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Source Function Level Max Time Over Threads (s) Time w.r.t. Wall Time (s) Coverage (% app. time) Speedup if no scalar integer Speedup if FP arith vectorized Speedup if fully vectorized Speedup if FP only Number of paths Vectorization Ratio (%) Vector Length Use (%) ORIG / DL1 DL1/CQA(DL1) ORIG (cycles per iteration) STA (ORIG) DL1 (cycles per iteration) STA (DL1) CQA cycles CQA cycles if no scalar integer CQA cycles if FP arith vectorized CQA cycles if fully vectorized CQA cycles if FP only Instance Count min (Iteration count) avg (Iteration count) max (Iteration count) min (Cycles per Iteration) avg (Cycles per Iteration) max (Cycles per Iteration) Nb FP_ADD / CPI Nb FP_MUL / CPI CAP(FP) BW(FP) SAT(FP) CAP(L1R) BW(L1R) SAT(L1R) CAP(L1W) BW(L1W) SAT(L1W) CAP(L2) BW(L2) SAT(L2) CAP(L3) BW(L3) SAT(L3) CAP(RAM_R) CAP(RAM_W)
IDModuleSource LocationSource FunctionLevelMax Time Over Threads (s)Time w.r.t. Wall Time (s)Coverage (% app. time)Speedup if no scalar integerSpeedup if FP arith vectorizedSpeedup if fully vectorizedSpeedup if FP onlyNumber of pathsVectorization Ratio (%)Vector Length Use (%)ORIG / DL1DL1/CQA(DL1)ORIG (cycles per iteration)STA (ORIG)DL1 (cycles per iteration)STA (DL1)CQA cyclesCQA cycles if no scalar integerCQA cycles if FP arith vectorizedCQA cycles if fully vectorizedCQA cycles if FP onlyInstance Countmin (Iteration count)avg (Iteration count)max (Iteration count)min (Cycles per Iteration)avg (Cycles per Iteration)max (Cycles per Iteration)Nb FP_ADD / CPINb FP_MUL / CPICAP(FP)BW(FP)SAT(FP)CAP(L1R)BW(L1R)SAT(L1R)CAP(L1W)BW(L1W)SAT(L1W)CAP(L2)BW(L2)SAT(L2)CAP(L3)BW(L3)SAT(L3)CAP(RAM_R)CAP(RAM_W)
Loop 167libqmcparticle.soParticleBConds.h:188-217void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer > >(qmcplusplus::TinyVector const&, qmcplusplus::VectorSoAContainer > const&, double*, qmcplusplus::VectorSoAContainer >&, int, int, int) const [clone .constprop.0]Single0.720.7252.751.002.158.001.2520.9012.330.991.4470.940.0171.440.0049.5049.5023.006.1939.504771264421.6776870.4971.32651.260.420.281.51169.425.13648.020.45321.41NA32NANA15NANANA
Bucket 7ParticleBConds.h:188-217void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer > >(qmcplusplus::TinyVector const&, qmcplusplus::VectorSoAContainer > const&, double*, qmcplusplus::VectorSoAContainer >&, int, int, int) const [clone .constprop.0]99.921.002.158.001.2520.9012.330.991.4470.940.0171.440.0049.5049.5023.006.1939.500.420.281.51169.425.13648.020.45321.41NA32NANA15NANANA
Loop 557libqmcwfs.soMultiBsplineRef.hpp:72-74miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)Innermost0.20.214.651.001.001.001.041100.00100.009.641.83237.670.2424.670.6812.5012.5012.5012.5012.0025267212121220.17141.693010.670.130.271.21167.575.39648.421.08323.37NA32NANA15NANANA
Bucket 8MultiBsplineRef.hpp:72-74miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)78.181.001.001.001.041100.00100.009.641.83237.670.2424.670.6812.5012.5012.5012.5012.000.130.271.21167.575.39648.421.08323.37NA32NANA15NANANA
Bucket 7MultiBsplineRef.hpp:72-74miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)17.921.001.001.001.041100.00100.003.851.8194.330.6124.500.7112.5012.5012.5012.5012.000.340.683.051619.0813.576421.202.71328.48NA32NANA15NANANA
Bucket 6MultiBsplineRef.hpp:72-74miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)1.731.001.001.001.041100.00100.002.591.8464.331.2624.830.6712.5012.5012.5012.5012.000.500.994.481627.9819.906431.093.983212.44NA32NANA15NANANA
Bucket 9MultiBsplineRef.hpp:72-74miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)1.131.001.001.001.041100.00100.0010.431.79252.170.2724.170.5812.5012.5012.5012.5012.000.130.251.14167.145.08647.931.02323.17NA32NANA15NANANA
Bucket 5MultiBsplineRef.hpp:72-74miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)0.721.001.001.001.041100.00100.00NANANANANANA12.5012.5012.5012.5012.00NANANA16NANA64NANA32NANA32NANA15NANANA
Bucket 11MultiBsplineRef.hpp:72-74miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)0.211.001.001.001.041100.00100.00NANANANANANA12.5012.5012.5012.5012.00NANANA16NANA64NANA32NANA32NANA15NANANA
Loop 561libqmcwfs.soMultiBsplineRef.hpp:252-270void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Innermost0.120.128.791.031.001.001.201100.00100.005.301.14105.630.2719.920.0515.0014.5015.0015.0012.507372848484829.4272.4916891.790.230.453.111619.418.716413.616.063218.93NA32NANA15NANANA
Bucket 7MultiBsplineRef.hpp:252-270void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)75.021.031.001.001.201100.00100.005.301.14105.630.2719.920.0515.0014.5015.0015.0012.500.230.453.111619.418.716413.616.063218.93NA32NANA15NANANA
Bucket 6MultiBsplineRef.hpp:252-270void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)24.251.031.001.001.201100.00100.003.051.2164.330.2521.130.0715.0014.5015.0015.0012.500.370.755.101631.8714.306422.349.953231.09NA32NANA15NANANA
Bucket 9MultiBsplineRef.hpp:252-270void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)0.221.031.001.001.201100.00100.00NANANANANANA15.0014.5015.0015.0012.50NANANA16NANA64NANA32NANA32NANA15NANANA
Loop 373libqmcwfs.soTwoBodyJastrow.h:153-154miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Innermost0.030.032.21.001.488.001.0010.0012.500.971.0532.480.0133.520.0432.0032.0021.684.0032.001152096969632.0632.23230.080.000.000.49163.083.94646.160.00320.00NA32NANA15NANANA
Bucket 6TwoBodyJastrow.h:153-154miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)99.651.001.488.001.0010.0012.500.971.0532.480.0133.520.0432.0032.0021.684.0032.000.000.000.49163.083.94646.160.00320.00NA32NANA15NANANA
Loop 339libqmcwfs.soBsplineFunctor.h:236-241miniqmcreference::TwoBodyJastrowRef >::ratio(qmcplusplus::ParticleSet&, int)Innermost0.030.032.21.471.0012.162.2165610.0010.00NANANANANANA18.7512.7518.751.548.50NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 61libqmcwfs.soBsplineAllocator.hpp:179-180qmcplusplus::BsplineAllocator >::setCoefficientsForOrbitals(int, int, Array&, multi_UBspline_3d_d*) [clone ._omp_fn.0] [clone .lto_priv.0]Innermost0.020.021.831.001.068.002.1310.0012.50NANANANANANA8.508.508.001.064.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 563libqmcwfs.soTinyVector.h:146-146,OperatorTags.h:183-183,einspline_spo_ref.hpp:223-227miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)Innermost0.020.021.471.001.006.4016.00111.1113.89NANANANANANA16.0016.0016.002.501.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 340libqmcwfs.soBsplineFunctor.h:246-260miniqmcreference::TwoBodyJastrowRef >::ratio(qmcplusplus::ParticleSet&, int)Innermost0.010.011.11.004.148.001.1510.0012.50NANANANANANA30.0030.007.253.7526.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 376libqmcwfs.soTwoBodyJastrowRef.h:340-345miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Innermost0.010.011.11.001.438.001.0010.0012.50NANANANANANA32.0032.0022.394.0032.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 369libqmcwfs.soBsplineFunctor.h:291-298miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool)Innermost0.010.011.11.751.0012.632.6265610.009.38NANANANANANA22.2512.7522.251.768.50NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 142libqmcparticle.soostream:667-667,OperatorTags.h:43-183,ParticleIOUtility.h:70-91,char_traits.h:409-409,OhmmsVector.h:223-223,TinyVectorTensorOps.h:150-152qmcplusplus::build_ions(qmcplusplus::ParticleSet&, qmcplusplus::Tensor const&, qmcplusplus::Tensor&)Innermost000.371.211.427.691.79416.6214.38NANANANANANA17.5014.5012.362.279.75NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 354libqmcwfs.soBsplineFunctor.h:305-336miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost000.371.041.001.021.78199.4397.49NANANANANANA94.5091.0094.5092.5853.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 37execTinyVector.h:146-146,OperatorTags.h:53-63,TinyVectorOps.h:85-85,miniqmc.cpp:478-488,stl_vector.h:1126-1126,refwrap.h:347-347main._omp_fn.1Innermost000.372.762.877.6710.44122.2215.28NANANANANANA23.508.508.193.062.25NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 577libqmcwfs.soinner_product.hpp:210-211qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)Innermost000.371.001.008.001.0010.0012.50NANANANANANA8.008.008.001.008.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 371libqmcwfs.soBsplineFunctor.h:305-336miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool)Innermost000.371.041.001.021.78199.4397.49NANANANANANA94.5091.0094.5092.5853.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 610libqmcwfs.soOperatorTags.h:63-94,inner_product.hpp:154-154miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost000.371.001.506.221.00136.3617.05NANANANANANA16.0016.0010.642.5716.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 417libqmcwfs.soOneBodyJastrow.h:196-197miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Innermost000.371.001.488.001.0010.0012.50NANANANANANA32.0032.0021.684.0032.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 374libqmcwfs.sostl_numeric.h:140-141miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single000.371.002.268.001.0010.0012.50NANANANANANA32.0032.0014.184.0032.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 56libqmcparticle.soDistanceTableBA.h:99-101,ParticleBConds.h:249-278qmcplusplus::DistanceTableBA::evaluate(qmcplusplus::ParticleSet&)Innermost000.371.023.358.081.2820.9412.56NANANANANANA50.5049.5015.066.2539.50NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 613libqmcwfs.soOperatorTags.h:63-94,inner_product.hpp:154-154miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single000.371.001.446.251.00133.3316.67NANANANANANA16.0016.0011.122.5616.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 609libqmcwfs.soinner_product.hpp:81-82miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost000.371.001.488.001.0010.0012.50NANANANANANA32.0032.0021.684.0032.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 614libqmcwfs.soOperatorTags.h:63-94,inner_product.hpp:154-154miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)Single000.371.001.476.401.00128.5716.07NANANANANANA16.0016.0010.882.5016.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 611libqmcwfs.soinner_product.hpp:81-82miniqmcreference::DiracDeterminantRef >::ratio(qmcplusplus::ParticleSet&, int)Single000.371.001.548.001.0010.0012.50NANANANANANA32.0032.0020.804.0032.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
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