PmeGpu Struct Reference

#include <gromacs/ewald/pme-gpu-types.h>

Collaboration diagram for PmeGpu:

Description

The main PME GPU host structure, included in the PME CPU structure by pointer.

Public Attributes
std::shared_ptr< PmeShared >	common
	The information copied once per reinit from the CPU structure.
PmeGpuSettings	settings
	The settings.
PmeGpuStaging	staging
	The host-side buffers. The device-side buffers are buried in kernelParams, but that will have to change.
int	nAtomsPadded
	Number of local atoms, padded to be divisible by PME_ATOM_DATA_ALIGNMENT. Used for kernel scheduling. kernelParams.atoms.nAtoms is the actual atom count to be used for data copying. TODO: this and the next member represent a memory allocation/padding properties - what a container type should do ideally.
int	nAtomsAlloc
	Number of local atoms, padded to be divisible by PME_ATOM_DATA_ALIGNMENT if c_usePadding is true. Used only as a basic size for almost all the atom data allocations (spline parameter data is also aligned by PME_SPREADGATHER_PARTICLES_PER_WARP). This should be the same as (c_usePadding ? nAtomsPadded : kernelParams.atoms.nAtoms). kernelParams.atoms.nAtoms is the actual atom count to be used for most data copying.
gmx_device_info_t *	deviceInfo
	A pointer to the device used during the execution.
std::intmax_t	maxGridWidthX
	Kernel scheduling grid width limit in X - derived from deviceinfo compute capability in CUDA. Declared as very large int to make it useful in computations with type promotion, to avoid overflows.
std::shared_ptr < PmeGpuKernelParams >	kernelParams
	A single structure encompassing all the PME data used on GPU. Its value is the only argument to all the PME GPU kernels. More...
std::shared_ptr< PmeGpuSpecific >	archSpecific
	The pointer to GPU-framework specific host-side data, such as CUDA streams and events.

Member Data Documentation

std::shared_ptr<PmeGpuKernelParams> PmeGpu::kernelParams

A single structure encompassing all the PME data used on GPU. Its value is the only argument to all the PME GPU kernels.

Todo:

Test whether this should be copied to the constant GPU memory once for each computation (or even less often with no box updates) instead of being an argument.

---

The documentation for this struct was generated from the following file:

• src/gromacs/ewald/pme-gpu-types.h