Function deepmd::convert_nlist_gpu_device

Function Documentation

void deepmd::convert_nlist_gpu_device(InputNlist &gpu_nlist, InputNlist &cpu_nlist, int *&gpu_memory, const int &max_nbor_size)

Convert the a host memory InputNlist to a device memory InputNlist.

Parameters
  • cpu_nlist – Host memory InputNlist struct which stores the neighbor information of the core region atoms

  • gpu_nlist – Device memory InputNlist struct which stores the neighbor information of the core region atoms

  • gpu_memory – Device array which stores the elements of gpu_nlist

  • max_nbor_size