Implements PME halo exchange and PME-FFT grid conversion functions.
- Author
- Gaurav Garg gauga.nosp@m.rg@n.nosp@m.vidia.nosp@m..com
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typedef struct gmx_parallel_3dfft * | gmx_parallel_3dfft_t |
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void | pmeGpuGridHaloExchange (const PmeGpu *pmeGpu) |
| Grid Halo exchange after PME spread ToDo: Current implementation transfers halo region from/to only immediate neighbours And, expects that overlapSize <= local grid width. Implement exchange with multiple neighbors to remove this limitation. More...
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void | pmeGpuGridHaloExchangeReverse (const PmeGpu *pmeGpu) |
| Grid reverse Halo exchange before PME gather ToDo: Current implementation transfers halo region from/to only immediate neighbours And, expects that overlapSize <= local grid width. Implement exchange with multiple neighbors to remove this limitation. More...
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template<bool pmetofft> |
void | convertPmeGridToFftGrid (const PmeGpu *pmeGpu, float *h_grid, gmx_parallel_3dfft_t *fftSetup, int gridIndex) |
| Copy PME Grid with overlap region to FFT grid and vice-versa. More...
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template void | convertPmeGridToFftGrid< true > (const PmeGpu *, float *, gmx_parallel_3dfft_t *, int) |
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template void | convertPmeGridToFftGrid< false > (const PmeGpu *, float *, gmx_parallel_3dfft_t *, int) |
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Copy PME Grid with overlap region to FFT grid and vice-versa.
- Parameters
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[in] | pmeGpu | The PME GPU structure. |
[in] | h_grid | FFT grid on host |
[in] | fftSetup | Host FFT setup structure |
[in] | gridIndex | Grid index which is to be converted |
- Template Parameters
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pmeToFft | A boolean which tells if this is conversion from PME grid to FFT grid or reverse |
void pmeGpuGridHaloExchange |
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const PmeGpu * |
pmeGpu | ) |
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Grid Halo exchange after PME spread ToDo: Current implementation transfers halo region from/to only immediate neighbours And, expects that overlapSize <= local grid width. Implement exchange with multiple neighbors to remove this limitation.
- Parameters
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[in] | pmeGpu | The PME GPU structure. |
void pmeGpuGridHaloExchangeReverse |
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const PmeGpu * |
pmeGpu | ) |
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Grid reverse Halo exchange before PME gather ToDo: Current implementation transfers halo region from/to only immediate neighbours And, expects that overlapSize <= local grid width. Implement exchange with multiple neighbors to remove this limitation.
- Parameters
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[in] | pmeGpu | The PME GPU structure. |