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Templatize doubles

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This commit is contained in:
Alejandro Gallo 2022-01-27 20:45:38 +01:00
parent 9d684b6624
commit c7c6db77dc
1 changed files with 77 additions and 59 deletions
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@ -1608,11 +1608,11 @@ namespace atrip {
( size_t No
, size_t Nv
, const ABCTuple &abc
, double const* Tph
, double const* VABij
, double const* VACij
, double const* VBCij
, double *Zijk
, F const* Tph
, F const* VABij
, F const* VACij
, F const* VBCij
, F *Zijk
) {
const size_t a(abc[0]), b(abc[1]), c(abc[2]);
for (size_t k=0; k < No; k++)
@ -1627,31 +1627,32 @@ namespace atrip {
}
}
template <typename F=double>
void doublesContribution
( const ABCTuple &abc
, size_t const No
, size_t const Nv
// -- VABCI
, double const* VABph
, double const* VACph
, double const* VBCph
, double const* VBAph
, double const* VCAph
, double const* VCBph
, F const* VABph
, F const* VACph
, F const* VBCph
, F const* VBAph
, F const* VCAph
, F const* VCBph
// -- VHHHA
, double const* VhhhA
, double const* VhhhB
, double const* VhhhC
, F const* VhhhA
, F const* VhhhB
, F const* VhhhC
// -- TA
, double const* TAphh
, double const* TBphh
, double const* TCphh
, F const* TAphh
, F const* TBphh
, F const* TCphh
// -- TABIJ
, double const* TABhh
, double const* TAChh
, double const* TBChh
, F const* TABhh
, F const* TAChh
, F const* TBChh
// -- TIJK
, double *Tijk
, F *Tijk
, atrip::Timings& chrono
) {
@ -1671,7 +1672,7 @@ namespace atrip {
} \
t_reorder.stop();
#define DGEMM_PARTICLES(__A, __B) \
atrip::dgemm_( "T" \
atrip::xgemm<F>( "T" \
, "N" \
, (int const*)&NoNo \
, (int const*)&No \
@ -1686,7 +1687,7 @@ namespace atrip {
, (int const*)&NoNo \
);
#define DGEMM_HOLES(__A, __B, __TRANSB) \
atrip::dgemm_( "N" \
atrip::xgemm<F>( "N" \
, __TRANSB \
, (int const*)&NoNo \
, (int const*)&No \
@ -1700,10 +1701,17 @@ namespace atrip {
, _t_buffer.data() \
, (int const*)&NoNo \
);
#define MAYBE_CONJ(_conj, _buffer) \
if (traits::isComplex<F>()) { \
for (size_t __i = 0; __i < NoNoNo; ++__i) \
_conj[__i] = std::conj(_buffer[__i]); \
} else { \
for (size_t __i = 0; __i < NoNoNo; ++__i) \
_conj[__i] = _buffer[__i]; \
}
using F = double;
const size_t NoNoNo = No*NoNo;
std::vector<double> _t_buffer;
std::vector<F> _t_buffer;
_t_buffer.reserve(NoNoNo);
F one{1.0}, m_one{-1.0}, zero{0.0};
@ -1716,38 +1724,48 @@ namespace atrip {
chrono["doubles:holes"].start();
{ // Holes part ============================================================
std::vector<F> _vhhh(NoNoNo);
// VhhhC[i + k*No + L*NoNo] * TABhh[L + j*No]; H1
MAYBE_CONJ(_vhhh, VhhhC)
chrono["doubles:holes:1"].start();
DGEMM_HOLES(VhhhC, TABhh, "N")
DGEMM_HOLES(_vhhh.data(), TABhh, "N")
REORDER(i, k, j)
chrono["doubles:holes:1"].stop();
// VhhhC[j + k*No + L*NoNo] * TABhh[i + L*No]; H0
chrono["doubles:holes:2"].start();
DGEMM_HOLES(VhhhC, TABhh, "T")
DGEMM_HOLES(_vhhh.data(), TABhh, "T")
REORDER(j, k, i)
chrono["doubles:holes:2"].stop();
// VhhhB[i + j*No + L*NoNo] * TAChh[L + k*No]; H5
MAYBE_CONJ(_vhhh, VhhhB)
chrono["doubles:holes:3"].start();
DGEMM_HOLES(VhhhB, TAChh, "N")
DGEMM_HOLES(_vhhh.data(), TAChh, "N")
REORDER(i, j, k)
chrono["doubles:holes:3"].stop();
// VhhhB[k + j*No + L*NoNo] * TAChh[i + L*No]; H3
chrono["doubles:holes:4"].start();
DGEMM_HOLES(VhhhB, TAChh, "T")
DGEMM_HOLES(_vhhh.data(), TAChh, "T")
REORDER(k, j, i)
chrono["doubles:holes:4"].stop();
// VhhhA[j + i*No + L*NoNo] * TBChh[L + k*No]; H1
MAYBE_CONJ(_vhhh, VhhhA)
chrono["doubles:holes:5"].start();
DGEMM_HOLES(VhhhA, TBChh, "N")
DGEMM_HOLES(_vhhh.data(), TBChh, "N")
REORDER(j, i, k)
chrono["doubles:holes:5"].stop();
// VhhhA[k + i*No + L*NoNo] * TBChh[j + L*No]; H4
chrono["doubles:holes:6"].start();
DGEMM_HOLES(VhhhA, TBChh, "T")
DGEMM_HOLES(_vhhh.data(), TBChh, "T")
REORDER(k, i, j)
chrono["doubles:holes:6"].stop();
}
chrono["doubles:holes"].stop();
#undef MAYBE_CONJ
chrono["doubles:particles"].start();
{ // Particle part =========================================================