ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Feb2021 GPU Package Update - GPU Package Files

Browse Source
This commit is contained in:
Michael Brown
2021-02-15 08:20:50 -08:00
parent 16004e8f45
commit e7e2d2323b
345 changed files with 13424 additions and 7708 deletions
Download Patch File Download Diff File Expand all files Collapse all files

16
lib/gpu/lal_base_charge.h
View File

@ -57,7 +57,7 @@ class BaseCharge {
const void *pair_program, const char *k_name);
/// Estimate the overhead for GPU context changes and CPU driver
void estimate_gpu_overhead();
void estimate_gpu_overhead(const int add_kernels=0);
/// Check if there is enough storage for atom arrays and realloc if not
/** \param success set to false if insufficient memory **/
@ -103,7 +103,7 @@ class BaseCharge {
/// Accumulate timers
inline void acc_timers() {
if (device->time_device()) {
nbor->acc_timers();
nbor->acc_timers(screen);
time_pair.add_to_total();
atom->acc_timers();
ans->acc_timers();
@ -177,9 +177,15 @@ class BaseCharge {
Neighbor *nbor;
// ------------------------- DEVICE KERNELS -------------------------
UCL_Program *pair_program;
UCL_Kernel k_pair_fast, k_pair;
UCL_Program *pair_program, *pair_program_noev;
UCL_Kernel k_pair_fast, k_pair, k_pair_noev, *k_pair_sel;
inline int block_size() { return _block_size; }
inline void set_kernel(const int eflag, const int vflag) {
#if defined(LAL_OCL_EV_JIT)
if (eflag || vflag) k_pair_sel = &k_pair_fast;
else k_pair_sel = &k_pair_noev;
#endif
}
// --------------------------- TEXTURES -----------------------------
UCL_Texture pos_tex;
@ -194,7 +200,7 @@ class BaseCharge {
void compile_kernels(UCL_Device &dev, const void *pair_string, const char *k);
virtual void loop(const bool _eflag, const bool _vflag) = 0;
virtual int loop(const int eflag, const int vflag) = 0;
};
}