Gromacs
2026.0-dev-20241204-d69d709
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Functions | |
static __global__ void | nbnxmKernelTransformXToXq (int numColumns, float4 *__restrict__ gm_xq, const float3 *__restrict__ gm_x, const int *__restrict__ gm_atomIndex, const int *__restrict__ gm_numAtoms, const int *__restrict__ gm_cellIndex, int cellOffset, int numAtomsPerCell) |
HIP kernel for transforming position coordinates from rvec to nbnxm layout. More... | |
Variables | |
static constexpr int | c_bufOpsThreadsPerBlock = 64 |
Number of HIP threads in a block. | |
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HIP kernel for transforming position coordinates from rvec to nbnxm layout.
[in] | numColumns | Extent of cell-level parallelism. |
[out] | gm_xq | Coordinates buffer in nbnxm layout. |
[in] | gm_x | Coordinates buffer. |
[in] | gm_atomIndex | Atom index mapping. |
[in] | gm_numAtoms | Array of number of atoms. |
[in] | gm_cellIndex | Array of cell indices. |
[in] | cellOffset | First cell. |
[in] | numAtomsPerCell | Number of atoms per cell. |