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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 849execMultiBsplineRef.hpp:68-70miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)Innermost23.6522.6628.091.001.504.001.001100.0025.00268.942.502.501.670.632.50
Loop 2082execParticleBConds3DSoa.h:280-298,SoaDistanceTableABOMPTarget.h:228-228qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)Innermost7.847.469.251.003.336.671.00112.7714.10389.6815.0015.004.502.2515.00
Loop 861execTinyVector.h:61-61,MultiBsplineRef.hpp:242-262miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)Innermost9.037.188.91.002.002.001.001100.0050.00748.8311.5011.505.755.7511.50
Loop 860execMultiBsplineRef.hpp:242-242,MultiBsplineRef.hpp:253-261miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)Innermost7.74.815.961.001.062.001.411100.0050.00580.116.336.336.003.174.50
Loop 1852execVectorSoAContainer.h:244-244,VectorSoAContainer.h:263-263,TinyVector.h:182-182,OhmmsVector.h:223-223,SoaDistanceTableAAOMPTarget.h:440-442qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)Single4.554.255.271.461.008.005.83154.5515.910.005.834.005.830.731.00
Loop 1363execParticleBConds3DSoa.h:235-256void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer > >(qmcplusplus::TinyVector const&, qmcplusplus::VectorSoAContainer > const&, double*, qmcplusplus::VectorSoAContainer >&, int, int, int) constSingle1.751.431.771.001.671.671.00197.0048.881504.5060.0060.0036.0036.0060.00
Loop 388execTwoBodyJastrowRef.h:107-107,BsplineFunctor.h:236-241miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Innermost1.261.081.341.751.003.8117.50280.7440.210.7817.5010.0017.504.591.00
Loop 859execTinyVector.h:61-61,MultiBsplineRef.hpp:242-242miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)InBetween2.7411.245.341.008.0811.28927.2720.74344.6533.836.3333.834.193.00
Loop 2352exec__intel_avx_rep_memsetSingle0.90.760.941.001.002.004.001100.0050.000.394.004.004.002.001.00
Loop 851execeinspline_spo_ref.hpp:223-227,VectorSoAContainer.h:231-231,VectorSoAContainer.h:271-271,TinyVector.h:145-145,OhmmsVector.h:223-223,stl_algobase.h:200-200,stl_vector.h:933-933miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)Innermost0.810.630.792.181.0012.264.02120.0013.130.006.172.836.170.501.53
Loop 332execBsplineFunctor.h:291-297qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constSingle0.550.390.491.651.003.4219.00283.4842.770.3719.0011.5019.005.561.00
Loop 973execinner_product.hpp:155-155,OperatorTags.h:63-63,DiracDeterminantRef.cpp:157-157miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.420.360.451.001.736.401.00133.3316.67176.5116.0016.009.252.5016.00
Loop 960execinner_product.hpp:155-155,TinyVector.h:61-61,OperatorTags.h:63-63miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)Single0.470.350.441.001.736.401.00133.3316.67181.8216.0016.009.252.5016.00
Loop 853execMultiBsplineRef.hpp:276-286miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)Innermost0.410.30.371.001.072.001.071100.0050.00379.024.834.834.502.424.50
Loop 864execinner_product.hpp:82-83qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)Innermost0.350.280.351.001.542.001.001100.0050.00303.174.004.002.602.004.00
Loop 961execinner_product.hpp:155-155,OperatorTags.h:63-63,DiracDeterminantRef.cpp:109-109miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.340.230.281.001.736.401.00133.3316.67275.1116.0016.009.252.5016.00
Loop 363execTwoBodyJastrowRef.h:324-331miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.260.190.241.001.312.001.001100.0050.00499.503.503.502.671.753.50
Loop 361execTwoBodyJastrowRef.h:342-347miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.250.170.211.001.332.001.001100.0050.00369.994.004.003.002.004.00
Loop 975execinner_product.hpp:82-83miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.240.170.211.001.542.001.001100.0050.00123.684.004.002.602.004.00
Loop 357execTwoBodyJastrowRef.h:342-347miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.250.160.21.001.332.001.001100.0050.00399.284.004.003.002.004.00
Loop 359execTwoBodyJastrowRef.h:342-347miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.240.160.21.001.332.001.001100.0050.00393.384.004.003.002.004.00
Loop 352execTwoBodyJastrowRef.h:155-156miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.160.120.151.001.542.001.001100.0050.00350.964.004.002.602.004.00
Loop 350execTwoBodyJastrowRef.h:155-156miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.180.120.141.001.542.001.001100.0050.00350.164.004.002.602.004.00
Loop 351execTwoBodyJastrowRef.h:155-156miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.20.110.141.001.542.001.001100.0050.00382.634.004.002.602.004.00
Loop 386execBsplineFunctor.h:246-260miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Innermost0.130.080.11.001.522.131.001100.0046.88734.6716.0016.0010.507.5016.00
Loop 958execinner_product.hpp:155-155,OperatorTags.h:63-63,DiracDeterminantRef.cpp:238-238miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.090.070.081.001.736.401.00133.3316.67182.0116.0016.009.252.5016.00
Loop 964execinner_product.hpp:82-83miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.090.060.081.001.542.001.001100.0050.00356.144.004.002.602.004.00
Loop 941execinner_product.hpp:211-212qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)Innermost0.060.060.071.111.002.403.50185.7141.070.003.503.173.501.461.00
Loop 354execstl_numeric.h:126-127,stl_iterator.h:887-887miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.090.050.071.001.782.001.001100.0050.00426.173.003.001.691.503.00
Loop 330execBsplineFunctor.h:303-338qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constSingle0.110.050.061.131.572.101.571100.0048.311147.1131.5028.0020.0015.0020.00
Loop 76execOhmmsVector.h:229-229,stl_vector.h:806-806,stl_vector.h:933-933,NonLocalPP.hpp:126-126,NonLocalPP.hpp:129-135,unique_ptr.h:150-150qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)InBetween0.080.050.062.481.0012.153.4230.0011.700.814.561.834.560.381.33
Loop 370execTwoBodyJastrowRef.h:393-398miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.080.040.051.001.008.001.5610.0012.50318.484.674.674.670.583.00
Loop 852execeinspline_spo_ref.hpp:206-207,MultiBsplineData.hpp:68-79,VectorSoAContainer.h:265-265,MultiBsplineEvalHelper.hpp:45-47,TinyVector.h:61-61,stl_algobase.h:695-696,stl_vector.h:933-933,stl_vector.h:1056-1056,MultiBsplineRef.hpp:187-192,MultiBsplineRef.hpp:198-202,MultiBsplineRef.hpp:229-229,MultiBsplineRef.hpp:244-251,MultiBsplineRef.hpp:255-258,MultiBsplineRef.hpp:269-286miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)Outermost0.060.030.031.611.806.632.2219240.1923.3618.9391.0056.5050.6313.7241.00
Loop 855execTinyVector.h:61-61,MultiBsplineRef.hpp:227-227,MultiBsplineRef.hpp:234-239,MultiBsplineRef.hpp:242-262miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)InBetween0.050.030.031.541.704.543.071660.9835.0335.2549.1732.0029.0010.8316.00
Loop 308execOneBodyJastrowRef.h:134-134,BsplineFunctor.h:236-241miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Innermost0.050.030.031.751.003.8117.50278.3338.992.8017.5010.0017.504.591.00
Loop 374execTwoBodyJastrowRef.h:381-382miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.050.020.031.001.542.001.001100.0050.00207.464.004.002.602.004.00
Loop 378execTwoBodyJastrowRef.h:381-382miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.050.020.031.001.542.001.001100.0050.00205.884.004.002.602.004.00
Loop 376execTwoBodyJastrowRef.h:381-382miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.050.020.031.001.542.001.001100.0050.00212.784.004.002.602.004.00
Loop 956execinner_product.hpp:82-83miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.040.020.021.001.542.001.001100.0050.00211.234.004.002.602.004.00
Loop 385execParticleSet.h:313-313,ParticleSet.h:316-316,TwoBodyJastrowRef.h:107-107,TwoBodyJastrowRef.h:127-129,TwoBodyJastrowRef.h:132-132,OhmmsVector.h:223-223,BsplineFunctor.h:229-229,BsplineFunctor.h:236-236,BsplineFunctor.h:240-241,BsplineFunctor.h:246-251,BsplineFunctor.h:256-260,stl_vector.h:951-951miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)InBetween0.050.020.021.001.024.713.336752.8326.26349.6940.0040.0039.138.5012.00
Loop 268execOneBodyJastrowRef.h:186-187miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.040.020.021.001.672.001.001100.0050.00256.517.007.004.203.507.00
Loop 380execTwoBodyJastrowRef.h:375-376miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.040.020.021.001.672.001.001100.0050.00319.317.007.004.203.507.00
Loop 983execstl_algobase.h:740-742miniqmcreference::DiracDeterminantRef >::resize(int, int)Single0.040.020.021.001.002.003.001100.0050.000.003.003.003.001.501.00
Loop 313execstl_algobase.h:752-754qmcplusplus::Vector >::resize(unsigned long, double)Single0.040.020.021.001.002.001.001100.0050.000.001.001.001.000.501.00
Loop 846execeinspline_spo_ref.hpp:175-176,MultiBsplineData.hpp:54-57,MultiBsplineEvalHelper.hpp:45-47,stl_algobase.h:695-696,stl_vector.h:1056-1056,MultiBsplineRef.hpp:42-44,MultiBsplineRef.hpp:47-49,MultiBsplineRef.hpp:56-58,MultiBsplineRef.hpp:67-67,MultiBsplineRef.hpp:70-71miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)Outermost0.030.010.021.212.408.731.361014.2914.2231.8527.8323.0011.603.1920.50
Loop 372execTwoBodyJastrowRef.h:388-391miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.030.010.011.001.202.001.331100.0050.00839.182.002.001.671.001.50
Loop 36execrefwrap.h:313-313,TinyVector.h:62-62,miniqmc.cpp:429-458main.extracted.110Innermost0.030.010.015.351.0011.4010.2529.9012.290.0010.251.9210.250.901.00
Loop 329execshared_ptr_base.h:1308-1308,OneBodyJastrowRef.h:214-219,ParticleSet.h:313-316,OhmmsVector.h:223-223,stl_vector.h:933-933,stl_vector.h:1056-1056miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)Single0.030.010.011.001.0012.043.0020.0011.611.603.003.003.000.251.00
Loop 854execMultiBsplineRef.hpp:226-226,MultiBsplineRef.hpp:234-236,MultiBsplineRef.hpp:244-244,MultiBsplineRef.hpp:250-250miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)InBetween0.040.010.014.381.008.008.14160.0012.354.959.502.179.501.191.17
Loop 264execOneBodyJastrowRef.h:192-193miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.040.010.011.001.542.001.001100.0050.00331.614.004.002.602.004.00
Loop 263execOneBodyJastrowRef.h:192-193miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.030.010.011.001.542.001.001100.0050.00343.414.004.002.602.004.00
Loop 384execrefwrap.h:313-313,shared_ptr_base.h:1308-1308,optional:897-897,optional:1213-1213,TwoBodyJastrowRef.h:107-108,TwoBodyJastrowRef.h:126-127,OhmmsVector.h:223-223,OhmmsVector.h:229-229,OhmmsVector.h:249-249,stl_vector.h:806-806,stl_vector.h:933-933,stl_vector.h:951-951,stl_vector.h:1056-1056miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Outermost0.030.010.012.272.1814.084.926824.0015.8118.559.834.334.510.702.00
Loop 77execVectorSoAContainer.h:231-231,TinyVector.h:145-145,OhmmsVector.h:229-229,OperatorTags.h:43-43,OperatorTags.h:63-63,stl_vector.h:806-806,stl_vector.h:933-933,NonLocalPP.hpp:131-132qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)Innermost0.030.010.011.001.697.062.14130.0016.252.405.005.002.960.712.33
Loop 265execOneBodyJastrowRef.h:192-193miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.020.010.011.001.542.001.001100.0050.00335.464.004.002.602.004.00
Loop 1217execstl_vector.h:806-806,ParticleSet.cpp:242-243,unique_ptr.h:150-150qmcplusplus::ParticleSet::update(bool)Single0.020.010.011.001.008.002.0010.0012.500.002.002.002.000.251.00
Loop 305execshared_ptr_base.h:1308-1308,OneBodyJastrowRef.h:134-134,OneBodyJastrowRef.h:143-146,ParticleSet.h:313-313,OhmmsVector.h:223-223,BsplineFunctor.h:229-229,BsplineFunctor.h:236-236,BsplineFunctor.h:240-240,BsplineFunctor.h:246-251,BsplineFunctor.h:256-260,stl_vector.h:951-951,stl_vector.h:1056-1056miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)InBetween0.020.010.011.001.024.713.336848.0825.2832.6540.0040.0039.138.5012.00
Loop 108execrefwrap.h:313-313,NewTimer.h:242-242,NewTimer.h:249-249,WaveFunction.cpp:263-263,WaveFunction.cpp:269-269,WaveFunction.cpp:272-273,stl_vector.h:806-806,stl_vector.h:933-933qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Outermost0.020.010.011.001.0013.802.67816.6713.540.108.008.008.000.583.00
Loop 847execMultiBsplineRef.hpp:63-63,MultiBsplineRef.hpp:66-66,MultiBsplineRef.hpp:70-70miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)InBetween0.0200.013.251.0010.153.7150.0012.15NA4.331.334.330.431.17
Loop 102execrefwrap.h:313-313,NewTimer.h:242-242,NewTimer.h:249-249,WaveFunction.cpp:198-201,stl_vector.h:806-806,stl_vector.h:933-933qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.0200.011.862.6712.692.6010.0011.72NA4.332.331.630.341.67
Loop 382execstl_numeric.h:126-127,stl_iterator.h:887-887miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.0200.011.001.782.001.001100.0050.00NA3.003.001.691.503.00
Loop 862execinner_product.hpp:82-83,SPOSet.h:83-86,OhmmsVector.h:178-178,OhmmsVector.h:248-249,stl_vector.h:933-933qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)Outermost0.0200.012.491.7410.193.78435.2616.42NA4.251.712.440.421.13
Loop 297execOneBodyJastrowRef.h:192-193miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.0100.011.001.542.001.001100.0050.00NA4.004.002.602.004.00
Loop 303execOneBodyJastrowRef.h:134-135,OneBodyJastrowRef.h:141-141,OneBodyJastrowRef.h:146-146,OneBodyJastrowRef.h:151-153,OhmmsVector.h:223-223,OhmmsVector.h:229-229,OhmmsVector.h:249-249,stl_vector.h:806-806,stl_vector.h:933-933,stl_vector.h:951-951,stl_vector.h:1056-1056miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Outermost0.0200.013.172.4711.626.337222.7314.49NA9.503.003.850.821.50
Loop 355execshared_ptr_base.h:1308-1308,ParticleSet.h:313-316,TwoBodyJastrowRef.h:269-274,OhmmsVector.h:223-223miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.0100NANANANANANANANANANANANANA
Loop 295execOneBodyJastrowRef.h:192-193miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.0100NANANANANANANANANANANANANA
Loop 848execMultiBsplineRef.hpp:64-71miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)InBetween0.0200NANANANANANANANANANANANANA
Loop 101execrefwrap.h:313-313,NewTimer.h:242-242,NewTimer.h:249-249,OperatorTags.h:94-94,WaveFunction.cpp:185-188,stl_vector.h:806-806,stl_vector.h:933-933qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)Single0.0200NANANANANANANANANANANANANA
Loop 845execeinspline_spo_ref.hpp:183-187,stl_algobase.h:200-200,stl_algobase.h:366-368,stl_vector.h:933-933,stl_vector.h:1056-1056,stl_algo.h:782-782miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)Single0.0400NANANANANANANANANANANANANA
Loop 296execOneBodyJastrowRef.h:192-193miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.0100NANANANANANANANANANANANANA
Loop 1047execstl_algobase.h:752-754qmcplusplus::Vector > >::resize(unsigned long, double)Single0.0100NANANANANANANANANANANANANA
Loop 75execVectorSoAContainer.h:231-231,ParticleSet.h:277-277,TinyVector.h:170-170,OhmmsVector.h:229-229,stl_vector.h:951-951,NonLocalPP.hpp:122-122,NonLocalPP.hpp:126-126qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)Outermost0.0200NANANANANANANANANANANANANA
Loop 258execstl_numeric.h:126-127,stl_iterator.h:887-887miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.0100NANANANANANANANANANANANANA
Loop 2084execSoaDistanceTableABOMPTarget.h:215-217,SoaDistanceTableABOMPTarget.h:222-222,SoaDistanceTableABOMPTarget.h:228-228qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)InBetween0.0100NANANANANANANANANANANANANA
Loop 104execrefwrap.h:313-313,NewTimer.h:242-242,NewTimer.h:249-249,WaveFunction.cpp:225-228,stl_vector.h:806-806,stl_vector.h:933-933qmcplusplus::WaveFunction::acceptMove(qmcplusplus::ParticleSet&, int)Single0.0100NANANANANANANANANANANANANA
Loop 1224execstl_vector.h:806-806,ParticleSet.cpp:343-344,unique_ptr.h:150-150qmcplusplus::ParticleSet::computeNewPosDistTables(int, qmcplusplus::TinyVector const&, bool)Single0.0100NANANANANANANANANANANANANA
Loop 257execstl_numeric.h:127-127,stl_iterator.h:887-887miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.0100NANANANANANANANANANANANANA
Loop 2085execSoaDistanceTableABOMPTarget.h:194-196qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)Single0.0100NANANANANANANANANANANANANA
Loop 300execOneBodyJastrowRef.h:186-187miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.0100NANANANANANANANANANANANANA
Loop 2083execParticleBConds3DSoa.h:284-286,ParticleBConds3DSoa.h:289-289,ParticleBConds3DSoa.h:294-296,SoaDistanceTableABOMPTarget.h:214-214,SoaDistanceTableABOMPTarget.h:222-222qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)Outermost0.0100NANANANANANANANANANANANANA
Loop 971execinner_product.hpp:82-83,inner_product.hpp:155-155,TinyVector.h:62-62,TinyVector.h:169-169,OperatorTags.h:94-94,DiracDeterminantRef.cpp:157-157,DiracDeterminantRef.cpp:173-173,DiracDeterminantRef.cpp:178-178,TinyVectorOps.h:131-131miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Outermost0.0100NANANANANANANANANANANANANA
Loop 365execshared_ptr_base.h:1308-1308,ParticleSet.h:313-316,TwoBodyJastrowRef.h:269-274,OhmmsVector.h:223-223miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.0100NANANANANANANANANANANANANA
Loop 1230execstl_vector.h:806-806,ParticleSet.cpp:389-390,unique_ptr.h:150-150qmcplusplus::ParticleSet::acceptMove(int)Single0.0100NANANANANANANANANANANANANA
Loop 369execVectorSoAContainer.h:244-244,VectorSoAContainer.h:263-263,VectorSoAContainer.h:273-273,DistanceTable.h:268-268,TwoBodyJastrowRef.h:268-269,TwoBodyJastrowRef.h:364-364,TwoBodyJastrowRef.h:367-367,TwoBodyJastrowRef.h:375-376,TwoBodyJastrowRef.h:381-383,TwoBodyJastrowRef.h:386-393,TwoBodyJastrowRef.h:397-398,TwoBodyJastrowRef.h:420-420,stl_numeric.h:126-127,OhmmsVector.h:223-223,OhmmsVector.h:229-229,OhmmsVector.h:249-249,stl_algobase.h:752-754,stl_iterator.h:784-784,stl_iterator.h:887-887,stl_vector.h:951-951,stl_vector.h:1056-1056miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)InBetween0.0100NANANANANANANANANANANANANA
Loop 1553execNewTimer.h:119-124,stl_tree.h:787-787,stl_tree.h:795-795,stl_tree.h:1210-1210,stl_tree.h:1894-1895std::map, double, std::less >, std::allocator const, double> > >::operator[](qmcplusplus::StackKeyParam<2> const&)Single0.0600NANANANANANANANANANANANANA
Loop 353execstl_numeric.h:127-127,stl_iterator.h:887-887miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.0100NANANANANANANANANANANANANA
Loop 968execDelayedUpdate.h:137-138miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.0100NANANANANANANANANANANANANA
Loop 110execWaveFunction.cpp:273-274qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Innermost000NANANANANANANANANANANANANA
Loop 850execeinspline_spo_ref.hpp:219-219,einspline_spo_ref.hpp:222-223,VectorSoAContainer.h:231-231,stl_vector.h:933-933miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)Outermost000NANANANANANANANANANANANANA
Loop 302execstl_numeric.h:126-127,stl_iterator.h:887-887miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost000NANANANANANANANANANANANANA
Loop 866execOhmmsMatrix.h:217-217,SPOSet.h:106-111,OhmmsVector.h:56-56,OhmmsVector.h:144-144,OhmmsVector.h:210-212,OhmmsVector.h:287-287,new_allocator.h:125-125qmcplusplus::SPOSet::evaluate_notranspose(qmcplusplus::ParticleSet const&, int, int, qmcplusplus::Matrix >&, qmcplusplus::Matrix, std::allocator > >&, qmcplusplus::Matrix >&)Single000NANANANANANANANANANANANANA
Loop 1551execNewTimer.cpp:99-100qmcplusplus::TimerType::stop()Single000NANANANANANANANANANANANANA
Loop 306execBsplineFunctor.h:246-260miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Innermost000NANANANANANANANANANANANANA
Loop 1847execOhmmsVector.h:223-223,OhmmsVector.h:248-248,SoaDistanceTableAAOMPTarget.h:184-185,stl_vector.h:933-933,unique_ptr.h:150-150qmcplusplus::SoaDistanceTableAAOMPTarget::evaluate(qmcplusplus::ParticleSet&)Single000NANANANANANANANANANANANANA
Loop 43execrandom.h:1726-1726,random.h:1730-1730,random.h:1814-1814,random.h:1823-1823,RandomGenerator.h:51-55,random.tcc:419-419,random.tcc:3324-3324,random.tcc:3334-3335,random.tcc:3338-3338main.extracted.110InBetween000NANANANANANANANANANANANANA
Loop 1549execNewTimer.cpp:53-54qmcplusplus::TimerType::start()Single000NANANANANANANANANANANANANA
Loop 1362execParticleBConds3DSoa.h:235-256void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer > >(qmcplusplus::TinyVector const&, qmcplusplus::VectorSoAContainer > const&, double*, qmcplusplus::VectorSoAContainer >&, int, int, int) constSingle000NANANANANANANANANANANANANA
Loop 948execDelayedUpdate.h:160-160,DelayedUpdate.h:186-187qmcplusplus::DelayedUpdate::updateInvMat(qmcplusplus::Matrix >&)Single000NANANANANANANANANANANANANA
Loop 940execinner_product.hpp:210-212qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)InBetween000NANANANANANANANANANANANANA
Loop 281execOneBodyJastrowRef.h:169-169,OperatorTags.h:94-94miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single000NANANANANANANANANANANANANA
Loop 967execDelayedUpdate.h:137-138miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single000NANANANANANANANANANANANANA
Loop 57execstl_algobase.h:740-742main.extracted.110Innermost000NANANANANANANANANANANANANA
Loop 863execinner_product.hpp:82-83qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)Innermost000NANANANANANANANANANANANANA
Loop 1361execParticleBConds3DSoa.h:235-255void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer > >(qmcplusplus::TinyVector const&, qmcplusplus::VectorSoAContainer > const&, double*, qmcplusplus::VectorSoAContainer >&, int, int, int) constSingle000NANANANANANANANANANANANANA
Loop 44execrandom.tcc:403-406,random.tcc:413-413,random.tcc:417-420,random.tcc:455-455,random.tcc:459-463,random.tcc:3329-3332main.extracted.110InBetween0.0100NANANANANANANANANANANANANA
Loop 347execTwoBodyJastrowRef.h:155-156miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single000NANANANANANANANANANANANANA
Loop 51execrandom.tcc:403-406,random.tcc:413-413,random.tcc:417-420,random.tcc:455-455,random.tcc:459-463,random.tcc:3329-3332main.extracted.110InBetween000NANANANANANANANANANANANANA
Loop 1554execNewTimer.h:119-124,stl_tree.h:787-787,stl_tree.h:795-795,stl_tree.h:1210-1210,stl_tree.h:1894-1895std::map, long, std::less >, std::allocator const, long> > >::operator[](qmcplusplus::StackKeyParam<2> const&)Single0.0100NANANANANANANANANANANANANA
Loop 1276execOhmmsVector.h:178-178,OhmmsVector.h:223-223,OhmmsVector.h:229-229,OperatorTags.h:43-43,VirtualParticleSet.cpp:119-120,stl_vector.h:951-951qmcplusplus::VirtualParticleSet::makeMoves(qmcplusplus::ParticleSet const&, int, std::vector, std::allocator > > const&, bool, int)Single000NANANANANANANANANANANANANA
Loop 47execrandom.tcc:403-406,random.tcc:413-413,random.tcc:417-420,random.tcc:455-455,random.tcc:459-463,random.tcc:3329-3332main.extracted.110InBetween000NANANANANANANANANANANANANA
Loop 49execrandom.tcc:409-414main.extracted.110Innermost000NANANANANANANANANANANANANA
Loop 367execTwoBodyJastrowRef.h:423-427,OperatorTags.h:94-94miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single0.0100NANANANANANANANANANANANANA
Loop 383execshared_ptr_base.h:1308-1308,ParticleSet.h:313-316,TwoBodyJastrowRef.h:269-274,OhmmsVector.h:223-223,stl_algobase.h:200-200miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost000NANANANANANANANANANANANANA
Loop 48execrandom.tcc:401-406main.extracted.110Innermost000NANANANANANANANANANANANANA
Loop 1540execPosTransformer.h:39-46qmcplusplus::RealSpacePositionsOMPTarget::setAllParticlePos(qmcplusplus::ParticleAttrib, std::allocator > > const&)Single000NANANANANANANANANANANANANA
Loop 966execDelayedUpdate.h:147-148miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single000NANANANANANANANANANANANANA
Loop 331execBsplineFunctor.h:291-298qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constSingle000NANANANANANANANANANANANANA
Loop 965execDelayedUpdate.h:147-148miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single000NANANANANANANANANANANANANA
Loop 379execTwoBodyJastrowRef.h:375-376miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost000NANANANANANANANANANANANANA
Loop 1338execstl_uninitialized.h:526-526,OhmmsVector.h:47-47,OhmmsVector.h:287-287std::vector >, std::allocator > > >::_M_default_append(unsigned long)Single000NANANANANANANANANANANANANA
Loop 935execDiracMatrix.h:112-113qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)Single000NANANANANANANANANANANANANA
Loop 835execStdRandom.h:102-103,random.tcc:3325-3325,random.tcc:3334-3335,random.tcc:3338-3338miniqmcreference::einspline_spo_ref::set(int, int, int, int, int, bool)InBetween000NANANANANANANANANANANANANA
Loop 963execinner_product.hpp:82-83miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single000NANANANANANANANANANANANANA
Loop 106execTinyVector.h:164-164,OhmmsVector.h:379-379qmcplusplus::WaveFunction::evaluateGL(qmcplusplus::ParticleSet&)Single000NANANANANANANANANANANANANA
Loop 954execinner_product.hpp:82-83,inner_product.hpp:155-155,TinyVector.h:62-62,TinyVector.h:169-169,OperatorTags.h:94-94,DiracDeterminantRef.cpp:238-238,DiracDeterminantRef.cpp:247-247,DiracDeterminantRef.cpp:252-252,TinyVectorOps.h:131-131miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Outermost000NANANANANANANANANANANANANA
Loop 105execrefwrap.h:313-313,NewTimer.h:242-242,NewTimer.h:249-249,WaveFunction.cpp:252-256,stl_vector.h:806-806,stl_vector.h:933-933qmcplusplus::WaveFunction::evaluateGL(qmcplusplus::ParticleSet&)Single000NANANANANANANANANANANANANA
Loop 98execrefwrap.h:313-313,NewTimer.h:242-242,NewTimer.h:249-249,WaveFunction.cpp:172-175,stl_vector.h:806-806,stl_vector.h:933-933qmcplusplus::WaveFunction::evaluateLog(qmcplusplus::ParticleSet&)Single000NANANANANANANANANANANANANA
Loop 290execOneBodyJastrowRef.h:109-113,OneBodyJastrowRef.h:166-166,OneBodyJastrowRef.h:186-188,OneBodyJastrowRef.h:192-194,VectorSoAContainer.h:273-273,TinyVector.h:169-169,stl_numeric.h:126-127,OhmmsVector.h:223-223,OhmmsVector.h:249-249,stl_iterator.h:784-784,stl_iterator.h:887-887,stl_vector.h:951-951,stl_vector.h:1056-1056miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Outermost000NANANANANANANANANANANANANA
Loop 373execTwoBodyJastrowRef.h:381-382miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost000NANANANANANANANANANANANANA
Loop 285execOneBodyJastrowRef.h:171-172miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single000NANANANANANANANANANANANANA
Loop 1316execVectorSoAContainer.h:150-153,stl_construct.h:107-107,Mallocator.hpp:78-78qmcplusplus::DistanceTableAA::~DistanceTableAA()Single000NANANANANANANANANANANANANA
Loop 50execrandom.h:1726-1726,random.h:1730-1730,random.h:1814-1814,random.h:1823-1823,StdRandom.h:102-103,random.tcc:419-419,random.tcc:3325-3325,random.tcc:3334-3335,random.tcc:3338-3338main.extracted.110InBetween000NANANANANANANANANANANANANA
Loop 377execTwoBodyJastrowRef.h:381-382miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost000NANANANANANANANANANANANANA
Loop 375execTwoBodyJastrowRef.h:381-382miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost000NANANANANANANANANANANANANA
Loop 1108execParticleSet.h:127-127,ostream:564-564,OhmmsVector.h:223-223,TinyVectorTensorOps.h:150-152,OperatorTags.h:43-43,InfoStream.h:37-37,ParticleIOUtility.h:71-90,char_traits.h:329-329void qmcplusplus::expandSuperCell(qmcplusplus::ParticleSet&, qmcplusplus::Tensor const&)Innermost000NANANANANANANANANANANANANA
Loop 836execrandom.tcc:404-406,random.tcc:417-420,random.tcc:455-455,random.tcc:459-463,random.tcc:3329-3332miniqmcreference::einspline_spo_ref::set(int, int, int, int, int, bool)InBetween000NANANANANANANANANANANANANA
Loop 831execBsplineAllocator.hpp:179-180qmcplusplus::BsplineAllocator >::setCoefficientsForOrbitals(int, int, Array&, multi_UBspline_3d_d*) [clone .extracted]Innermost000NANANANANANANANANANANANANA
Loop 284execstl_numeric.h:126-127miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single000NANANANANANANANANANANANANA
Loop 1098execrandom.h:1823-1823,StdRandom.h:102-103,random.tcc:406-406,random.tcc:3334-3335,random.tcc:3338-3338qmcplusplus::build_els(qmcplusplus::ParticleSet const&, StdRandom >&, bool)Outermost000NANANANANANANANANANANANANA
Loop 932execDiracMatrix.h:31-35,std_abs.h:71-71qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)Single000NANANANANANANANANANANANANA
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