CUDAVolMapCreateILS.cu File Reference

do { \
    cudaError_t err; \
    if ((err = cudaGetLastError()) != cudaSuccess) { \
      printf("CUDA error: %s, %s line %d\n", cudaGetErrorString(err), __FILE__, __LINE__); \
      printf("Thread aborting...\n"); \
      return NULL; \
    } \
  } while (0)

Compounds
union	flint_t
struct	occthrparms_t
Defines
#define	CUERR
#define	USE_ENERGY_EXCL
#define	TEST_MBLOCK_EXCL
#define	TEST_SHIFT_EXCL
#define	MAX_THREADBLOCKS 65536
#define	BIN_DEPTH 8
#define	BIN_SLOTSIZE 4
#define	BIN_SIZE (BIN_DEPTH * BIN_SLOTSIZE)
#define	BIN_SHIFT 5
#define	BIN_SLOTSHIFT 2
#define	MAX_VDWPARMS 160
#define	MAX_PROBES 8
#define	MAX_EXTRAS 50
#define	MAX_BINOFFSETS 1467
#define	MAX_EXCLOFFSETS 27
#define	MAX_CONFORMERS 586
#define	DO_ONE_PLANE
#define	THBLEN 4
#define	NTHREADSPERBLOCK (THBLENTHBLENTHBLEN)
#define	BSHIFT 2
#define	NTPBSHIFT 6
#define	NCONFPERLOOP 5
#define	NTPB_TIMES_NCPL (NTHREADSPERBLOCK * NCONFPERLOOP)
#define	PADMASK (THBLEN-1)
#define	MAX_ALLOWABLE_ENERGY 87.f
#define	TIME_PER_MONOATOM_WORKUNIT 1.24553913519431e-10
#define	TIME_PER_MULTIATOM_WORKUNIT 5.24559386973180e-09
#define	MAX_TIME_PER_KERNEL 1.f
#define	DEFAULT_EXCL_DIST 1.f
Typedefs
typedef flint_t	flint
typedef occthrparms_t	occthrparms
Functions
__global__ void	cuda_find_energy_exclusions (int excl, const flint bin_zero, int nbx, int nby, int mzblocks, int mzblockoffset)
__global__ void	cuda_occupancy_monoatom (float map, const int excl, const flint *bin_zero, int nbx, int nby, int mzblocks, int mzblockoffset)
__global__ void	cuda_occupancy_multiatom (float map, const int excl, const flint *bin_zero, int nbx, int nby, int mzblocks, int mzblockoffset)
void *	cuda_occupancy_thread (void *voidparms)
int	vmd_cuda_evaluate_occupancy_map (int mx, int my, int mz, float map, float max_energy, float cutoff, float hx, float hy, float hz, float x0, float y0, float z0, float bx_1, float by_1, float bz_1, int nbx, int nby, int nbz, const float bin, const float bin_zero, int num_binoffsets, const char binoffsets, int num_extras, const float extra, int num_vdwparms, const float vdwparms, int num_probes, const float probevdwparms, int num_conformers, const float conformers)
Variables
__constant__ float	const_max_energy
__constant__ float	const_min_occupancy
__constant__ float	const_cutoff
__constant__ float	const_min_excldist
__constant__ float	const_hx
__constant__ float	const_hy
__constant__ float	const_hz
__constant__ float	const_x0
__constant__ float	const_y0
__constant__ float	const_z0
__constant__ float	const_bx_1
__constant__ float	const_by_1
__constant__ float	const_bz_1
__constant__ float	const_inv_numconf
__constant__ int	const_num_binoffsets
__constant__ int	const_num_extras
__constant__ int	const_num_probes
__constant__ int	const_num_conformers
__constant__ float	const_vdwparms [2 *MAX_VDWPARMS]
__constant__ float	const_probevdwparms [2 *MAX_PROBES]
__constant__ flint	const_extra [BIN_SLOTSIZE *MAX_EXTRAS]
__constant__ int	const_binoffsets [MAX_BINOFFSETS]
__constant__ int	const_excloffsets [MAX_EXCLOFFSETS]
__constant__ float	const_conformers [3 MAX_PROBES MAX_CONFORMERS]

CUDAVolMapCreateILS.cu File Reference

Compounds

Defines

Typedefs

Functions

Variables

Detailed Description

Define Documentation

Typedef Documentation

Function Documentation

Variable Documentation