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Enabled fphi_uind in hippo/gpu, really need to refactor hippo and amoeba in the GPU lib to remove kernel duplicates

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This commit is contained in:
Trung Nguyen
2022-09-16 14:47:16 -05:00
parent 880f20c285
commit 62ecf98cda
11 changed files with 626 additions and 76 deletions
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24
lib/gpu/lal_base_amoeba.cpp
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@ -65,6 +65,7 @@ int BaseAmoebaT::init_atomic(const int nlocal, const int nall,
const char *k_name_udirect2b,
const char *k_name_umutual2b,
const char *k_name_polar,
const char *k_name_fphi_uind,
const char *k_name_short_nbor,
const char* k_name_special15) {
screen=_screen;
@ -100,7 +101,7 @@ int BaseAmoebaT::init_atomic(const int nlocal, const int nall,
_block_bio_size=device->block_bio_pair();
compile_kernels(*ucl_device,pair_program,k_name_multipole,
k_name_udirect2b, k_name_umutual2b,k_name_polar,
k_name_short_nbor, k_name_special15);
k_name_fphi_uind, k_name_short_nbor, k_name_special15);
if (_threads_per_atom>1 && gpu_nbor==0) {
nbor->packing(true);
@ -934,6 +935,7 @@ void BaseAmoebaT::compile_kernels(UCL_Device &dev, const void *pair_str,
const char *kname_udirect2b,
const char *kname_umutual2b,
const char *kname_polar,
const char *kname_fphi_uind,
const char *kname_short_nbor,
const char* kname_special15) {
if (_compiled)
@ -942,17 +944,17 @@ void BaseAmoebaT::compile_kernels(UCL_Device &dev, const void *pair_str,
if (pair_program) delete pair_program;
pair_program=new UCL_Program(dev);
std::string oclstring = device->compile_string()+" -DEVFLAG=1";
pair_program->load_string(pair_str,oclstring.c_str(),nullptr,screen);
pair_program->load_string(pair_str, oclstring.c_str(),nullptr, screen);
k_multipole.set_function(*pair_program,kname_multipole);
k_udirect2b.set_function(*pair_program,kname_udirect2b);
k_umutual2b.set_function(*pair_program,kname_umutual2b);
k_polar.set_function(*pair_program,kname_polar);
k_fphi_uind.set_function(*pair_program,"k_fphi_uind");
k_short_nbor.set_function(*pair_program,kname_short_nbor);
k_special15.set_function(*pair_program,kname_special15);
pos_tex.get_texture(*pair_program,"pos_tex");
q_tex.get_texture(*pair_program,"q_tex");
k_multipole.set_function(*pair_program, kname_multipole);
k_udirect2b.set_function(*pair_program, kname_udirect2b);
k_umutual2b.set_function(*pair_program, kname_umutual2b);
k_polar.set_function(*pair_program, kname_polar);
k_fphi_uind.set_function(*pair_program, kname_fphi_uind);
k_short_nbor.set_function(*pair_program, kname_short_nbor);
k_special15.set_function(*pair_program, kname_special15);
pos_tex.get_texture(*pair_program, "pos_tex");
q_tex.get_texture(*pair_program, "q_tex");
_compiled=true;