Add support for only calculating DGEMM parts ATRIP_ONLY_DGEMM
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@ -646,6 +646,9 @@ Atrip::Output Atrip::run(Atrip::Input<F> const& in) {
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// COMPUTE SINGLES %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% {{{1
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OCD_Barrier(universe);
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#if defined(ATRIP_ONLY_DGEMM)
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if (false)
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#endif
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if (!isFakeTuple(i)) {
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WITH_CHRONO("oneshot-unwrap",
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WITH_CHRONO("unwrap",
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@ -678,6 +681,9 @@ Atrip::Output Atrip::run(Atrip::Input<F> const& in) {
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// COMPUTE ENERGY %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% {{{1
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#if defined(ATRIP_ONLY_DGEMM)
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if (false)
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#endif
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if (!isFakeTuple(i)) {
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double tupleEnergy(0.);
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@ -151,12 +151,11 @@ namespace cuda {
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KJI
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};
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/*
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/*
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* Please the c++ type checker and template creator
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* in order to have an argument in the signature of
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* the function that helps the compiler know which
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* instantiation it should take.
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*
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*/
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template <typename F, reordering_t R>
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struct reorder_proxy {};
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@ -436,22 +435,20 @@ double getEnergySame
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, DataFieldType<F>* Tijk_
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) {
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const size_t a = abc[0], b = abc[1], c = abc[2]
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, NoNo = No*No
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;
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const size_t NoNo = No*No;
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DataFieldType<F>* Tijk = (DataFieldType<F>*)Tijk_;
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#if defined(ATRIP_USE_DGEMM)
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#if defined(HAVE_CUDA)
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#define REORDER(__II, __JJ, __KK) \
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reorder<<<bs, ths>>>(reorder_proxy< \
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DataFieldType<F>, \
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__II ## __JJ ## __KK \
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>{}, \
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No, \
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Tijk, \
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_t_buffer);
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#define REORDER(__II, __JJ, __KK) \
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reorder<<<bs, ths>>>(reorder_proxy< \
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DataFieldType<F>, \
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__II ## __JJ ## __KK \
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>{}, \
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No, \
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Tijk, \
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_t_buffer)
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#define DGEMM_PARTICLES(__A, __B) \
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atrip::xgemm<F>("T", \
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"N", \
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@ -481,11 +478,18 @@ double getEnergySame
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_t_buffer, \
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(int const*)&NoNo \
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)
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#define MAYBE_CONJ(_conj, _buffer) \
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cuda::maybeConjugate<<< \
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Atrip::kernelDimensions.ooo.blocks, \
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Atrip::kernelDimensions.ooo.threads \
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>>>((DataFieldType<F>*)_conj, (DataFieldType<F>*)_buffer, NoNoNo);
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#define MAYBE_CONJ(_conj, _buffer) \
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do { \
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cuda::maybeConjugate<<< \
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\
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Atrip::kernelDimensions.ooo.blocks, \
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\
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Atrip::kernelDimensions.ooo.threads \
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\
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>>>((DataFieldType<F>*)_conj, \
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(DataFieldType<F>*)_buffer, \
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NoNoNo); \
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} while (0)
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// END CUDA ////////////////////////////////////////////////////////////////////
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@ -500,7 +504,9 @@ double getEnergySame
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#define REORDER(__II, __JJ, __KK) \
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reorder(reorder_proxy<DataFieldType<F>, \
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__II ## __JJ ## __KK >{}, \
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No, Tijk, _t_buffer);
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No, \
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Tijk, \
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_t_buffer)
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#define DGEMM_PARTICLES(__A, __B) \
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atrip::xgemm<F>("T", \
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"N", \
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@ -531,9 +537,13 @@ double getEnergySame
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_t_buffer, \
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(int const*)&NoNo \
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)
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#define MAYBE_CONJ(_conj, _buffer) \
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for (size_t __i = 0; __i < NoNoNo; ++__i) \
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_conj[__i] = maybeConjugate<F>(_buffer[__i]);
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#define MAYBE_CONJ(_conj, _buffer) \
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do { \
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for (size_t __i = 0; __i < NoNoNo; ++__i) { \
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_conj[__i] \
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= maybeConjugate<F>(_buffer[__i]); \
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} \
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} while (0)
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#endif
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F one{1.0}, m_one{-1.0}, zero{0.0};
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@ -552,8 +562,12 @@ double getEnergySame
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const size_t
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bs = Atrip::kernelDimensions.ooo.blocks,
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ths = Atrip::kernelDimensions.ooo.threads;
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#if !defined(ATRIP_ONLY_DGEMM)
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cuda::zeroing<<<bs, ths>>>((DataFieldType<F>*)_t_buffer, NoNoNo);
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cuda::zeroing<<<bs, ths>>>((DataFieldType<F>*)_vhhh, NoNoNo);
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#endif
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#else
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DataFieldType<F>* _t_buffer = (DataFieldType<F>*)malloc(NoNoNo * sizeof(F));
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DataFieldType<F>* _vhhh = (DataFieldType<F>*)malloc(NoNoNo * sizeof(F));
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@ -565,7 +579,7 @@ double getEnergySame
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#endif
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// Set Tijk to zero
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#ifdef HAVE_CUDA
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#if defined(HAVE_CUDA) && !defined(ATRIP_ONLY_DGEMM)
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WITH_CHRONO("double:reorder",
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cuda::zeroing<<<bs, ths>>>((DataFieldType<F>*)Tijk,
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NoNoNo);
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@ -577,43 +591,51 @@ double getEnergySame
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})
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#endif
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#if defined(ATRIP_ONLY_DGEMM)
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#undef MAYBE_CONJ
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#undef REORDER
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#define MAYBE_CONJ(a, b) do {} while(0)
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#define REORDER(i, j, k) do {} while(0)
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#endif
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// HOLES
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WITH_CHRONO("doubles:holes",
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{
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// VhhhC[i + k*No + L*NoNo] * TABhh[L + j*No]; H1
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MAYBE_CONJ(_vhhh, VhhhC)
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MAYBE_CONJ(_vhhh, VhhhC);
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WITH_CHRONO("doubles:holes:1",
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DGEMM_HOLES(_vhhh, TABhh, "N");
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REORDER(I, K, J)
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REORDER(I, K, J);
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)
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// VhhhC[j + k*No + L*NoNo] * TABhh[i + L*No]; H0
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WITH_CHRONO("doubles:holes:2",
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DGEMM_HOLES(_vhhh, TABhh, "T");
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REORDER(J, K, I)
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REORDER(J, K, I);
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)
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// VhhhB[i + j*No + L*NoNo] * TAChh[L + k*No]; H5
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MAYBE_CONJ(_vhhh, VhhhB)
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MAYBE_CONJ(_vhhh, VhhhB);
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WITH_CHRONO("doubles:holes:3",
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DGEMM_HOLES(_vhhh, TAChh, "N");
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REORDER(I, J, K)
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REORDER(I, J, K);
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)
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// VhhhB[k + j*No + L*NoNo] * TAChh[i + L*No]; H3
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WITH_CHRONO("doubles:holes:4",
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DGEMM_HOLES(_vhhh, TAChh, "T");
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REORDER(K, J, I)
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REORDER(K, J, I);
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)
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// VhhhA[j + i*No + L*NoNo] * TBChh[L + k*No]; H1
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MAYBE_CONJ(_vhhh, VhhhA)
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MAYBE_CONJ(_vhhh, VhhhA);
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WITH_CHRONO("doubles:holes:5",
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DGEMM_HOLES(_vhhh, TBChh, "N");
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REORDER(J, I, K)
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REORDER(J, I, K);
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)
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// VhhhA[k + i*No + L*NoNo] * TBChh[j + L*No]; H4
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WITH_CHRONO("doubles:holes:6",
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DGEMM_HOLES(_vhhh, TBChh, "T");
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REORDER(K, I, J)
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REORDER(K, I, J);
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)
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}
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)
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@ -625,32 +647,32 @@ double getEnergySame
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// TAphh[E + i*Nv + j*NoNv] * VBCph[E + k*Nv]; P0
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WITH_CHRONO("doubles:particles:1",
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DGEMM_PARTICLES(TAphh, VBCph);
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REORDER(I, J, K)
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REORDER(I, J, K);
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)
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// TAphh[E + i*Nv + k*NoNv] * VCBph[E + j*Nv]; P3
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WITH_CHRONO("doubles:particles:2",
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DGEMM_PARTICLES(TAphh, VCBph);
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REORDER(I, K, J)
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REORDER(I, K, J);
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)
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// TCphh[E + k*Nv + i*NoNv] * VABph[E + j*Nv]; P5
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WITH_CHRONO("doubles:particles:3",
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DGEMM_PARTICLES(TCphh, VABph);
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REORDER(K, I, J)
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REORDER(K, I, J);
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)
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// TCphh[E + k*Nv + j*NoNv] * VBAph[E + i*Nv]; P2
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WITH_CHRONO("doubles:particles:4",
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DGEMM_PARTICLES(TCphh, VBAph);
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REORDER(K, J, I)
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REORDER(K, J, I);
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)
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// TBphh[E + j*Nv + i*NoNv] * VACph[E + k*Nv]; P1
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WITH_CHRONO("doubles:particles:5",
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DGEMM_PARTICLES(TBphh, VACph);
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REORDER(J, I, K)
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REORDER(J, I, K);
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)
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// TBphh[E + j*Nv + k*NoNv] * VCAph[E + i*Nv]; P4
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WITH_CHRONO("doubles:particles:6",
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DGEMM_PARTICLES(TBphh, VCAph);
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REORDER(J, K, I)
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REORDER(J, K, I);
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)
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}
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)
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