added Verlet scheme and NxN non-bonded functionality
[gromacs.git] / include / types / nbnxn_cuda_types_ext.h
blobdd8c6206be0100a3846cdb286c08ac8600d6d447
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36 #ifndef NBNXN_CUDA_TYPES_EXT_H
37 #define NBNXN_CUDA_TYPES_EXT_H
39 #ifdef __cplusplus
40 extern "C" {
41 #endif
43 /* Abstract types */
44 /* CUDA nonbonded structure */
45 typedef struct nbnxn_cuda *nbnxn_cuda_ptr_t;
46 /* CUDA GPU device info */
47 typedef struct cuda_dev_info *cuda_dev_info_ptr_t;
49 /* Types defined for the structs below. */
50 typedef struct wallclock_gpu wallclock_gpu_t;
51 typedef struct nbnxn_cuda_ktime nbnxn_cuda_ktime_t;
53 /* Nonbonded kernel time and call count. */
54 struct nbnxn_cuda_ktime
56 double t;
57 int c;
58 };
60 /* GPU timings for kernels and H2d/D2H transfers. */
61 struct wallclock_gpu
63 nbnxn_cuda_ktime_t ktime[2][2]; /* table containing the timings of the four
64 version of the nonbonded kernels: force-only,
65 force+energy, force+pruning, and force+energy+pruning */
66 double nb_h2d_t; /* host to device transfer time in nb calculation */
67 double nb_d2h_t; /* device to host transfer time in nb calculation */
68 int nb_c; /* total call count of the nonbonded gpu operations */
69 double pl_h2d_t; /* pair search step host to device transfer time */
70 int pl_h2d_c; /* pair search step host to device transfer call count */
73 #ifdef __cplusplus
75 #endif
77 #endif /* NBNXN_CUDA_TYPES_EXT_H */