Gromacs
2018.8
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#include <gromacs/ewald/pme-gpu-types.h>
A single structure encompassing almost all the PME data used in GPU kernels on device. This is inherited by the GPU framework-specific structure (PmeGpuCudaKernelParams in pme.cuh). This way, most code preparing the kernel parameters can be GPU-agnostic by casting the kernel parameter data pointer to PmeGpuKernelParamsBase.
Public Attributes | |
PmeGpuConstParams | constants |
Constant data that is set once. | |
PmeGpuGridParams | grid |
Data dependent on the grid size/cutoff. | |
PmeGpuAtomParams | atoms |
Data dependent on the DD and local atoms. | |
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. | |