Gromacs
2021-beta2-UNCHECKED
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#include "gromacs/gpu_utils/devicebuffer.h"
#include "gromacs/gpu_utils/gmxopencl.h"
#include "gromacs/gpu_utils/gputraits_ocl.h"
#include "gromacs/gpu_utils/oclutils.h"
#include "gromacs/mdtypes/interaction_const.h"
#include "gromacs/nbnxm/gpu_types_common.h"
#include "gromacs/nbnxm/nbnxm.h"
#include "gromacs/nbnxm/nbnxm_gpu.h"
#include "gromacs/nbnxm/pairlist.h"
#include "gromacs/utility/enumerationhelpers.h"
#include "gromacs/utility/fatalerror.h"
#include "gromacs/utility/real.h"
#include "nbnxm_ocl_consts.h"
Data types used internally in the nbnxm_ocl module.
Classes | |
struct | nb_staging_t |
Staging area for temporary data downloaded from the GPU. More... | |
struct | cl_atomdata |
Nonbonded atom data - both inputs and outputs. More... | |
struct | cl_nbparam_params |
Data structure shared between the OpenCL device code and OpenCL host code. More... | |
struct | NbnxmGpu |
Main data structure for CUDA nonbonded force calculations. More... | |
Macros | |
#define | M_FLOAT_1_SQRTPI 0.564189583547756f |
Define 1/sqrt(pi) | |
Typedefs | |
typedef struct cl_atomdata | cl_atomdata_t |
Nonbonded atom data - both inputs and outputs. More... | |
typedef struct cl_nbparam_params | cl_nbparam_params_t |
Data structure shared between the OpenCL device code and OpenCL host code. More... | |
typedef struct Nbnxm::gpu_timers_t | cl_timers_t |
Typedef of actual timer type. More... | |
Enumerations | |
enum | ePruneKind { epruneFirst, epruneRolling, ePruneNR } |
Pruning kernel flavors. More... | |
Variables | |
const int | c_oclPruneKernelJ4ConcurrencyDEFAULT = 4 |
Constants for platform-dependent defaults for the prune kernel's j4 processing concurrency. More... | |
typedef struct cl_atomdata cl_atomdata_t |
Nonbonded atom data - both inputs and outputs.
typedef struct cl_nbparam_params cl_nbparam_params_t |
Data structure shared between the OpenCL device code and OpenCL host code.
Must not contain OpenCL objects (buffers) TODO: review, improve
typedef struct Nbnxm::gpu_timers_t cl_timers_t |
Typedef of actual timer type.
enum ePruneKind |
Pruning kernel flavors.
The values correspond to the first call of the pruning post-list generation and the rolling pruning, respectively.
const int c_oclPruneKernelJ4ConcurrencyDEFAULT = 4 |
Constants for platform-dependent defaults for the prune kernel's j4 processing concurrency.
Initialized using macros that can be overridden at compile-time (using GMX_NBNXN_PRUNE_KERNEL_J4_CONCURRENCY).