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Merge pull request #245 from toxa81/develop
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fix timer names
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@toxa81
toxa81 authored Aug 2, 2018
2 parents 85f0701 + df6ba1f commit dbee1d8
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Showing 3 changed files with 21 additions and 686 deletions.
8 changes: 6 additions & 2 deletions src/Hamiltonian/get_h_o_diag.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -3,6 +3,8 @@ Hamiltonian::get_h_diag(K_point* kp__,
double v0__,
double theta0__) const
{
PROFILE("sirius::Hamiltonian::get_h_diag");

// TODO: code is replicated in o_diag
splindex<block> spl_num_atoms(unit_cell_.num_atoms(), kp__->comm().size(), kp__->comm().rank());
int nlo{0};
Expand Down Expand Up @@ -62,6 +64,8 @@ inline mdarray<double, 1>
Hamiltonian::get_o_diag(K_point* kp__,
double theta0__) const
{
PROFILE("sirius::Hamiltonian::get_o_diag");

splindex<block> spl_num_atoms(unit_cell_.num_atoms(), kp__->comm().size(), kp__->comm().rank());
int nlo{0};
for (int ialoc = 0; ialoc < spl_num_atoms.local_size(); ialoc++) {
Expand Down Expand Up @@ -102,7 +106,7 @@ template <typename T>
inline mdarray<double, 2>
Hamiltonian::get_h_diag(K_point* kp__) const
{
PROFILE("sirius::Band::get_h_diag");
PROFILE("sirius::Hamiltonian::get_h_diag");

mdarray<double, 2> h_diag(kp__->num_gkvec_loc(), ctx_.num_spins());

Expand Down Expand Up @@ -164,7 +168,7 @@ template <typename T>
inline mdarray<double, 1>
Hamiltonian::get_o_diag(K_point* kp__) const
{
PROFILE("sirius::Band::get_o_diag");
PROFILE("sirius::Hamiltonian::get_o_diag");

mdarray<double, 1> o_diag(kp__->num_gkvec_loc());
for (int ig = 0; ig < kp__->num_gkvec_loc(); ig++) {
Expand Down
30 changes: 15 additions & 15 deletions src/Hamiltonian/set_lapw_h_o.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -27,7 +27,7 @@ inline void Hamiltonian::set_fv_h_o<CPU, electronic_structure_method_t::full_pot
dmatrix<double_complex>& h__,
dmatrix<double_complex>& o__) const
{
PROFILE("sirius::Band::set_fv_h_o");
PROFILE("sirius::Hamiltonian::set_fv_h_o");

h__.zero();
o__.zero();
Expand All @@ -48,7 +48,7 @@ inline void Hamiltonian::set_fv_h_o<CPU, electronic_structure_method_t::full_pot
oalm_col = mdarray<double_complex, 2>(alm_col.at<CPU>(), kp__->num_gkvec_col(), max_mt_aw);
}

utils::timer t1("sirius::Band::set_fv_h_o|zgemm");
utils::timer t1("sirius::Hamiltonian::set_fv_h_o|zgemm");
/* loop over blocks of atoms */
for (int iblk = 0; iblk < nblk; iblk++) {
/* number of matching AW coefficients in the block */
Expand Down Expand Up @@ -146,9 +146,9 @@ inline void Hamiltonian::set_fv_h_o<GPU, electronic_structure_method_t::full_pot
dmatrix<double_complex>& h__,
dmatrix<double_complex>& o__) const
{
PROFILE("sirius::Band::set_fv_h_o");
PROFILE("sirius::Hamiltonian::set_fv_h_o");

utils::timer t2("sirius::Band::set_fv_h_o|alloc");
utils::timer t2("sirius::Hamiltonian::set_fv_h_o|alloc");
h__.allocate(memory_t::device);
h__.zero<memory_t::host | memory_t::device>();

Expand All @@ -172,7 +172,7 @@ inline void Hamiltonian::set_fv_h_o<GPU, electronic_structure_method_t::full_pot
MEMORY_USAGE_INFO();
}

utils::timer t1("sirius::Band::set_fv_h_o|zgemm");
utils::timer t1("sirius::Hamiltonian::set_fv_h_o|zgemm");
for (int iblk = 0; iblk < nblk; iblk++) {
int num_mt_aw = 0;
std::vector<int> offsets(num_atoms_in_block);
Expand Down Expand Up @@ -354,7 +354,7 @@ inline void Hamiltonian::set_fv_h_o_it(K_point* kp,
mdarray<double_complex, 2>& h,
mdarray<double_complex, 2>& o) const
{
PROFILE("sirius::Band::set_fv_h_o_it");
PROFILE("sirius::Hamiltonian::set_fv_h_o_it");

//#ifdef __PRINT_OBJECT_CHECKSUM
//double_complex z1 = mdarray<double_complex, 1>(&effective_potential->f_pw(0), ctx_.gvec().num_gvec()).checksum();
Expand Down Expand Up @@ -395,7 +395,7 @@ inline void Hamiltonian::set_fv_h_o_lo_lo(K_point* kp,
mdarray<double_complex, 2>& h,
mdarray<double_complex, 2>& o) const
{
PROFILE("sirius::Band::set_fv_h_o_lo_lo");
PROFILE("sirius::Hamiltonian::set_fv_h_o_lo_lo");

/* lo-lo block */
#pragma omp parallel for default(shared)
Expand Down Expand Up @@ -435,7 +435,7 @@ inline void Hamiltonian::set_fv_h_o_lo_lo(K_point* kp,
inline void Hamiltonian::set_o_lo_lo(K_point* kp,
mdarray<double_complex, 2>& o) const
{
PROFILE("sirius::Band::set_o_lo_lo");
PROFILE("sirius::Hamiltonian::set_o_lo_lo");

/* lo-lo block */
#pragma omp parallel for default(shared)
Expand Down Expand Up @@ -463,7 +463,7 @@ inline void Hamiltonian::set_o_lo_lo(K_point* kp,
inline void Hamiltonian::set_o_it(K_point* kp,
mdarray<double_complex, 2>& o) const
{
PROFILE("sirius::Band::set_o_it");
PROFILE("sirius::Hamiltonian::set_o_it");

#pragma omp parallel for default(shared)
for (int igk_col = 0; igk_col < kp->num_gkvec_col(); igk_col++) {
Expand All @@ -481,7 +481,7 @@ inline void Hamiltonian::set_o_it(K_point* kp,
//void Band::set_h_apw_lo(K_point* kp, Atom_type* type, Atom* atom, int ia, mdarray<double_complex, 2>& alm,
// mdarray<double_complex, 2>& h)
//{
// Timer t("sirius::Band::set_h_apw_lo");
// Timer t("sirius::Hamiltonian::set_h_apw_lo");
//
// int apw_offset_col = kp->apw_offset_col();
//
Expand Down Expand Up @@ -548,7 +548,7 @@ template <spin_block_t sblock>
void Hamiltonian::set_h_it(K_point* kp, Periodic_function<double>* effective_potential,
Periodic_function<double>* effective_magnetic_field[3], mdarray<double_complex, 2>& h) const
{
PROFILE("sirius::Band::set_h_it");
PROFILE("sirius::Hamiltonian::set_h_it");

STOP(); // effective potential is now stored in the veff_pw_ auxiliary array. Fix this.

Expand Down Expand Up @@ -598,7 +598,7 @@ void Hamiltonian::set_h_it(K_point* kp, Periodic_function<double>* effective_pot
template <spin_block_t sblock>
void Hamiltonian::set_h_lo_lo(K_point* kp, mdarray<double_complex, 2>& h) const
{
PROFILE("sirius::Band::set_h_lo_lo");
PROFILE("sirius::Hamiltonian::set_h_lo_lo");

/* lo-lo block */
#pragma omp parallel for default(shared)
Expand All @@ -624,7 +624,7 @@ void Hamiltonian::set_h_lo_lo(K_point* kp, mdarray<double_complex, 2>& h) const
//== void Band::set_h(K_point* kp, Periodic_function<double>* effective_potential,
//== Periodic_function<double>* effective_magnetic_field[3], mdarray<double_complex, 2>& h)
//== {
//== Timer t("sirius::Band::set_h");
//== Timer t("sirius::Hamiltonian::set_h");
//==
//== // index of column apw coefficients in apw array
//== int apw_offset_col = kp->apw_offset_col();
Expand Down Expand Up @@ -664,7 +664,7 @@ void Hamiltonian::set_h_lo_lo(K_point* kp, mdarray<double_complex, 2>& h) const
//void Band::set_o_apw_lo(K_point* kp, Atom_type* type, Atom* atom, int ia, mdarray<double_complex, 2>& alm,
// mdarray<double_complex, 2>& o)
//{
// Timer t("sirius::Band::set_o_apw_lo");
// Timer t("sirius::Hamiltonian::set_o_apw_lo");
//
// int apw_offset_col = kp->apw_offset_col();
//
Expand Down Expand Up @@ -710,7 +710,7 @@ void Hamiltonian::set_h_lo_lo(K_point* kp, mdarray<double_complex, 2>& h) const

//== void Band::set_o(K_point* kp, mdarray<double_complex, 2>& o)
//== {
//== Timer t("sirius::Band::set_o");
//== Timer t("sirius::Hamiltonian::set_o");
//==
//== // index of column apw coefficients in apw array
//== int apw_offset_col = kp->apw_offset_col();
Expand Down
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