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Feb2021 GPU Package Update - GPU Package Files

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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
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41
lib/gpu/lal_base_ellipsoid.h
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@ -88,10 +88,10 @@ class BaseEllipsoid {
ans->resize(nlocal, success);
if (_multiple_forms) ans->force.zero();
if (olist_size>static_cast<int>(host_olist.numel())) {
host_olist.clear();
int new_size=static_cast<int>(static_cast<double>(olist_size)*1.10);
success=success && (host_olist.alloc(new_size,*ucl_device)==UCL_SUCCESS);
if (olist_size>host_olist_size) {
if (host_olist_size) delete []host_olist;
host_olist_size=static_cast<int>(static_cast<double>(olist_size)*1.10);
host_olist = new int[host_olist_size];
}
nbor->resize(nlocal,host_inum,max_nbors,success);
@ -116,7 +116,7 @@ class BaseEllipsoid {
/// Accumulate timers
inline void acc_timers() {
if (device->time_device()) {
nbor->acc_timers();
nbor->acc_timers(screen);
time_nbor1.add_to_total();
time_ellipsoid.add_to_total();
if (_multiple_forms) {
@ -223,14 +223,40 @@ class BaseEllipsoid {
/// Neighbor data
Neighbor *nbor;
/// ilist with particles sorted by type
UCL_H_Vec<int> host_olist;
int *host_olist;
int host_olist_size;
// ------------------------- DEVICE KERNELS -------------------------
UCL_Program *nbor_program, *ellipsoid_program, *lj_program;
UCL_Program *ellipsoid_program_noev, *lj_program_noev;
UCL_Kernel k_nbor_fast, k_nbor;
UCL_Kernel k_ellipsoid, k_ellipsoid_sphere, k_sphere_ellipsoid;
UCL_Kernel k_lj_fast, k_lj;
UCL_Kernel k_ellipsoid_noev, k_ellipsoid_sphere_noev;
UCL_Kernel k_sphere_ellipsoid_noev, k_lj_fast_noev;
UCL_Kernel *k_elps_sel, *k_elps_sphere_sel, *k_sphere_elps_sel, *k_lj_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 (_multiple_forms == false) {
if (eflag || vflag) k_elps_sel = &k_ellipsoid;
else k_elps_sel = &k_ellipsoid_noev;
} else {
if (eflag || vflag) {
k_elps_sel = &k_ellipsoid;
k_elps_sphere_sel = &k_ellipsoid_sphere;
k_sphere_elps_sel = &k_sphere_ellipsoid;
k_lj_sel = &k_lj_fast;
} else {
k_elps_sel = &k_ellipsoid_noev;
k_elps_sphere_sel = &k_ellipsoid_sphere_noev;
k_sphere_elps_sel = &k_sphere_ellipsoid_noev;
k_lj_sel = &k_lj_fast_noev;
}
}
#endif
}
// --------------------------- TEXTURES -----------------------------
UCL_Texture pos_tex, quat_tex, lj_pos_tex, lj_quat_tex, neigh_tex;
@ -240,7 +266,6 @@ class BaseEllipsoid {
int _block_size, _threads_per_atom;
double _max_bytes, _max_an_bytes;
double _gpu_overhead, _driver_overhead;
UCL_D_Vec<int> *_nbor_data;
// True if we want to use fast GB-sphere or sphere-sphere calculations
bool _multiple_forms;
@ -250,7 +275,7 @@ class BaseEllipsoid {
void compile_kernels(UCL_Device &dev, const void *ellipsoid_string,
const void *lj_string, const char *kname,const bool e_s);
virtual void loop(const bool _eflag, const bool _vflag) = 0;
virtual int loop(const int eflag, const int vflag) = 0;
};
}