Hi! I am modifying our research group’s inhouse potential file to be compatible with GPU package. I am learning by looking at pair_lj_cut_gpu.cpp file. I want to find out where these functions are defined in the following code:
// External functions from cuda library for atom decomposition
int ljl_gpu_init(const int ntypes, double **cutsq, double **host_lj1, double **host_lj2,
double **host_lj3, double **host_lj4, double **offset, double *special_lj,
const int nlocal, const int nall, const int max_nbors, const int maxspecial,
const double cell_size, int &gpu_mode, FILE *screen);
void ljl_gpu_reinit(const int ntypes, double **cutsq, double **host_lj1, double **host_lj2,
double **host_lj3, double **host_lj4, double **offset);
void ljl_gpu_clear();
int **ljl_gpu_compute_n(const int ago, const int inum, const int nall, double **host_x,
int *host_type, double *sublo, double *subhi, tagint *tag, int **nspecial,
tagint **special, const bool eflag, const bool vflag, const bool eatom,
const bool vatom, int &host_start, int **ilist, int **jnum,
const double cpu_time, bool &success);
void ljl_gpu_compute(const int ago, const int inum, const int nall, double **host_x, int *host_type,
int *ilist, int *numj, int **firstneigh, const bool eflag, const bool vflag,
const bool eatom, const bool vatom, int &host_start, const double cpu_time,
bool &success);
double ljl_gpu_bytes();
In what file are these functions defined? The comment suggested these are from the Cuda library for atom decomposition. I have went on to the official Cuda library website. There isn’t a library that correspond to atom decomposition.
Thanks!