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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15248 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2016-07-01 23:27:26 +00:00
parent 8366b35459
commit 9656958169
245 changed files with 4890 additions and 4832 deletions
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31
lib/gpu/lal_base_three.h
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@ -44,7 +44,7 @@ class BaseThree {
* \param gpu_split fraction of particles handled by device
* \param k_two name for the kernel for 2-body force calculation
* \param k_three name for the kernel for 3-body force calculation
*
*
* Returns:
* - 0 if successfull
* - -1 if fix gpu not found
@ -53,8 +53,8 @@ class BaseThree {
* - -5 Double precision is not supported on card
* - -10 if invalid thread_per_atom setting **/
int init_three(const int nlocal, const int nall, const int max_nbors,
const int maxspecial, const double cell_size,
const double gpu_split, FILE *screen,
const int maxspecial, const double cell_size,
const double gpu_split, FILE *screen,
const void *pair_program, const char *k_two,
const char *k_three_center, const char *k_three_end);
@ -88,7 +88,7 @@ class BaseThree {
* \note host_inum is 0 if the host is performing neighboring
* \note nlocal+host_inum=total number local particles
* \note olist_size=0 **/
inline void resize_local(const int inum, const int host_inum,
inline void resize_local(const int inum, const int host_inum,
const int max_nbors, bool &success) {
nbor->resize(inum,host_inum,max_nbors,success);
}
@ -133,33 +133,33 @@ class BaseThree {
/// Build neighbor list on device
int build_nbor_list(const int inum, const int host_inum,
const int nall, double **host_x, int *host_type,
double *sublo, double *subhi, tagint *tag, int **nspecial,
double *sublo, double *subhi, tagint *tag, int **nspecial,
tagint **special, bool &success);
/// Pair loop with host neighboring
void compute(const int f_ago, const int inum_full, const int nall,
void compute(const int f_ago, const int inum_full, const int nall,
const int nlist, 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);
/// Pair loop with device neighboring
int * compute(const int ago, const int inum_full, const int nall,
int * compute(const int ago, const int inum_full, 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,
tagint **special, const bool eflag, const bool vflag,
const bool eatom, const bool vatom, int &host_start,
const double cpu_time, bool &success);
/// Pair loop with device neighboring
int ** compute(const int ago, const int inum_full,
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,
tagint **special, const bool eflag, const bool vflag,
const bool eatom, const bool vatom, int &host_start,
int **ilist, int **numj, const double cpu_time, bool &success);
// -------------------------- DEVICE DATA -------------------------
// -------------------------- DEVICE DATA -------------------------
/// Device Properties and Atom and Neighbor storage
Device<numtyp,acctyp> *device;
@ -186,7 +186,7 @@ class BaseThree {
Answer<numtyp,acctyp> *ans;
#ifdef THREE_CONCURRENT
Answer<numtyp,acctyp> *ans2;
#endif
#endif
// --------------------------- NBOR DATA ----------------------------
@ -205,15 +205,16 @@ class BaseThree {
protected:
bool _compiled;
int _block_pair, _block_size, _threads_per_atom, _end_command_queue;
int _gpu_nbor;
double _max_bytes, _max_an_bytes;
double _gpu_overhead, _driver_overhead;
UCL_D_Vec<int> *_nbor_data;
void compile_kernels(UCL_Device &dev, const void *pair_string,
void compile_kernels(UCL_Device &dev, const void *pair_string,
const char *k_two, const char *k_three_center,
const char *k_three_end);
virtual void loop(const bool _eflag, const bool _vflag,
virtual void loop(const bool _eflag, const bool _vflag,
const int evatom) = 0;
};