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Expert Summary

Colums Filter

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 1107execParticleBConds.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 .isra.0]Single39.4339.4340.421.002.158.001.2520.9012.330.991.4570.850.0071.600.0149.5049.5023.006.1939.5019016461446144614470.7371.25240.150.420.281.51169.435.14648.030.45321.41NA32NANA15NANANA
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 .isra.0]99.911.002.158.001.2520.9012.330.991.4570.850.0071.600.0149.5049.5023.006.1939.500.420.281.51169.435.14648.030.45321.41NA32NANA15NANANA
Bucket 8ParticleBConds.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 .isra.0]0.091.002.158.001.2520.9012.33NANANANANANA49.5049.5023.006.1939.50NANANA16NANA64NANA32NANA32NANA15NANANA
Loop 661execMultiBsplineRef.hpp:72-74miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)Innermost15.4815.4815.871.001.001.001.041100.00100.0012.271.13187.170.0615.250.0812.5012.5012.5012.5012.00196128096969637.98174.978285.150.170.341.54169.626.846410.691.37324.27NA32NANA15NANANA
Bucket 8MultiBsplineRef.hpp:72-74miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)96.131.001.001.001.041100.00100.0012.271.13187.170.0615.250.0812.5012.5012.5012.5012.000.170.341.54169.626.846410.691.37324.27NA32NANA15NANANA
Bucket 7MultiBsplineRef.hpp:72-74miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)3.341.001.001.001.041100.00100.007.721.13118.270.4315.310.0912.5012.5012.5012.5012.000.270.542.441615.2210.826416.912.16326.76NA32NANA15NANANA
Bucket 9MultiBsplineRef.hpp:72-74miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)0.451.001.001.001.041100.00100.00NANANANANANA12.5012.5012.5012.5012.00NANANA16NANA64NANA32NANA32NANA15NANANA
Bucket 12MultiBsplineRef.hpp:72-74miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)0.051.001.001.001.041100.00100.00NANANANANANA12.5012.5012.5012.5012.00NANANA16NANA64NANA32NANA32NANA15NANANA
Bucket 10MultiBsplineRef.hpp:72-74miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)0.011.001.001.001.041100.00100.00NANANANANANA12.5012.5012.5012.5012.00NANANA16NANA64NANA32NANA32NANA15NANANA
Bucket 6MultiBsplineRef.hpp:72-74miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)0.011.001.001.001.041100.00100.00NANANANANANA12.5012.5012.5012.5012.00NANANA16NANA64NANA32NANA32NANA15NANANA
Loop 739execMultiBsplineRef.hpp:252-270void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Innermost8.468.468.671.031.001.001.201100.00100.004.621.0484.090.0218.180.0115.0014.5015.0015.0012.5058982438438438466.786.792132.020.290.573.901624.3810.946417.107.613223.78NA32NANA15NANANA
Bucket 7MultiBsplineRef.hpp:252-270void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)99.361.031.001.001.201100.00100.004.621.0484.090.0218.180.0115.0014.5015.0015.0012.500.290.573.901624.3810.946417.107.613223.78NA32NANA15NANANA
Bucket 8MultiBsplineRef.hpp:252-270void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)0.561.031.001.001.201100.00100.00NANANANANANA15.0014.5015.0015.0012.50NANANA16NANA64NANA32NANA32NANA15NANANA
Bucket 9MultiBsplineRef.hpp:252-270void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)0.021.031.001.001.201100.00100.00NANANANANANA15.0014.5015.0015.0012.50NANANA16NANA64NANA32NANA32NANA15NANANA
Loop 1106execParticleBConds.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 .isra.0]Single3.113.113.191.002.158.001.2520.9012.331.011.4472.400.0271.390.0149.5049.5023.006.1939.5018402051251251270.6871.381632.190.410.281.48169.235.03647.860.44321.38NA32NANA15NANANA
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 .isra.0]99.911.002.158.001.2520.9012.331.011.4472.400.0271.390.0149.5049.5023.006.1939.500.410.281.48169.235.03647.860.44321.38NA32NANA15NANANA
Loop 597execTwoBodyJastrowRef.h:153-154miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Innermost1.21.21.231.001.488.001.0010.0012.50NANANANANANA32.0032.0021.684.0032.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 838execinner_product.hpp:81-82miniqmcreference::DiracDeterminantRef >::ratio(qmcplusplus::ParticleSet&, int)Single0.740.740.761.001.548.001.0010.0012.50NANANANANANA32.0032.0020.804.0032.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 741execOperatorTags.h:183-183,einspline_spo_ref.hpp:223-227,TinyVector.h:146-146miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)Innermost0.710.710.731.001.006.4016.00111.1113.89NANANANANANA16.0016.0016.002.501.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 307execBsplineFunctor.h:236-241miniqmcreference::TwoBodyJastrowRef >::ratio(qmcplusplus::ParticleSet&, int)Innermost0.70.70.721.471.0012.162.2165610.0010.00NANANANANANA18.7512.7518.751.548.50NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 594execTwoBodyJastrowRef.h:340-345miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Innermost0.580.580.61.001.438.001.0010.0012.50NANANANANANA32.0032.0022.394.0032.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 837execOperatorTags.h:63-94,inner_product.hpp:154-154miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)Single0.410.410.431.001.476.401.00128.5716.07NANANANANANA16.0016.0010.882.5016.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 583execBsplineFunctor.h:291-298qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constSingle0.370.370.371.551.0012.662.6565610.009.38NANANANANANA22.5014.5022.501.788.50NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 831execOperatorTags.h:63-94,inner_product.hpp:154-154miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.340.340.351.001.506.221.00136.3617.05NANANANANANA16.0016.0010.642.5716.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 738execMultiBsplineRef.hpp:287-295void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Single0.340.340.351.001.001.002.001100.00100.00NANANANANANA18.0018.0018.0018.009.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 598execstl_numeric.h:140-141miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.330.330.341.002.268.001.0010.0012.50NANANANANANA32.0032.0014.184.0032.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 595execTwoBodyJastrowRef.h:322-329,stl_vector.h:1123-1123miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.290.290.31.001.098.001.0910.0012.50NANANANANANA17.5017.5016.002.1916.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 854execinner_product.hpp:210-211miniqmcreference::DiracDeterminantRef >::invertPsiM(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&)Innermost0.240.240.251.001.008.001.0010.0012.50NANANANANANA8.008.008.001.008.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 825execOperatorTags.h:63-94,inner_product.hpp:154-154miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.220.220.231.001.446.251.00133.3316.67NANANANANANA16.0016.0011.122.5616.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 830execinner_product.hpp:81-82miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.20.20.211.001.488.001.0010.0012.50NANANANANANA32.0032.0021.684.0032.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 656execBsplineAllocator.hpp:179-180qmcplusplus::BsplineAllocator >::setCoefficientsForOrbitals(int, int, Array&, multi_UBspline_3d_d*) [clone ._omp_fn.0]Innermost0.190.190.191.001.068.002.1310.0012.50NANANANANANA8.508.508.001.064.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 308execBsplineFunctor.h:246-260,stl_vector.h:1142-1142miniqmcreference::TwoBodyJastrowRef >::ratio(qmcplusplus::ParticleSet&, int)Innermost0.180.180.191.004.148.001.1510.0012.50NANANANANANA30.0030.007.253.7526.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 824execinner_product.hpp:81-82miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.160.160.161.001.548.001.0010.0012.50NANANANANANA32.0032.0020.804.0032.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 575execTwoBodyJastrowRef.h:379-380miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.140.140.141.001.488.001.0010.0012.50NANANANANANA32.0032.0021.684.0032.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 601execOneBodyJastrowRef.h:196-197miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Innermost0.110.110.111.001.488.001.0010.0012.50NANANANANANA32.0032.0021.684.0032.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 1149execParticleBConds.h:249-278,DistanceTableBA.h:99-101qmcplusplus::DistanceTableBA::evaluate(qmcplusplus::ParticleSet&)Innermost0.10.10.111.023.358.081.2820.9412.56NANANANANANA50.5049.5015.066.2539.50NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 1243execNewTimer.h:119-119,stl_tree.h:790-1953qmcplusplus::TimerType::stop()Single0.070.070.071.001.008.002.0050.0012.50NANANANANANA4.004.004.000.502.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 861execinner_product.hpp:81-82miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.050.050.061.001.488.001.0010.0012.50NANANANANANA32.0032.0021.684.0032.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 860execOperatorTags.h:63-94,inner_product.hpp:154-154miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.050.050.061.001.506.221.00136.3617.05NANANANANANA16.0016.0010.642.5716.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 585execBsplineFunctor.h:305-336qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constSingle0.050.050.061.051.512.201.591100.0048.99NANANANANANA81.2577.7553.6736.8851.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 644execBsplineFunctor.h:236-241qmcplusplus::BsplineFunctor::evaluateV(int, int, int, double const*, double*) constSingle0.050.050.061.471.0012.162.2165610.0010.00NANANANANANA18.7512.7518.751.548.50NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 574execTwoBodyJastrowRef.h:386-389miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.040.040.041.001.028.001.7110.0012.50NANANANANANA20.5020.5020.002.5612.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 845execOperatorTags.h:183-183,stl_algobase.h:918-918miniqmcreference::DiracDeterminantRef >::resize(int, int)Innermost0.030.030.042.001.006.4016.00150.0015.63NANANANANANA16.008.0016.002.501.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 573execTwoBodyJastrowRef.h:395-396miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.030.030.041.001.008.003.0010.0012.50NANANANANANA12.0012.0012.001.504.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 577execstl_numeric.h:140-141miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.030.030.031.002.268.001.0010.0012.50NANANANANANA32.0032.0014.184.0032.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 81execTinyVectorOps.h:85-85,OperatorTags.h:53-63,stl_vector.h:1126-1126,miniqmc.cpp:478-488,refwrap.h:347-347,TinyVector.h:146-146main._omp_fn.1Innermost0.030.030.032.942.877.6711.75122.2215.28NANANANANANA23.508.008.193.062.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 576execTwoBodyJastrowRef.h:373-374miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.030.030.031.001.608.001.0010.0012.50NANANANANANA32.0032.0020.004.0032.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 80execminiqmc.cpp:476-478main._omp_fn.1Innermost0.020.020.031.451.0012.952.0010.0010.71NANANANANANA4.002.754.000.312.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 602execOneBodyJastrowRef.h:190-191miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.020.020.031.001.958.001.0010.0012.50NANANANANANA32.0032.0016.444.0032.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 1239execNewTimer.h:119-119,stl_tree.h:790-1953qmcplusplus::TimerType::stop()Single0.020.020.031.001.008.002.0050.0012.50NANANANANANA4.004.004.000.502.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 578execBsplineFunctor.h:291-298miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.020.020.021.751.0012.632.6265610.009.38NANANANANANA22.2512.7522.251.768.50NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 306execTwoBodyJastrowRef.h:125-130,ParticleSet.h:302-305,BsplineFunctor.h:232-260,OhmmsVector.h:227-227,stl_vector.h:1142-1145miniqmcreference::TwoBodyJastrowRef >::ratio(qmcplusplus::ParticleSet&, int)Outermost0.020.020.021.482.2211.242.2210000121.1411.58NANANANANANA42.2528.5019.003.7619.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 660execMultiBsplineEvalHelper.hpp:55-65,MultiBsplineRef.hpp:42-74,einspline_spo_ref.hpp:175-176,stl_vector.h:1258-1258,stl_algobase.h:930-931,MultiBsplineData.hpp:54-57miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)Outermost0.010.010.021.481.798.422.23345612.0614.67NANANANANANA48.0032.5026.885.7021.50NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 645execBsplineFunctor.h:246-260,stl_vector.h:1142-1142qmcplusplus::BsplineFunctor::evaluateV(int, int, int, double const*, double*) constSingle0.010.010.021.004.148.001.1510.0012.50NANANANANANA30.0030.007.253.7526.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 600execstl_numeric.h:140-141miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.010.010.021.002.268.001.0010.0012.50NANANANANANA32.0032.0014.184.0032.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 592execTwoBodyJastrowRef.h:266-271,OhmmsVector.h:229-229,stl_algobase.h:238-238miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool)Single0.010.010.021.001.0014.866.5010.009.09NANANANANANA13.0013.0013.000.882.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 1184execTinyVectorOps.h:49-49,ostream:667-667,OperatorTags.h:43-183,OhmmsVector.h:223-223,TinyVectorTensorOps.h:150-152,char_traits.h:409-409,ParticleIOUtility.h:70-91void qmcplusplus::expandSuperCell(qmcplusplus::ParticleSet&, qmcplusplus::Tensor const&)Innermost0.010.010.011.191.407.621.76415.5714.25NANANANANANA17.1914.5012.312.269.75NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 580execBsplineFunctor.h:305-336miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.010.010.011.041.522.321.60199.4348.78NANANANANANA81.5078.0053.7635.1551.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 613execstl_numeric.h:140-141miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.010.010.011.002.268.001.0010.0012.50NANANANANANA32.0032.0014.184.0032.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 611execOneBodyJastrowRef.h:196-197miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.010.010.011.001.488.001.0010.0012.50NANANANANANA32.0032.0021.684.0032.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 657execeinspline_spo_ref.hpp:183-187,stl_vector.h:1258-1258,stl_algo.h:731-757,stl_algobase.h:238-437miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)Single0.010.010.011.381.0014.254.0630.008.17NANANANANANA5.423.925.420.381.33NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 157execNewTimer.h:242-249,stl_vector.h:990-990,refwrap.h:347-347,WaveFunction.cpp:216-219qmcplusplus::WaveFunction::ratio(qmcplusplus::ParticleSet&, int)Single0.010.010.012.304.0013.912.5610.0010.94NANANANANANA5.752.501.440.412.25NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 1142execDistanceTableBA.h:52-52,VectorSoAContainer.h:167-172qmcplusplus::createDistanceTable(qmcplusplus::ParticleSet const&, qmcplusplus::ParticleSet&)Innermost000.012.001.005.332.00125.0015.63NANANANANANA16.008.0016.003.008.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 82execTinyVectorOps.h:85-85,OperatorTags.h:53-63,stl_vector.h:1126-1126,miniqmc.cpp:476-488,refwrap.h:347-347,TinyVector.h:146-146main._omp_fn.1InBetween000.012.321.8412.004.2746.0712.34NANANANANANA9.884.255.360.822.31NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 612execOneBodyJastrowRef.h:190-191miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost000.011.001.958.001.0010.0012.50NANANANANANA32.0032.0016.444.0032.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 571execTwoBodyJastrowRef.h:391-396miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)InBetween000.011.551.489.982.83160.0012.04NANANANANANA17.0011.0011.501.706.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 737execMultiBsplineRef.hpp:233-270void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Outermost000.012.241.006.9615.671612.9017.14NANANANANANA11.755.2511.751.690.75NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 658execMultiBsplineRef.hpp:66-74miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)InBetween000.011.571.111.381.666445.9046.82NANANANANANA35.7522.7532.2725.8421.50NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 204execOhmmsVector.h:229-229,OneBodyJastrowRef.h:218-222miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*) [clone .isra.0]Single000.011.001.0011.673.5020.0011.16NANANANANANA3.503.503.500.301.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 1150execDistanceTableBA.h:126-127,stl_vector.h:1126-1126,stl_algo.h:731-757,stl_algobase.h:398-437,VectorSoAContainer.h:241-241qmcplusplus::DistanceTableBA::update(int)Single000.013.571.008.004.1710.0012.50NANANANANANA6.251.756.250.781.50NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 740execOperatorTags.h:183-183,OhmmsVector.h:223-223,einspline_spo_ref.hpp:219-227,stl_vector.h:1126-1126,stl_algobase.h:238-238,TinyVector.h:146-146,VectorSoAContainer.h:241-241miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)Outermost000.011.901.0010.117.5888.3312.85NANANANANANA22.7512.0022.752.253.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 655execBsplineAllocator.hpp:171-180,stl_vector.h:1126-1126,OhmmsArray.h:156-156qmcplusplus::BsplineAllocator >::setCoefficientsForOrbitals(int, int, Array&, multi_UBspline_3d_d*) [clone ._omp_fn.0]Outermost000.012.182.0811.903.50480.0010.86NANANANANANA24.5011.2511.762.067.00NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
Loop 155execOperatorTags.h:94-94,NewTimer.h:242-249,stl_vector.h:990-990,refwrap.h:347-347,WaveFunction.cpp:191-194qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)Single000.012.332.009.334.00133.3315.97NANANANANANA7.003.003.500.751.75NANANANANANANANANANA16NANA64NANA32NANA32NANA15NANANA
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