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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 (%) Flops (GFLOP/s) CQA cycles CQA cycles if no scalar integer CQA cycles if FP arith vectorized CQA cycles if fully vectorized CQA cycles if FP only
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 (%)Flops (GFLOP/s)CQA cyclesCQA cycles if no scalar integerCQA cycles if FP arith vectorizedCQA cycles if fully vectorizedCQA cycles if FP only
Loop 820execMultiBsplineRef.hpp:68-71miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)Innermost21.382323.171.001.952.001.001100.0050.00266.4212.0012.006.176.0012.00
Loop 886execMultiBsplineRef.hpp:242-262void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Innermost34.2421.3421.51.002.508.001.0010.0012.50240.3412.5012.505.001.5612.50
Loop 2733execParticleBConds3DSoa.h:280-298,SoaDistanceTableABOMPTarget.h:228-228qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)Innermost10.1610.6210.71.003.336.671.00112.2414.03232.8315.0015.004.502.2515.00
Loop 2289execVectorSoAContainer.h:244-244,VectorSoAContainer.h:263-263,TinyVector.h:182-182,SoaDistanceTableAAOMPTarget.h:440-442qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)Single4.54.784.811.581.008.006.33127.2715.910.006.334.006.330.791.00
Loop 342execBsplineFunctor.h:236-241miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Innermost1.581.551.561.001.0012.121.4765610.0010.000.3012.5012.5012.501.038.50
Loop 885execMultiBsplineRef.hpp:276-286void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Single2.011.141.151.001.048.001.0410.0012.5033.549.339.339.001.179.00
Loop 890execeinspline_spo_ref.hpp:223-227,TinyVector.h:145-145miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)Innermost0.960.910.911.001.006.408.00111.1113.890.008.008.008.001.251.00
Loop 2408execParticleBConds3DSoa.h:237-255qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)Single0.880.770.771.001.671.671.001100.0050.001234.8015.0015.009.009.0015.00
Loop 2407execParticleBConds3DSoa.h:237-255qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)Single0.840.750.751.001.671.671.001100.0050.001266.2915.0015.009.009.0015.00
Loop 570execTwoBodyJastrowRef.h:342-347miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Innermost0.620.560.561.001.232.001.001100.0050.00337.6916.0016.0013.038.0016.00
Loop 565execBsplineFunctor.h:291-298miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool)Innermost0.60.520.531.191.0012.631.7565610.009.380.0714.8312.5014.831.178.50
Loop 573execTwoBodyJastrowRef.h:155-156miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Innermost0.440.370.371.001.382.001.001100.0050.00342.2024.0024.0017.3312.0024.00
Loop 571execstl_vector.h:1121-1121,TwoBodyJastrowRef.h:324-331miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.380.350.351.001.318.001.0010.0012.5090.5914.0014.0010.671.7514.00
Loop 981execOperatorTags.h:63-63,OperatorTags.h:94-94,inner_product.hpp:155-155miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.380.320.321.001.002.001.50 - 1.411100.0050.00197.3624.0024.0024.0012.0016.00 - 17.00
Loop 977execOperatorTags.h:63-63,OperatorTags.h:94-94,inner_product.hpp:155-155miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)Single0.390.310.321.001.002.001.50 - 1.411100.0050.00204.8124.0024.0024.0012.0016.00 - 17.00
Loop 976execinner_product.hpp:82-83miniqmcreference::DiracDeterminantRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Innermost0.330.240.251.001.382.001.001100.0050.00347.8724.0024.0017.3312.0024.00
Loop 996execinner_product.hpp:211-212miniqmcreference::DiracDeterminantRef >::invertPsiM(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&)Innermost0.220.230.241.001.006.511.00133.3316.670.008.008.008.001.238.00
Loop 982execinner_product.hpp:82-83miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.220.180.181.001.382.001.001100.0050.00117.4924.0024.0017.3312.0024.00
Loop 971execOperatorTags.h:63-63,OperatorTags.h:94-94,inner_product.hpp:155-155miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.160.120.121.001.002.001.501100.0050.00529.6224.0024.0024.0012.0016.00
Loop 2359execParticleBConds3DSoa.h:237-255qmcplusplus::SoaDistanceTableAAOMPTarget::evaluate(qmcplusplus::ParticleSet&)Innermost0.160.10.111.001.671.671.001100.0050.00588.3615.0015.009.009.0015.00
Loop 343execBsplineFunctor.h:246-260miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Innermost0.130.10.11.091.432.151.291100.0048.46577.7033.5030.6723.4215.5826.00
Loop 2539execParticleBConds3DSoa.h:237-255qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)Single0.110.080.081.001.671.671.001100.0050.00984.3515.0015.009.009.0015.00
Loop 567execstl_vector.h:1140-1140,BsplineFunctor.h:305-336miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool)Innermost0.120.080.081.121.592.201.35199.4348.78643.5767.5060.5042.5030.7550.00
Loop 2540execParticleBConds3DSoa.h:237-255qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)Single0.160.080.081.001.671.671.001100.0050.00977.7815.0015.009.009.0015.00
Loop 574execstl_numeric.h:140-141miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.120.080.081.001.472.001.001100.0050.00264.1024.0024.0016.3612.0024.00
Loop 972execinner_product.hpp:82-83miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.110.070.071.001.382.001.001100.0050.00295.4124.0024.0017.3312.0024.00
Loop 587execTwoBodyJastrowRef.h:381-382miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.110.070.071.001.382.001.001100.0050.00178.5724.0024.0017.3312.0024.00
Loop 76execVectorSoAContainer.h:231-231,ParticleSet.h:277-277,OperatorTags.h:43-43,OperatorTags.h:63-63,stl_vector.h:988-988,stl_vector.h:1121-1121,unique_ptr.h:199-199,OhmmsVector.h:229-229,TinyVector.h:145-145,NonLocalPP.hpp:126-126,NonLocalPP.hpp:129-135main._omp_fn.1InBetween0.110.070.071.781.859.842.971022.5015.160.7117.8310.009.631.816.00
Loop 1000execOperatorTags.h:63-63,OperatorTags.h:94-94,inner_product.hpp:155-155miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.070.060.061.001.002.001.501100.0050.00212.3124.0024.0024.0012.0016.00
Loop 564execstl_algobase.h:238-238,ParticleSet.h:313-313,stl_vector.h:1143-1143,BsplineFunctor.h:276-276,BsplineFunctor.h:283-284,BsplineFunctor.h:291-298,BsplineFunctor.h:305-311,BsplineFunctor.h:315-318,BsplineFunctor.h:321-336,TwoBodyJastrowRef.h:269-271miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool)Outermost0.090.050.061.211.536.142.11100001245.0019.60107.93106.5087.8369.8117.3550.50
Loop 590execBsplineFunctor.h:291-298miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.060.040.041.191.0012.631.7565610.009.380.2614.8312.5014.831.178.50
Loop 261execBsplineFunctor.h:236-241miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Innermost0.060.040.041.001.0012.121.4765610.0010.000.5412.5012.5012.501.038.50
Loop 341execParticleSet.h:313-313,ParticleSet.h:316-316,stl_vector.h:1140-1140,stl_vector.h:1143-1143,BsplineFunctor.h:232-232,BsplineFunctor.h:236-241,BsplineFunctor.h:244-252,BsplineFunctor.h:256-260,OhmmsVector.h:221-221,TwoBodyJastrowRef.h:127-129,TwoBodyJastrowRef.h:132-132miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)InBetween0.060.030.031.072.056.181.18100001227.8816.13246.3779.1774.3338.6612.8167.00
Loop 1010execstl_algobase.h:918-919miniqmcreference::DiracDeterminantRef >::resize(int, int)Innermost0.040.020.031.001.002.0012.001100.0050.000.0012.0012.0012.006.001.00
Loop 585execTwoBodyJastrowRef.h:397-398miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.040.020.021.001.022.002.081100.0050.00627.348.338.338.174.174.00
Loop 694execOneBodyJastrowRef.h:192-193miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Innermost0.040.020.021.001.382.001.001100.0050.00502.9724.0024.0017.3312.0024.00
Loop 817execstl_algobase.h:930-931,einspline_spo_ref.hpp:175-176,stl_vector.h:1256-1256,MultiBsplineRef.hpp:42-44,MultiBsplineRef.hpp:47-49,MultiBsplineRef.hpp:56-58,MultiBsplineRef.hpp:67-68,MultiBsplineData.hpp:54-57,MultiBsplineEvalHelper.hpp:53-53,MultiBsplineEvalHelper.hpp:60-63miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)Outermost0.050.020.021.251.938.791.5886410.7914.5227.2033.1726.5017.203.7721.00
Loop 999execinner_product.hpp:82-83miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.040.020.021.001.382.001.001100.0050.00204.2124.0024.0017.3312.0024.00
Loop 887execMultiBsplineRef.hpp:227-229,MultiBsplineRef.hpp:234-239,MultiBsplineRef.hpp:242-242void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)InBetween0.040.020.021.222.168.001.2210.0012.5077.453.673.001.700.463.00
Loop 586execTwoBodyJastrowRef.h:388-391miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.040.020.021.001.022.001.171100.0050.00417.197.007.006.833.506.00
Loop 706execOneBodyJastrowRef.h:192-193miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.020.010.011.001.382.001.001100.0050.00198.0124.0024.0017.3312.0024.00
Loop 107execstl_vector.h:1124-1124,TinyVector.h:62-62,refwrap.h:347-347,miniqmc.cpp:429-458main._omp_fn.1Innermost0.030.010.017.111.0014.3710.67230.9514.963.6010.671.5010.670.741.00
Loop 340execoptional:993-993,stl_vector.h:988-988,stl_vector.h:1124-1124,BsplineFunctor.h:231-231,BsplineFunctor.h:256-258,OhmmsVector.h:223-223,OhmmsVector.h:249-249,refwrap.h:347-347,TwoBodyJastrowRef.h:107-108,TwoBodyJastrowRef.h:125-127miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Outermost0.030.010.012.671.9010.195.33100001212.5014.3932.3010.674.005.631.052.00
Loop 889execstl_algobase.h:238-238,VectorSoAContainer.h:231-231,VectorSoAContainer.h:271-271,einspline_spo_ref.hpp:219-219,einspline_spo_ref.hpp:223-227,stl_vector.h:1124-1124,OhmmsVector.h:223-223,TinyVector.h:145-145miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)Outermost0.040.010.012.281.0011.104.3388.3312.850.0015.176.6715.171.373.50
Loop 975execSPOSet.h:83-86,OhmmsVector.h:178-178,OhmmsVector.h:248-249,inner_product.hpp:82-83miniqmcreference::DiracDeterminantRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Outermost0.020.010.011.832.264.952.056462.2629.2567.2019.5010.678.653.949.50
Loop 695execOneBodyJastrowRef.h:186-187miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.030.010.011.001.382.001.001100.0050.00506.4224.0024.0017.3312.0024.00
Loop 1235execstl_vector.h:988-988,unique_ptr.h:199-199,ParticleSet.cpp:242-243qmcplusplus::ParticleSet::update(bool)Single0.030.010.011.00NANA2.001NANA0.002.002.00NANA1.00
Loop 818execMultiBsplineRef.hpp:64-71miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)InBetween0.030.010.011.101.844.041.101545.0023.26320.2123.0021.0012.505.6921.00
Loop 2731execParticleBConds3DSoa.h:284-286,ParticleBConds3DSoa.h:294-296,SoaDistanceTableABOMPTarget.h:215-215,SoaDistanceTableABOMPTarget.h:218-218,SoaDistanceTableABOMPTarget.h:222-222,SoaDistanceTableABOMPTarget.h:228-228,OMPTargetMath.hpp:38-38qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)InBetween0.030.010.011.121.008.954.8320.0011.21401.614.834.334.830.541.00
Loop 589execstl_numeric.h:140-141miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.030.010.011.001.472.001.001100.0050.00218.4624.0024.0016.3612.0024.00
Loop 258execstl_vector.h:988-988,stl_vector.h:1121-1121,stl_vector.h:1124-1124,BsplineFunctor.h:164-173,BsplineFunctor.h:179-182,BsplineFunctor.h:256-258,OneBodyJastrowRef.h:134-135,OneBodyJastrowRef.h:140-141,OneBodyJastrowRef.h:151-151,OneBodyJastrowRef.h:154-155,OhmmsVector.h:229-229,OhmmsVector.h:249-249miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Outermost0.020.010.011.732.0910.311.7310000126.2513.572.1522.5013.0010.752.1813.00
Loop 217execOneBodyJastrowRef.h:214-216miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*) [clone .isra.0]Innermost0.020.010.011.001.008.001.0010.0012.500.201.001.001.000.131.00
Loop 588execTwoBodyJastrowRef.h:375-376miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.030.010.011.001.382.001.001100.0050.00618.4724.0024.0017.3312.0024.00
Loop 693execstl_numeric.h:140-141miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.020.010.011.001.472.001.001100.0050.00181.8124.0024.0016.3612.0024.00
Loop 175execstl_vector.h:987-988,stl_vector.h:1124-1124,refwrap.h:347-347,WaveFunction.cpp:266-266,WaveFunction.cpp:269-269,WaveFunction.cpp:272-274,NewTimer.h:242-242,NewTimer.h:249-249qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Outermost0.020.010.011.781.906.952.089630.5922.431.1031.1717.5016.414.4915.00
Loop 566execBsplineFunctor.h:305-336miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool)Innermost0.0200NANANANANANANANANANANANANA
Loop 75execParticleSet.h:277-277,stl_vector.h:1140-1140,stl_vector.h:1143-1143,NonLocalPP.hpp:122-122,NonLocalPP.hpp:126-126main._omp_fn.1InBetween0.0300NANANANANANANANANANANANANA
Loop 216execOneBodyJastrowRef.h:214-214,OneBodyJastrowRef.h:218-218,OhmmsVector.h:223-223,shared_ptr_base.h:1666-1666miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*) [clone .isra.0]Outermost0.0300NANANANANANANANANANANANANA
Loop 260execParticleSet.h:313-313,ParticleSet.h:316-316,stl_vector.h:1140-1140,stl_vector.h:1143-1143,BsplineFunctor.h:231-232,BsplineFunctor.h:236-241,BsplineFunctor.h:244-252,BsplineFunctor.h:256-260,OneBodyJastrowRef.h:143-146,OhmmsVector.h:223-223,shared_ptr_base.h:1666-1666miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)InBetween0.0200NANANANANANANANANANANANANA
Loop 592execstl_vector.h:1140-1140,BsplineFunctor.h:305-336miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.0200NANANANANANANANANANANANANA
Loop 2453execstl_algobase.h:930-931qmcplusplus::Vector > >::resize(unsigned long, double)Single0.0100NANANANANANANANANANANANANA
Loop 816execstl_algobase.h:238-238,stl_algobase.h:398-398,stl_algobase.h:436-437,einspline_spo_ref.hpp:183-187,stl_vector.h:1256-1256,stl_algo.h:731-731,stl_algo.h:757-757miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)Single0.0200NANANANANANANANANANANANANA
Loop 2533execstl_algobase.h:398-398,stl_algobase.h:436-438,VectorSoAContainer.h:271-271,stl_vector.h:1124-1124,stl_algo.h:731-731,stl_algo.h:757-757,SoaDistanceTableABOMPTarget.h:375-376qmcplusplus::SoaDistanceTableABOMPTarget::update(int)Single0.0200NANANANANANANANANANANANANA
Loop 169execOperatorTags.h:94-94,stl_vector.h:988-988,refwrap.h:347-347,WaveFunction.cpp:185-188,NewTimer.h:242-242,NewTimer.h:249-249qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)Single0.0100NANANANANANANANANANANANANA
Loop 891execVectorSoAContainer.h:265-265,einspline_spo_ref.hpp:206-207,stl_vector.h:1256-1256miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)Single0.0200NANANANANANANANANANANANANA
Loop 170execstl_vector.h:988-988,refwrap.h:347-347,WaveFunction.cpp:198-201,NewTimer.h:242-242,NewTimer.h:249-249qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.0200NANANANANANANANANANANANANA
Loop 888execMultiBsplineRef.hpp:226-227,MultiBsplineRef.hpp:234-236void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Outermost0.0200NANANANANANANANANANANANANA
Loop 819execMultiBsplineRef.hpp:63-63,MultiBsplineRef.hpp:66-66miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)InBetween0.0100NANANANANANANANANANANANANA
Loop 2732execSoaDistanceTableABOMPTarget.h:214-215,SoaDistanceTableABOMPTarget.h:222-225qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)Outermost0.0200NANANANANANANANANANANANANA
Loop 689execBsplineFunctor.h:291-298qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constSingle0.0200NANANANANANANANANANANANANA
Loop 568execVectorSoAContainer.h:273-273,TwoBodyJastrowRef.h:320-320,TwoBodyJastrowRef.h:334-334,TwoBodyJastrowRef.h:341-349,TwoBodyJastrowRef.h:355-355miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Outermost0.0200NANANANANANANANANANANANANA
Loop 581execstl_algobase.h:931-931,VectorSoAContainer.h:244-244,VectorSoAContainer.h:273-273,stl_iterator.h:1111-1111,BsplineFunctor.h:315-315,BsplineFunctor.h:336-336,OhmmsVector.h:223-223,OhmmsVector.h:249-249,TinyVector.h:62-62,stl_numeric.h:140-141,TwoBodyJastrowRef.h:268-269,TwoBodyJastrowRef.h:364-364,TwoBodyJastrowRef.h:367-369,TwoBodyJastrowRef.h:375-377,TwoBodyJastrowRef.h:386-393,TwoBodyJastrowRef.h:398-398miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)InBetween0.0100NANANANANANANANANANANANANA
Loop 980execOhmmsMatrix.h:217-217,OperatorTags.h:63-63,OperatorTags.h:92-94,OhmmsVector.h:248-248,TinyVector.h:62-62,TinyVectorOps.h:129-131,DiracDeterminantRef.cpp:173-173,DiracDeterminantRef.cpp:178-178,inner_product.hpp:82-83,inner_product.hpp:155-156miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Outermost0.0100NANANANANANANANANANANANANA
Loop 692execOneBodyJastrowRef.h:184-184,OneBodyJastrowRef.h:188-188,OneBodyJastrowRef.h:191-194miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Outermost0.0100NANANANANANANANANANANANANA
Loop 1242execstl_vector.h:988-988,unique_ptr.h:199-199,ParticleSet.cpp:389-390qmcplusplus::ParticleSet::acceptMove(int)Single0.0100NANANANANANANANANANANANANA
Loop 2358execVectorSoAContainer.h:271-273,stl_vector.h:1124-1124,ParticleBConds3DSoa.h:222-224,ParticleBConds3DSoa.h:234-234,ParticleBConds3DSoa.h:237-243,ParticleBConds3DSoa.h:246-248,ParticleBConds3DSoa.h:251-255,unique_ptr.h:199-199,OhmmsVector.h:223-223,OhmmsVector.h:248-248,SoaDistanceTableAAOMPTarget.h:184-185,RealSpacePositionsOMPTarget.h:163-163qmcplusplus::SoaDistanceTableAAOMPTarget::evaluate(qmcplusplus::ParticleSet&)Outermost0.0100NANANANANANANANANANANANANA
Loop 1236execstl_vector.h:988-988,unique_ptr.h:199-199,ParticleSet.cpp:343-344qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)Single0.0100NANANANANANANANANANANANANA
Loop 690execBsplineFunctor.h:305-336qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constSingle0.0100NANANANANANANANANANANANANA
Loop 116execrandom.h:1885-1885,RandomGenerator.h:51-54,random.tcc:404-409,random.tcc:412-417,random.tcc:420-425,random.tcc:458-458,random.tcc:3360-3361,random.tcc:3367-3367,random.tcc:3371-3371main._omp_fn.1InBetween0.0100NANANANANANANANANANANANANA
Loop 172execstl_vector.h:988-988,refwrap.h:347-347,WaveFunction.cpp:225-228,NewTimer.h:242-242,NewTimer.h:249-249qmcplusplus::WaveFunction::acceptMove(qmcplusplus::ParticleSet&, int)Single0.0100NANANANANANANANANANANANANA
Loop 2290execstl_algobase.h:437-437,VectorSoAContainer.h:271-271,stl_vector.h:1124-1124,SoaDistanceTableAAOMPTarget.h:437-437qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)Single0.0100NANANANANANANANANANANANANA
Loop 572execTinyVector.h:62-62,TwoBodyJastrowRef.h:150-150,TwoBodyJastrowRef.h:153-157miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Outermost0.0100NANANANANANANANANANANANANA
Loop 1891execstl_tree.h:790-790,stl_tree.h:1951-1953,NewTimer.h:119-119qmcplusplus::TimerType::stop()Single0.0400NANANANANANANANANANANANANA
Loop 579execstl_algobase.h:238-238,ParticleSet.h:313-313,ParticleSet.h:316-316,stl_vector.h:1143-1143,BsplineFunctor.h:276-276,BsplineFunctor.h:283-285,BsplineFunctor.h:291-298,BsplineFunctor.h:305-311,BsplineFunctor.h:315-318,BsplineFunctor.h:321-336,TwoBodyJastrowRef.h:269-271miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)InBetween0.0100NANANANANANANANANANANANANA
Loop 707execOneBodyJastrowRef.h:186-187miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.0100NANANANANANANANANANANANANA
Loop 584execTwoBodyJastrowRef.h:375-375,TwoBodyJastrowRef.h:388-388,TwoBodyJastrowRef.h:393-393,TwoBodyJastrowRef.h:397-398,TwoBodyJastrowRef.h:402-402miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)InBetween0.0100NANANANANANANANANANANANANA
Loop 708execstl_numeric.h:140-141miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.0100NANANANANANANANANANANANANA
Loop 815execBsplineAllocator.hpp:179-180qmcplusplus::BsplineAllocator >::setCoefficientsForOrbitals(int, int, Array&, multi_UBspline_3d_d*) [clone ._omp_fn.0]Innermost0.0100NANANANANANANANANANANANANA
Loop 296execOperatorTags.h:94-94,OneBodyJastrowRef.h:169-169miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single0.0100NANANANANANANANANANANANANA
Loop 77execOperatorTags.h:43-43,OperatorTags.h:63-63,TinyVector.h:145-145,NonLocalPP.hpp:131-132main._omp_fn.1Innermost0.0100NANANANANANANANANANANANANA
Loop 1406execOperatorTags.h:43-43,OhmmsVector.h:178-178,VirtualParticleSet.cpp:120-120qmcplusplus::VirtualParticleSet::makeMoves(qmcplusplus::ParticleSet const&, int, std::vector, std::allocator > > const&, bool, int)Single000NANANANANANANANANANANANANA
Loop 1887execstl_tree.h:790-790,stl_tree.h:1951-1953,NewTimer.h:119-119qmcplusplus::TimerType::stop()Single0.0200NANANANANANANANANANANANANA
Loop 127execstl_algobase.h:918-919main._omp_fn.1Single000NANANANANANANANANANANANANA
Loop 123execrandom.h:1885-1885,StdRandom.h:102-103,random.tcc:404-409,random.tcc:412-417,random.tcc:420-425,random.tcc:458-458,random.tcc:3360-3361,random.tcc:3367-3368main._omp_fn.1InBetween0.0100NANANANANANANANANANANANANA
Loop 998execOhmmsMatrix.h:217-217,OperatorTags.h:63-63,OperatorTags.h:94-94,OhmmsVector.h:248-248,TinyVector.h:62-62,TinyVectorOps.h:129-131,DiracDeterminantRef.cpp:247-247,DiracDeterminantRef.cpp:252-252,inner_product.hpp:82-83,inner_product.hpp:155-156miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Outermost0.0100NANANANANANANANANANANANANA
Loop 705execstl_iterator.h:1077-1077,stl_iterator.h:1111-1111,stl_iterator.h:1148-1148,stl_vector.h:1143-1143,stl_vector.h:1255-1256,OneBodyJastrowRef.h:109-113,OneBodyJastrowRef.h:123-123,OneBodyJastrowRef.h:184-188,OhmmsVector.h:223-223,OhmmsVector.h:249-249,stl_numeric.h:140-141miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Outermost0.0100NANANANANANANANANANANANANA
Loop 119execrandom.tcc:458-466,random.tcc:3362-3365main._omp_fn.1Innermost000NANANANANANANANANANANANANA
Loop 117execrandom.tcc:458-466,random.tcc:3362-3365main._omp_fn.1Innermost0.0100NANANANANANANANANANANANANA
Loop 1743execVectorSoAContainer.h:41-41std::vector >, std::allocator > > >::resize(unsigned long)Single000NANANANANANANANANANANANANA
Loop 968execOhmmsMatrix.h:236-236,OhmmsVector.h:223-223,DelayedUpdate.h:186-187miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single000NANANANANANANANANANANANANA
Loop 591execBsplineFunctor.h:305-336miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.0100NANANANANANANANANANANANANA
Loop 1001execOhmmsMatrix.h:217-217,SPOSet.h:106-111,new_allocator.h:168-168,OhmmsVector.h:56-56,OhmmsVector.h:144-144,OhmmsVector.h:210-210miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Single0.0100NANANANANANANANANANANANANA
Loop 580execTwoBodyJastrowRef.h:377-377,TwoBodyJastrowRef.h:380-383miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)InBetween000NANANANANANANANANANANANANA
Loop 704execOneBodyJastrowRef.h:184-184,OneBodyJastrowRef.h:188-188,OneBodyJastrowRef.h:191-194miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)InBetween000NANANANANANANANANANANANANA
Loop 616execOperatorTags.h:94-94,TwoBodyJastrowRef.h:423-423miniqmcreference::TwoBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Single000NANANANANANANANANANANANANA
Loop 74execstl_algobase.h:918-919,stl_algobase.h:930-931,stl_algobase.h:1123-1123,stl_algobase.h:1129-1129,random.h:1780-1780,random.h:1885-1885,ParticleSet.h:277-277,stl_vector.h:99-100,stl_vector.h:367-367,stl_vector.h:375-375,stl_vector.h:378-378,stl_vector.h:386-386,stl_vector.h:395-397,stl_vector.h:988-988,stl_vector.h:1124-1124,stl_vector.h:1712-1712,stl_vector.h:1904-1905,new_allocator.h:88-88,new_allocator.h:100-100,new_allocator.h:130-130,new_allocator.h:147-147,new_allocator.h:168-168,unique_ptr.h:199-199,OhmmsVector.h:46-48,OhmmsVector.h:210-210,OhmmsVector.h:221-223,TinyVector.h:62-62,refwrap.h:347-347,TinyVectorTensorOps.h:77-79,stl_construct.h:119-119,stl_uninitialized.h:639-639,stl_uninitialized.h:642-642,stl_uninitialized.h:660-660,stl_uninitialized.h:667-667,random.tcc:404-409,random.tcc:412-417,random.tcc:420-425,random.tcc:458-458,random.tcc:3360-3362,random.tcc:3367-3367,random.tcc:3371-3371,NonLocalPP.hpp:97-97,NonLocalPP.hpp:104-111,NonLocalPP.hpp:116-122,NonLocalPP.hpp:126-126,Mallocator.hpp:76-78,miniqmc.cpp:414-416,miniqmc.cpp:424-425,miniqmc.cpp:464-464,miniqmc.cpp:467-469,NewTimer.h:242-242,NewTimer.h:249-249main._omp_fn.1InBetween000NANANANANANANANANANANANANA
Loop 605execTwoBodyJastrowRef.h:423-425miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single000NANANANANANANANANANANANANA
Loop 2736execVectorSoAContainer.h:148-154,VectorSoAContainer.h:167-167,VectorSoAContainer.h:174-176,stl_vector.h:1124-1124,OhmmsVector.h:149-149,OhmmsVector.h:156-158,OhmmsVector.h:212-217,OhmmsVector.h:248-248,SoaDistanceTableABOMPTarget.h:73-77qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)Single000NANANANANANANANANANANANANA
Loop 2418execVectorSoAContainer.h:167-167,VectorSoAContainer.h:174-176,stl_vector.h:1124-1124,stl_vector.h:1256-1256,OhmmsVector.h:149-149,OhmmsVector.h:156-158,aligned_allocator.hpp:46-46,SoaDistanceTableAAOMPTarget.h:96-96,SoaDistanceTableAAOMPTarget.h:106-109,Mallocator.hpp:78-79qmcplusplus::SoaDistanceTableAAOMPTarget::SoaDistanceTableAAOMPTarget(qmcplusplus::ParticleSet&)Innermost0.0100NANANANANANANANANANANANANA
Loop 609execOperatorTags.h:94-94,TwoBodyJastrowRef.h:423-423miniqmcreference::TwoBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Single000NANANANANANANANANANANANANA
Loop 599execOperatorTags.h:94-94,TwoBodyJastrowRef.h:423-423miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single000NANANANANANANANANANANANANA
Loop 1739execOhmmsVector.h:144-144,OhmmsVector.h:210-210,stl_construct.h:151-151,stl_construct.h:162-162,Mallocator.hpp:78-78qmcplusplus::DistanceTableAB::~DistanceTableAB()Single000NANANANANANANANANANANANANA
Loop 1532execOhmmsVector.h:144-144,OhmmsVector.h:210-210,stl_construct.h:151-151,stl_construct.h:162-162,Mallocator.hpp:78-78qmcplusplus::DistanceTableAA::~DistanceTableAA()Single000NANANANANANANANANANANANANA
Loop 124execrandom.tcc:458-466,random.tcc:3362-3365main._omp_fn.1Innermost000NANANANANANANANANANANANANA
Loop 1168execostream:667-667,ParticleSet.h:127-127,OperatorTags.h:43-43,OperatorTags.h:63-63,char_traits.h:409-409,CrystalLattice.h:147-147,OhmmsVector.h:223-223,TinyVector.h:170-170,TinyVectorTensorOps.h:150-152,ParticleIOUtility.h:71-90void qmcplusplus::expandSuperCell(qmcplusplus::ParticleSet&, qmcplusplus::Tensor const&)Innermost0.0100NANANANANANANANANANANANANA
Loop 601execTwoBodyJastrowRef.h:423-427miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single000NANANANANANANANANANANANANA
Loop 988execDiracMatrix.h:112-113miniqmcreference::DiracDeterminantRef >::invertPsiM(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&)Single000NANANANANANANANANANANANANA
Loop 295execOneBodyJastrowRef.h:171-172miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single0.0100NANANANANANANANANANANANANA
Loop 1883execPosTransformer.h:43-45qmcplusplus::RealSpacePositionsOMPTarget::setAllParticlePos(qmcplusplus::ParticleAttrib, std::allocator > > const&)Single000NANANANANANANANANANANANANA
Loop 1533execVectorSoAContainer.h:150-150,stl_construct.h:162-162,Mallocator.hpp:78-78qmcplusplus::DistanceTableAA::~DistanceTableAA()Single0.0100NANANANANANANANANANANANANA
Loop 174execOhmmsVector.h:379-379,TinyVector.h:164-164qmcplusplus::WaveFunction::evaluateGL(qmcplusplus::ParticleSet&)Single000NANANANANANANANANANANANANA
Loop 379execstl_algobase.h:918-919qmcplusplus::Vector, std::allocator > >::resize(unsigned long, qmcplusplus::TinyVector)Single000NANANANANANANANANANANANANA
Loop 120execrandom.tcc:404-409main._omp_fn.1Innermost000NANANANANANANANANANANANANA
Loop 112execrandom.tcc:404-409main._omp_fn.1Innermost000NANANANANANANANANANANANANA
Loop 880execrandom.tcc:458-466,random.tcc:3362-3365miniqmcreference::einspline_spo_ref::set(int, int, int, int, int, bool)Innermost000NANANANANANANANANANANANANA
Loop 606execOperatorTags.h:94-94,TwoBodyJastrowRef.h:423-423miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single000NANANANANANANANANANANANANA
Loop 879execStdRandom.h:102-103,random.tcc:404-409,random.tcc:412-417,random.tcc:420-425,random.tcc:458-458,random.tcc:3360-3361,random.tcc:3367-3368miniqmcreference::einspline_spo_ref::set(int, int, int, int, int, bool)InBetween000NANANANANANANANANANANANANA
Loop 615execTwoBodyJastrowRef.h:423-425miniqmcreference::TwoBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Single000NANANANANANANANANANANANANA
Loop 702execOperatorTags.h:94-94,OneBodyJastrowRef.h:169-169miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Single000NANANANANANANANANANANANANA
Loop 600execOperatorTags.h:94-94,TwoBodyJastrowRef.h:423-423miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single000NANANANANANANANANANANANANA
Loop 1141execrandom.h:1885-1885,StdRandom.h:102-103,random.tcc:404-409,random.tcc:412-417,random.tcc:420-425,random.tcc:458-458,random.tcc:3360-3361,random.tcc:3367-3368qmcplusplus::build_els(qmcplusplus::ParticleSet const&, StdRandom >&, bool)Outermost000NANANANANANANANANANANANANA
Loop 701execOneBodyJastrowRef.h:171-172miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Single000NANANANANANANANANANANANANA
Loop 986execDiracMatrix.h:31-35,std_abs.h:72-72miniqmcreference::DiracDeterminantRef >::invertPsiM(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&)Single000NANANANANANANANANANANANANA
Loop 294execstl_numeric.h:140-141miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single000NANANANANANANANANANANANANA
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