src/mdlib/nbnxn_cuda/nbnxn_cuda.h

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  35
  36 #ifndef NBNXN_CUDA_H
  37 #define NBNXN_CUDA_H
  38
  39 #include "types/nbnxn_cuda_types_ext.h"
  40
  41 #ifdef GMX_GPU
  42 #define FUNC_TERM ;
  43 #else
  44 #define FUNC_TERM {}
  45 #endif
  46
  47 #ifdef __cplusplus
  48 extern "C" {
  49 #endif
  50
  51 /*! Launch asynchronously the nonbonded force calculations.
  52  *  This consists of the following (async) steps launched:
  53  *  - upload x and q;
  54  *  - upload shift vector;
  55  *  - launch kernel;
  56  *  The local and non-local interaction calculations are launched in two
  57  *  separate streams.
  58  */
  59 void nbnxn_cuda_launch_kernel(nbnxn_cuda_ptr_t cu_nb,
  60                               const nbnxn_atomdata_t *nbdata,
  61                               int flags,
  62                               int iloc) FUNC_TERM
  63
  64 /*! Launch asynchronously the download of nonbonded forces from the GPU
  65  *  (and energies/shift forces if required).
  66  */
  67 void nbnxn_cuda_launch_cpyback(nbnxn_cuda_ptr_t cu_nb,
  68                                const nbnxn_atomdata_t *nbatom,
  69                                int flags,
  70                                int aloc) FUNC_TERM
  71
  72 /*! Wait for the asynchronously launched nonbonded calculations and data
  73  *  transfers to finish.
  74  */
  75 void nbnxn_cuda_wait_gpu(nbnxn_cuda_ptr_t cu_nb,
  76                          const nbnxn_atomdata_t * nbatom,
  77                          int flags, int aloc,
  78                          real *e_lj, real *e_el,
  79                          rvec *fshift) FUNC_TERM
  80
  81 #ifdef __cplusplus
  82 }
  83 #endif
  84
  85 #undef FUNC_TERM
  86
  87 #endif /* NBNXN_CUDA_H */