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Expert Summary

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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 (%) 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)
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 (%)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)
Loop 860execMultiBsplineRef.hpp:242-262void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Innermost15.3914.367.661.001.001.001.001100.00100.0046.0046.0046.0046.0046.00NANANANANANANA
Loop 840execMultiBsplineRef.hpp:68-70void miniqmcreference::MultiBsplineEvalRef::evaluate_v(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, unsigned long)Innermost12.612.156.481.001.001.001.001100.00100.005.005.005.005.005.00NANANANANANANA
Loop 843execMultiBsplineRef.hpp:68-70void miniqmcreference::MultiBsplineEvalRef::evaluate_v(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, unsigned long)Innermost12.6612.146.481.001.001.001.001100.00100.005.005.005.005.005.00NANANANANANANA
Loop 842execMultiBsplineRef.hpp:68-70void miniqmcreference::MultiBsplineEvalRef::evaluate_v(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, unsigned long)Innermost12.4312.016.411.001.001.001.001100.00100.005.005.005.005.005.00NANANANANANANA
Loop 841execMultiBsplineRef.hpp:68-70void miniqmcreference::MultiBsplineEvalRef::evaluate_v(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, unsigned long)Innermost12.6811.996.41.001.001.001.001100.00100.005.005.005.005.005.00NANANANANANANA
Loop 2036execParticleBConds3DSoa.h:280-298,SoaDistanceTableABOMPTarget.h:228-228qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)Innermost8.27.94.221.001.001.001.00196.0096.5022.0022.0022.0022.0022.00NANANANANANANA
Loop 1791execVectorSoAContainer.h:244-244,VectorSoAContainer.h:263-263,TinyVector.h:182-182,OhmmsVector.h:223-223,SoaDistanceTableAAOMPTarget.h:440-442qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)Single4.73.872.071.371.004.893.67154.5515.913.672.673.670.751.00NANANANANANANA
Loop 326execBsplineFunctor.h:236-241miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Innermost32.681.431.171.008.001.1730.0012.501.561.331.560.191.33NANANANANANANA
Loop 1310execParticleBConds3DSoa.h:234-255void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer > >(qmcplusplus::TinyVector const&, qmcplusplus::VectorSoAContainer > const&, double*, qmcplusplus::VectorSoAContainer >&, int, int, int) constSingle1.311.110.591.001.001.001.001100.00100.0022.0022.0022.0022.0022.00NANANANANANANA
Loop 831execstl_algobase.h:235-235,einspline_spo_ref.hpp:223-227,VectorSoAContainer.h:231-231,VectorSoAContainer.h:271-271,stl_vector.h:1046-1046,TinyVector.h:144-145,OhmmsVector.h:223-223miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)Innermost1.010.810.432.001.004.765.8710.0011.937.333.677.331.541.25NANANANANANANA
Loop 1059execOperatorTags.h:63-63,OperatorTags.h:94-94,inner_product.hpp:155-155miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.80.610.331.001.001.002.001100.00100.0024.0024.0024.0024.0012.00NANANANANANANA
Loop 833execinner_product.hpp:82-83qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)Innermost0.690.550.291.001.001.001.331100.00100.005.335.335.335.334.00NANANANANANANA
Loop 1045execOperatorTags.h:63-63,OperatorTags.h:94-94,inner_product.hpp:155-155miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)Single0.60.480.261.001.001.002.001100.00100.0024.0024.0024.0024.0012.00NANANANANANANA
Loop 265execBsplineFunctor.h:291-298qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constSingle0.560.450.241.031.008.971.0330.0012.152.062.002.060.232.00NANANANANANANA
Loop 1058execinner_product.hpp:82-83miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.510.380.21.001.001.001.331100.00100.005.335.335.335.334.00NANANANANANANA
Loop 1023execinner_product.hpp:211-212qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)Innermost0.580.280.151.001.008.001.0010.0012.501.001.001.000.131.00NANANANANANANA
Loop 855execMultiBsplineRef.hpp:276-286void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Single0.480.260.141.001.001.001.001100.00100.009.009.009.009.009.00NANANANANANANA
Loop 311execTwoBodyJastrowRef.h:342-347miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.310.230.121.001.001.001.831100.00100.0014.6714.6714.6714.678.00NANANANANANANA
Loop 309execTwoBodyJastrowRef.h:342-347miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.330.230.121.001.001.001.831100.00100.0014.6714.6714.6714.678.00NANANANANANANA
Loop 313execTwoBodyJastrowRef.h:342-347miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.310.220.121.001.001.001.831100.00100.0014.6714.6714.6714.678.00NANANANANANANA
Loop 316execTwoBodyJastrowRef.h:324-331miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.30.20.111.001.001.001.201100.00100.0024.0024.0024.0024.0020.00NANANANANANANA
Loop 63execstl_vector.h:919-919,stl_vector.h:1046-1046,OhmmsVector.h:229-229,unique_ptr.h:173-173,NonLocalPP.hpp:126-126,NonLocalPP.hpp:129-135qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)InBetween0.240.180.093.001.004.463.2530.0011.364.331.444.330.971.33NANANANANANANA
Loop 232execBsplineFunctor.h:236-241miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Innermost0.20.120.071.171.008.001.1730.0012.501.561.331.560.191.33NANANANANANANA
Loop 1038execOperatorTags.h:63-63,OperatorTags.h:94-94,inner_product.hpp:155-155miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.140.080.041.001.001.002.001100.00100.0024.0024.0024.0024.0012.00NANANANANANANA
Loop 294execTwoBodyJastrowRef.h:155-156miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.10.070.041.001.001.001.331100.00100.005.335.335.335.334.00NANANANANANANA
Loop 293execTwoBodyJastrowRef.h:155-156miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.110.060.031.001.001.001.331100.00100.005.335.335.335.334.00NANANANANANANA
Loop 295execTwoBodyJastrowRef.h:155-156miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.110.060.031.001.001.001.331100.00100.005.335.335.335.334.00NANANANANANANA
Loop 323execTwoBodyJastrowRef.h:127-127,TwoBodyJastrowRef.h:132-132,BsplineFunctor.h:236-236,BsplineFunctor.h:241-241,BsplineFunctor.h:246-246,BsplineFunctor.h:258-258,ParticleSet.h:313-313,ParticleSet.h:316-316miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)InBetween0.140.060.031.331.073.398.671341.5817.7621.6716.3320.336.402.50NANANANANANANA
Loop 322execTwoBodyJastrowRef.h:107-108,TwoBodyJastrowRef.h:126-127,refwrap.h:338-338,optional:433-433,optional:950-950,ParticleSet.h:313-313,stl_vector.h:919-919,stl_vector.h:1046-1046,OhmmsVector.h:229-229miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Outermost0.120.050.034.251.705.397.561413.6413.4211.332.676.672.101.50NANANANANANANA
Loop 324execBsplineFunctor.h:246-260,stl_vector.h:1064-1064miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Innermost0.090.050.031.000.851.441.48155.7028.1028.1728.1733.0019.5019.00NANANANANANANA
Loop 832execSPOSet.h:83-86,stl_vector.h:1046-1046,inner_product.hpp:82-82,OhmmsVector.h:178-178qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)Outermost0.090.050.021.891.051.321.89846.3424.2411.336.0010.798.566.00NANANANANANANA
Loop 1049execOperatorTags.h:63-63,OperatorTags.h:94-94,inner_product.hpp:155-155miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.070.040.021.001.001.002.001100.00100.0024.0024.0024.0024.0012.00NANANANANANANA
Loop 1048execinner_product.hpp:82-83miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.080.040.021.001.001.001.331100.00100.005.335.335.335.334.00NANANANANANANA
Loop 262execBsplineFunctor.h:302-336,stl_vector.h:1064-1064qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constSingle0.070.040.021.011.001.271.42161.4553.3159.5058.7559.5047.0042.00NANANANANANANA
Loop 1039execinner_product.hpp:82-83miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.070.030.021.001.001.001.331100.00100.005.335.335.335.334.00NANANANANANANA
Loop 227execstl_vector.h:919-919,stl_vector.h:1046-1046,stl_vector.h:1064-1064,OhmmsVector.h:223-223,OhmmsVector.h:249-249,OneBodyJastrowRef.h:134-135,OneBodyJastrowRef.h:141-141,OneBodyJastrowRef.h:151-151miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Outermost0.070.030.024.001.585.335.781814.2913.398.672.175.501.631.50NANANANANANANA
Loop 343execTwoBodyJastrowRef.h:381-382miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.050.020.011.001.001.001.331100.00100.005.335.335.335.334.00NANANANANANANA
Loop 2034execOMPTargetMath.hpp:38-38,ParticleBConds3DSoa.h:298-298,SoaDistanceTableABOMPTarget.h:215-218,SoaDistanceTableABOMPTarget.h:228-228qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)InBetween0.060.020.014.771.008.234.77110.0010.8523.835.0023.832.905.00NANANANANANANA
Loop 345execTwoBodyJastrowRef.h:381-382miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.050.020.011.001.001.001.331100.00100.005.335.335.335.334.00NANANANANANANA
Loop 241execstl_algobase.h:911-912qmcplusplus::Vector, std::allocator > >::resize(unsigned long, qmcplusplus::TinyVector)Single0.060.020.011.331.003.561.33150.0018.751.331.001.330.381.00NANANANANANANA
Loop 344execTwoBodyJastrowRef.h:381-382miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.060.020.011.001.001.001.331100.00100.005.335.335.335.334.00NANANANANANANA
Loop 64execOperatorTags.h:43-43,OperatorTags.h:63-63,VectorSoAContainer.h:231-231,stl_vector.h:919-919,stl_vector.h:1046-1046,TinyVector.h:144-145,OhmmsVector.h:223-223,OhmmsVector.h:229-229,NonLocalPP.hpp:131-132qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)Innermost0.060.020.011.201.503.692.40130.0016.256.005.004.001.632.50NANANANANANANA
Loop 303execstl_numeric.h:141-141miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.050.020.011.001.001.001.001100.00100.004.004.004.004.004.00NANANANANANANA
Loop 1143execParticleSet.cpp:242-243,stl_vector.h:919-919,unique_ptr.h:173-173qmcplusplus::ParticleSet::update(bool)Single0.050.020.011.001.004.332.1710.0012.502.172.172.170.501.00NANANANANANANA
Loop 237execstl_algobase.h:924-924qmcplusplus::Vector >::resize(unsigned long, double)Single0.050.020.011.001.001.004.001100.00100.004.004.004.004.001.00NANANANANANANA
Loop 829execstl_algobase.h:235-235,stl_algobase.h:429-431,einspline_spo_ref.hpp:183-187,stl_algo.h:725-725,stl_algo.h:751-751,stl_vector.h:1046-1046,stl_vector.h:1169-1169miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)Single0.040.010.011.001.0011.002.1420.009.243.213.213.210.291.50NANANANANANANA
Loop 112execWaveFunction.cpp:269-269,WaveFunction.cpp:272-273,refwrap.h:338-338,stl_vector.h:919-919,stl_vector.h:1046-1046,NewTimer.h:242-242,NewTimer.h:249-249qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Outermost0.070.010.011.001.009.122.38116.2512.119.509.509.501.044.00NANANANANANANA
Loop 839execeinspline_spo_ref.hpp:175-176,stl_vector.h:1046-1046,stl_vector.h:1169-1169miniqmcreference::einspline_spo_ref::evaluate_v(qmcplusplus::ParticleSet const&, int)Single0.040.010.011.671.003.203.33150.0018.753.332.003.331.041.00NANANANANANANA
Loop 32execrefwrap.h:338-338,miniqmc.cpp:429-458,stl_vector.h:1046-1046,TinyVector.h:62-62.omp_outlined..64Innermost0.030.010.012.281.005.242.8128.3912.1212.175.3312.172.324.33NANANANANANANA
Loop 193execOneBodyJastrowRef.h:192-193miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.030.010NANANANANANANANANANANANANANANANANANANA
Loop 2033execSoaDistanceTableABOMPTarget.h:214-215qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)Outermost0.030.010NANANANANANANANANANANANANANANANANANANA
Loop 340execTwoBodyJastrowRef.h:388-391miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.030.010NANANANANANANANANANANANANANANANANANANA
Loop 195execOneBodyJastrowRef.h:192-193miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.030.010NANANANANANANANANANANANANANANANANANANA
Loop 844execMultiBsplineRef.hpp:63-63,MultiBsplineRef.hpp:66-68void miniqmcreference::MultiBsplineEvalRef::evaluate_v(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, unsigned long)Outermost0.030.010NANANANANANANANANANANANANANANANANANANA
Loop 62execParticleSet.h:277-277,stl_vector.h:1064-1064,NonLocalPP.hpp:122-122,NonLocalPP.hpp:126-126qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)Outermost0.020.010NANANANANANANANANANANANANANANANANANANA
Loop 194execOneBodyJastrowRef.h:192-193miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.020.010NANANANANANANANANANANANANANANANANANANA
Loop 271execOneBodyJastrowRef.h:192-193miniqmcreference::OneBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.020.010NANANANANANANANANANANANANANANANANANANA
Loop 272execOneBodyJastrowRef.h:192-193miniqmcreference::OneBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.020.010NANANANANANANANANANANANANANANANANANANA
Loop 229execshared_ptr_base.h:1296-1296,BsplineFunctor.h:233-233,BsplineFunctor.h:236-236,BsplineFunctor.h:246-246,BsplineFunctor.h:258-258,ParticleSet.h:313-313,OhmmsVector.h:223-223,OneBodyJastrowRef.h:143-146miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)InBetween0.020.010NANANANANANANANANANANANANANANANANANANA
Loop 334execTwoBodyJastrowRef.h:397-398miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.020.010NANANANANANANANANANANANANANANANANANANA
Loop 325execBsplineFunctor.h:246-260miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Innermost0.020.010NANANANANANANANANANANANANANANANANANANA
Loop 336execTwoBodyJastrowRef.h:397-398miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.020.010NANANANANANANANANANANANANANANANANANANA
Loop 338execTwoBodyJastrowRef.h:397-398miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.0200NANANANANANANANANANANANANANANANANANANA
Loop 937execstl_algobase.h:924-924qmcplusplus::Vector > >::resize(unsigned long, double)Single0.0200NANANANANANANANANANANANANANANANANANANA
Loop 261execshared_ptr_base.h:1296-1296,ParticleSet.h:313-316,stl_vector.h:1046-1046,stl_vector.h:1169-1169,OhmmsVector.h:223-223,OneBodyJastrowRef.h:214-219miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)Single0.0200NANANANANANANANANANANANANANANANANANANA
Loop 858execMultiBsplineRef.hpp:226-227,MultiBsplineRef.hpp:242-242void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)InBetween0.0200NANANANANANANANANANANANANANANANANANANA
Loop 107execWaveFunction.cpp:185-188,refwrap.h:338-338,OperatorTags.h:94-94,stl_vector.h:919-919,stl_vector.h:1046-1046,NewTimer.h:242-242,NewTimer.h:249-249qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)Single0.0100NANANANANANANANANANANANANANANANANANANA
Loop 231execBsplineFunctor.h:246-260miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Innermost0.0200NANANANANANANANANANANANANANANANANANANA
Loop 342execTwoBodyJastrowRef.h:375-376miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.0300NANANANANANANANANANANANANANANANANANANA
Loop 115execWaveFunction.cpp:273-274qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Innermost0.0200NANANANANANANANANANANANANANANANANANANA
Loop 273execOneBodyJastrowRef.h:192-193miniqmcreference::OneBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.0100NANANANANANANANANANANANANANANANANANANA
Loop 263execBsplineFunctor.h:302-336qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constSingle0.0100NANANANANANANANANANANANANANANANANANANA
Loop 2039execSoaDistanceTableABOMPTarget.h:194-196qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)Single0.0100NANANANANANANANANANANANANANANANANANANA
Loop 305execTwoBodyJastrowRef.h:269-274,shared_ptr_base.h:1296-1296,ParticleSet.h:313-316,OhmmsVector.h:223-223miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.0100NANANANANANANANANANANANANANANANANANANA
Loop 108execWaveFunction.cpp:198-201,refwrap.h:338-338,stl_vector.h:919-919,stl_vector.h:1046-1046,NewTimer.h:242-242,NewTimer.h:249-249qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.0100NANANANANANANANANANANANANANANANANANANA
Loop 837execSPOSet.h:106-111,OhmmsMatrix.h:217-217,new_allocator.h:145-145,OhmmsVector.h:56-56,OhmmsVector.h:144-144,OhmmsVector.h:210-212,OhmmsVector.h:287-287qmcplusplus::SPOSet::evaluate_notranspose(qmcplusplus::ParticleSet const&, int, int, qmcplusplus::Matrix >&, qmcplusplus::Matrix, std::allocator > >&, qmcplusplus::Matrix >&)Single0.0200NANANANANANANANANANANANANANANANANANANA
Loop 853execeinspline_spo_ref.hpp:206-208,VectorSoAContainer.h:265-265,stl_vector.h:1046-1046,stl_vector.h:1169-1169miniqmcreference::einspline_spo_ref::evaluate_vgh(qmcplusplus::ParticleSet const&, int)Single0.0200NANANANANANANANANANANANANANANANANANANA
Loop 264execBsplineFunctor.h:302-336,stl_vector.h:1064-1064qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constSingle0.0100NANANANANANANANANANANANANANANANANANANA
Loop 1060execOperatorTags.h:94-94,inner_product.hpp:82-82,inner_product.hpp:155-155,TinyVectorOps.h:131-131,OhmmsVector.h:223-223,DiracDeterminantRef.cpp:173-173,DiracDeterminantRef.cpp:178-178miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Outermost0.0100NANANANANANANANANANANANANANANANANANANA
Loop 329execTwoBodyJastrowRef.h:268-269,TwoBodyJastrowRef.h:364-364,TwoBodyJastrowRef.h:367-367,TwoBodyJastrowRef.h:375-375,TwoBodyJastrowRef.h:381-381,TwoBodyJastrowRef.h:386-388,TwoBodyJastrowRef.h:397-397,stl_algobase.h:923-924,stl_algobase.h:1115-1115,stl_iterator.h:1028-1028,stl_numeric.h:140-140,VectorSoAContainer.h:244-244,VectorSoAContainer.h:263-263,VectorSoAContainer.h:271-273,stl_vector.h:1064-1064,stl_vector.h:1169-1169,OhmmsVector.h:223-223,OhmmsVector.h:229-229,OhmmsVector.h:249-249miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)InBetween0.0100NANANANANANANANANANANANANANANANANANANA
Loop 192execOneBodyJastrowRef.h:186-187miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.0100NANANANANANANANANANANANANANANANANANANA
Loop 355execstl_numeric.h:141-141miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.0100NANANANANANANANANANANANANANANANANANANA
Loop 319execTwoBodyJastrowRef.h:269-274,shared_ptr_base.h:1296-1296,ParticleSet.h:313-316,OhmmsVector.h:223-223miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.0100NANANANANANANANANANANANANANANANANANANA
Loop 80execRandomGenerator.h:51-55,random.h:1870-1870,random.tcc:3369-3370,random.tcc:3373-3373void BoxMuller2::generate > >(StdRandom >&, double*, int)Outermost0.0100NANANANANANANANANANANANANANANANANANANA
Loop 110execWaveFunction.cpp:225-228,refwrap.h:338-338,stl_vector.h:919-919,stl_vector.h:1046-1046,NewTimer.h:242-242,NewTimer.h:249-249qmcplusplus::WaveFunction::acceptMove(qmcplusplus::ParticleSet&, int)Single0.0100NANANANANANANANANANANANANANANANANANANA
Loop 1526execstl_tree.h:780-780,stl_tree.h:788-788,stl_tree.h:1904-1905,NewTimer.h:119-121qmcplusplus::TimerType::stop()Single0.0900NANANANANANANANANANANANANANANANANANANA
Loop 1149execParticleSet.cpp:343-344,stl_vector.h:919-919,unique_ptr.h:173-173qmcplusplus::ParticleSet::computeNewPosDistTables(int, qmcplusplus::TinyVector const&, bool)Single0.0100NANANANANANANANANANANANANANANANANANANA
Loop 857execstl_algobase.h:924-924,MultiBsplineRef.hpp:226-226void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Outermost0.0100NANANANANANANANANANANANANANANANANANANA
Loop 1037execDelayedUpdate.h:186-187,OhmmsMatrix.h:236-236,OhmmsVector.h:223-223qmcplusplus::DelayedUpdate::updateInvMat(qmcplusplus::Matrix >&)Single0.0100NANANANANANANANANANANANANANANANANANANA
Loop 84execrandom.tcc:401-406,random.tcc:413-413,random.tcc:417-420,random.tcc:455-455,random.tcc:459-463,random.tcc:3364-3367void BoxMuller2::generate > >(StdRandom >&, double*, int)InBetween0.0100NANANANANANANANANANANANANANANANANANANA
Loop 819execBsplineAllocator.hpp:179-180.omp_outlined..11Innermost0.0100NANANANANANANANANANANANANANANANANANANA
Loop 1308execParticleBConds3DSoa.h:234-255void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer > >(qmcplusplus::TinyVector const&, qmcplusplus::VectorSoAContainer > const&, double*, qmcplusplus::VectorSoAContainer >&, int, int, int) constSingle0.0100NANANANANANANANANANANANANANANANANANANA
Loop 1154execParticleSet.cpp:389-390,stl_vector.h:919-919,unique_ptr.h:173-173qmcplusplus::ParticleSet::acceptMove(int)Single0.0100NANANANANANANANANANANANANANANANANANANA
Loop 269execstl_numeric.h:140-140,VectorSoAContainer.h:273-273,stl_vector.h:1064-1064,OhmmsVector.h:223-223,OhmmsVector.h:249-249,OneBodyJastrowRef.h:109-113,OneBodyJastrowRef.h:186-186,OneBodyJastrowRef.h:192-194miniqmcreference::OneBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Outermost0.0100NANANANANANANANANANANANANANANANANANANA
Loop 1036execDelayedUpdate.h:137-138void qmcplusplus::DelayedUpdate::acceptRow > >(qmcplusplus::Matrix >&, int, qmcplusplus::Vector > const&)Single0.0100NANANANANANANANANANANANANANANANANANANA
Loop 1509execVirtualParticleSet.cpp:119-120,OperatorTags.h:43-43,stl_vector.h:1064-1064,OhmmsVector.h:178-178,OhmmsVector.h:223-223,OhmmsVector.h:229-229qmcplusplus::VirtualParticleSet::makeMoves(qmcplusplus::ParticleSet const&, int, std::vector, std::allocator > > const&, bool, int)Single0.0100NANANANANANANANANANANANANANANANANANANA
Loop 321execTwoBodyJastrowRef.h:423-427,OperatorTags.h:94-94miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single000NANANANANANANANANANANANANANANANANANANA
Loop 1525execstl_tree.h:780-780,stl_tree.h:788-788,stl_tree.h:1904-1905,NewTimer.h:119-121qmcplusplus::TimerType::stop()Single0.0400NANANANANANANANANANANANANANANANANANANA
Loop 1527execNewTimer.cpp:99-100qmcplusplus::TimerType::stop()Single0.0100NANANANANANANANANANANANANANANANANANANA
Loop 2040execSoaDistanceTableABOMPTarget.h:194-196qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)Single000NANANANANANANANANANANANANANANANANANANA
Loop 1040execOperatorTags.h:94-94,OhmmsMatrix.h:217-217,inner_product.hpp:82-82,inner_product.hpp:155-155,TinyVectorOps.h:131-131,OhmmsVector.h:223-223,DiracDeterminantRef.cpp:247-247,DiracDeterminantRef.cpp:252-252miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Outermost000NANANANANANANANANANANANANANANANANANANA
Loop 190execstl_numeric.h:141-141miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single000NANANANANANANANANANANANANANANANANANANA
Loop 830execeinspline_spo_ref.hpp:219-219,einspline_spo_ref.hpp:222-223miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)Outermost000NANANANANANANANANANANANANANANANANANANA
Loop 1782execstl_vector.h:1046-1046,OhmmsVector.h:223-223,OhmmsVector.h:248-248,SoaDistanceTableAAOMPTarget.h:184-185,unique_ptr.h:173-173qmcplusplus::SoaDistanceTableAAOMPTarget::evaluate(qmcplusplus::ParticleSet&)Single0.0100NANANANANANANANANANANANANANANANANANANA
Loop 1309execParticleBConds3DSoa.h:234-255void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer > >(qmcplusplus::TinyVector const&, qmcplusplus::VectorSoAContainer > const&, double*, qmcplusplus::VectorSoAContainer >&, int, int, int) constSingle000NANANANANANANANANANANANANANANANANANANA
Loop 863execrandom.tcc:401-406,random.tcc:413-413,random.tcc:417-420,random.tcc:455-455,random.tcc:459-463,random.tcc:3364-3367StdRandom >::generate_uniform(double*, int)InBetween000NANANANANANANANANANANANANANANANANANANA
Loop 1524execNewTimer.cpp:53-54qmcplusplus::TimerType::start()Single000NANANANANANANANANANANANANANANANANANANA
Loop 1035execDelayedUpdate.h:137-138void qmcplusplus::DelayedUpdate::acceptRow > >(qmcplusplus::Matrix >&, int, qmcplusplus::Vector > const&)Single0.0100NANANANANANANANANANANANANANANANANANANA
Loop 283execstl_numeric.h:141-141miniqmcreference::OneBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost000NANANANANANANANANANANANANANANANANANANA
Loop 270execOneBodyJastrowRef.h:186-187miniqmcreference::OneBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost000NANANANANANANANANANANANANANANANANANANA
Loop 862execrandom.h:1870-1870,StdRandom.h:102-103,random.tcc:455-455,random.tcc:3369-3370,random.tcc:3373-3373StdRandom >::generate_uniform(double*, int)Outermost000NANANANANANANANANANANANANANANANANANANA
Loop 34execrandom.tcc:401-406,random.tcc:413-413,random.tcc:417-420,random.tcc:455-455,random.tcc:459-463,random.tcc:3364-3367.omp_outlined..64InBetween000NANANANANANANANANANANANANANANANANANANA
Loop 113execWaveFunction.cpp:273-274qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Innermost0.0100NANANANANANANANANANANANANANANANANANANA
Loop 357execTwoBodyJastrowRef.h:269-274,shared_ptr_base.h:1296-1296,ParticleSet.h:313-316,OhmmsVector.h:223-223miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost000NANANANANANANANANANANANANANANANANANANA
Loop 38execstl_algobase.h:911-912.omp_outlined..64Innermost000NANANANANANANANANANANANANANANANANANANA
Loop 1213execPosTransformer.h:41-45qmcplusplus::RealSpacePositionsOMPTarget::setAllParticlePos(qmcplusplus::ParticleAttrib, std::allocator > > const&)Single000NANANANANANANANANANANANANANANANANANANA
Loop 225execOperatorTags.h:94-94,OneBodyJastrowRef.h:169-169miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single000NANANANANANANANANANANANANANANANANANANA
Loop 81execrandom.tcc:401-406,random.tcc:413-413,random.tcc:417-420,random.tcc:455-455,random.tcc:459-463,random.tcc:3364-3367void BoxMuller2::generate > >(StdRandom >&, double*, int)InBetween000NANANANANANANANANANANANANANANANANANANA
Loop 33execrandom.h:1870-1870,StdRandom.h:102-103,random.tcc:455-455,random.tcc:3369-3370,random.tcc:3373-3373.omp_outlined..64InBetween000NANANANANANANANANANANANANANANANANANANA
Loop 351execTwoBodyJastrowRef.h:381-382miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.0100NANANANANANANANANANANANANANANANANANANA
Loop 86execrandom.tcc:411-414void BoxMuller2::generate > >(StdRandom >&, double*, int)Innermost000NANANANANANANANANANANANANANANANANANANA
Loop 221execstl_numeric.h:141-141miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single000NANANANANANANANANANANANANANANANANANANA
Loop 1033execDelayedUpdate.h:147-148void qmcplusplus::DelayedUpdate::acceptRow > >(qmcplusplus::Matrix >&, int, qmcplusplus::Vector > const&)Single000NANANANANANANANANANANANANANANANANANANA
Loop 1209execPosTransformer.h:41-45qmcplusplus::RealSpacePositions::setAllParticlePos(qmcplusplus::ParticleAttrib, std::allocator > > const&)Single000NANANANANANANANANANANANANANANANANANANA
Loop 349execTwoBodyJastrowRef.h:381-382miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost000NANANANANANANANANANANANANANANANANANANA
Loop 335execTwoBodyJastrowRef.h:397-398miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost000NANANANANANANANANANANANANANANANANANANA
Loop 348execTwoBodyJastrowRef.h:381-382miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost000NANANANANANANANANANANANANANANANANANANA
Loop 1287execstl_uninitialized.h:578-578,VectorSoAContainer.h:41-41std::vector >, std::allocator > > >::_M_default_append(unsigned long)Single000NANANANANANANANANANANANANANANANANANANA
Loop 1020execDiracMatrix.h:112-113qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)Single000NANANANANANANANANANANANANANANANANANANA
Loop 1779execMallocator.hpp:78-78,VectorSoAContainer.h:151-153,VectorSoAContainer.h:167-167,VectorSoAContainer.h:174-176,stl_vector.h:1046-1046,stl_vector.h:1169-1169,OhmmsVector.h:149-149,OhmmsVector.h:156-158,OhmmsVector.h:212-215,SoaDistanceTableAAOMPTarget.h:96-96,SoaDistanceTableAAOMPTarget.h:106-109,aligned_allocator.hpp:46-46qmcplusplus::SoaDistanceTableAAOMPTarget::resize()Single000NANANANANANANANANANANANANANANANANANANA
Loop 346execTwoBodyJastrowRef.h:381-382miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost000NANANANANANANANANANANANANANANANANANANA
Loop 339execTwoBodyJastrowRef.h:397-398miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost000NANANANANANANANANANANANANANANANANANANA
Loop 332execTwoBodyJastrowRef.h:397-398miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost000NANANANANANANANANANANANANANANANANANANA
Loop 353execTwoBodyJastrowRef.h:375-376miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost000NANANANANANANANANANANANANANANANANANANA
Loop 350execTwoBodyJastrowRef.h:381-382miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost000NANANANANANANANANANANANANANANANANANANA
Loop 865execrandom.tcc:411-414StdRandom >::generate_uniform(double*, int)Innermost000NANANANANANANANANANANANANANANANANANANA
Loop 1282execstl_uninitialized.h:578-578,OhmmsVector.h:47-47,OhmmsVector.h:287-287std::vector >, std::allocator > > >::_M_default_append(unsigned long)Single000NANANANANANANANANANANANANANANANANANANA
Loop 1165execFastParticleOperators.h:70-75qmcplusplus::ParticleSet::convert2Cart(qmcplusplus::ParticleAttrib, std::allocator > >&)Single000NANANANANANANANANANANANANANANANANANANA
Loop 356execstl_numeric.h:141-141miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost000NANANANANANANANANANANANANANANANANANANA
Loop 337execTwoBodyJastrowRef.h:397-398miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost000NANANANANANANANANANANANANANANANANANANA
Loop 36execrandom.tcc:411-414.omp_outlined..64Innermost000NANANANANANANANANANANANANANANANANANANA
Loop 330execTwoBodyJastrowRef.h:388-391miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost000NANANANANANANANANANANANANANANANANANANA
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