-specific parameters, this can be inherited by the GPU framework-specific structure.
Public Attributes | |
struct PmeGpuConstParams | constants |
Constant data that is set once. | |
struct PmeGpuGridParams | grid |
Data dependent on the grid size/cutoff. | |
struct PmeGpuAtomParams | atoms |
Data dependent on the DD and local atoms. | |
struct PmeGpuDynamicParams | current |
Data that possibly changes for every new PME computation. This should be kept up-to-date by calling pme_gpu_prepare_computation(...) before launching spreading. | |
char | usePipeline |
Whether pipelining with PP communications is active char rather than bool to avoid problem with OpenCL compiler. | |
int | pipelineAtomStart |
Start atom for this stage of pipeline. | |
int | pipelineAtomEnd |
End atom for this stage of pipeline. | |
DeviceTexture | fractShiftsTableTexture |
Texture object for accessing grid.d_fractShiftsTable. | |
DeviceTexture | gridlineIndicesTableTexture |
Texture object for accessing grid.d_gridlineIndicesTable. | |