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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 748execMultiBsplineRef.hpp:68-70miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)Innermost27.552623.11.001.504.001.001100.0025.00225.802.502.501.670.632.50
Loop 762execTinyVector.h:61-61,MultiBsplineRef.hpp:242-262miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)Innermost14.611.5210.231.002.002.001.001100.0050.00473.8611.5011.505.755.7511.50
Loop 1964execSoaDistanceTableABOMPTarget.h:228-228,ParticleBConds3DSoa.h:280-298qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)Innermost9.869.278.241.003.006.671.00125.0015.63264.8015.0015.005.002.2515.00
Loop 1724execOhmmsVector.h:223-223,TinyVector.h:182-182,SoaDistanceTableAAOMPTarget.h:440-442,VectorSoAContainer.h:244-244,VectorSoAContainer.h:263-263qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)Single8.227.496.651.541.008.003.33154.5515.910.003.332.173.330.421.00
Loop 761execMultiBsplineRef.hpp:242-242,MultiBsplineRef.hpp:253-261miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)Innermost6.855.6351.001.062.001.411100.0050.00483.296.336.336.003.174.50
Loop 1227execParticleBConds3DSoa.h:235-256void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer > >(qmcplusplus::TinyVector const&, qmcplusplus::VectorSoAContainer > const&, double*, qmcplusplus::VectorSoAContainer >&, int, int, int) constSingle2.51.981.761.001.671.671.00194.6447.991085.0930.0030.0018.0018.0030.00
Loop 252execBsplineFunctor.h:236-241qmcplusplus::BsplineFunctor::evaluateV(int, int, int, double const*, double*) constSingle2.151.71.511.001.0011.161.4765610.0011.160.1812.5012.5012.501.128.50
Loop 2247exec__intel_avx_rep_memsetSingle1.441.231.091.001.002.004.001100.0050.000.264.004.004.002.001.00
Loop 760execTinyVector.h:61-61,MultiBsplineRef.hpp:242-242miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)InBetween1.251.010.93.741.006.6815.47938.6422.37292.6938.6710.3338.675.792.50
Loop 750execOhmmsVector.h:223-223,TinyVector.h:145-145,VectorSoAContainer.h:231-231,VectorSoAContainer.h:271-271,stl_algobase.h:200-200,einspline_spo_ref.hpp:223-227,stl_vector.h:933-933miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)Innermost1.130.910.812.111.0012.675.4310.0011.930.006.333.006.330.501.17
Loop 275execTwoBodyJastrowRef.h:342-347miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Innermost1.070.890.791.001.332.001.001100.0050.00213.664.004.003.002.004.00
Loop 866execDiracDeterminantRef.cpp:157-157,OperatorTags.h:63-63,inner_product.hpp:155-155miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.810.620.551.001.736.401.00133.3316.67102.0016.0016.009.252.5016.00
Loop 248execBsplineFunctor.h:291-298qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constSingle0.750.620.551.181.0012.531.70810.009.940.037.676.507.670.614.50
Loop 853execTinyVector.h:61-61,OperatorTags.h:63-63,inner_product.hpp:155-155miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)Single0.720.590.521.001.736.401.00133.3316.67108.6316.0016.009.252.5016.00
Loop 753execMultiBsplineRef.hpp:276-286miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)Innermost0.450.360.321.001.072.001.071100.0050.00305.854.834.834.502.424.50
Loop 765execinner_product.hpp:82-83qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)Innermost0.460.360.321.001.542.001.001100.0050.00234.254.004.002.602.004.00
Loop 278execTwoBodyJastrowRef.h:324-331miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.470.360.321.001.312.001.001100.0050.00263.083.503.502.671.753.50
Loop 868execinner_product.hpp:82-83miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.460.280.251.001.542.001.001100.0050.0075.394.004.002.602.004.00
Loop 854execDiracDeterminantRef.cpp:109-109,OperatorTags.h:63-63,inner_product.hpp:155-155miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.410.270.241.001.736.401.00133.3316.67234.1716.0016.009.252.5016.00
Loop 269execTwoBodyJastrowRef.h:155-156miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.230.150.131.001.542.001.001100.0050.00279.494.004.002.602.004.00
Loop 265execTwoBodyJastrowRef.h:155-156miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.230.150.131.001.542.001.001100.0050.00277.594.004.002.602.004.00
Loop 835execinner_product.hpp:211-212qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)Innermost0.320.150.131.001.003.037.33166.6731.250.007.337.337.332.421.00
Loop 267execTwoBodyJastrowRef.h:155-156miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.220.140.131.001.542.001.001100.0050.00303.104.004.002.602.004.00
Loop 250execBsplineFunctor.h:246-260,stl_vector.h:951-951qmcplusplus::BsplineFunctor::evaluateV(int, int, int, double const*, double*) constSingle0.180.120.11.001.233.331.46155.2630.26515.6223.3323.3319.007.0016.00
Loop 851execDiracDeterminantRef.cpp:238-238,OperatorTags.h:63-63,inner_product.hpp:155-155miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.180.110.11.001.736.401.00133.3316.67116.0816.0016.009.252.5016.00
Loop 857execinner_product.hpp:82-83miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.160.10.091.001.542.001.001100.0050.00210.054.004.002.602.004.00
Loop 246execBsplineFunctor.h:303-338,stl_vector.h:951-951qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constSingle0.140.070.061.001.442.721.70164.3434.30806.5934.0034.0023.5812.5020.00
Loop 271execstl_numeric.h:126-127,stl_iterator.h:887-887miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.110.070.061.001.782.001.001100.0050.00302.193.003.001.691.503.00
Loop 50execOhmmsVector.h:229-229,NonLocalPP.hpp:126-126,NonLocalPP.hpp:129-135,stl_vector.h:806-806,stl_vector.h:933-933,unique_ptr.h:150-150qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)InBetween0.10.060.052.481.0012.153.4230.0011.700.514.561.834.560.381.33
Loop 286execTwoBodyJastrowRef.h:393-398miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.080.040.041.001.008.001.5610.0012.50318.364.674.674.670.583.00
Loop 755execTinyVector.h:61-61,MultiBsplineRef.hpp:227-227,MultiBsplineRef.hpp:234-239,MultiBsplineRef.hpp:242-242,MultiBsplineRef.hpp:253-258miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)InBetween0.080.040.032.521.105.245.961423.6818.9720.4626.8310.6724.505.134.50
Loop 849execinner_product.hpp:82-83miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.070.030.031.001.542.001.001100.0050.00139.744.004.002.602.004.00
Loop 751execTinyVector.h:61-61,MultiBsplineEvalHelper.hpp:45-47,VectorSoAContainer.h:265-265,MultiBsplineRef.hpp:187-192,MultiBsplineRef.hpp:198-202,MultiBsplineRef.hpp:229-229,MultiBsplineRef.hpp:244-244,MultiBsplineRef.hpp:249-251,MultiBsplineRef.hpp:255-258,MultiBsplineRef.hpp:269-286,stl_algobase.h:695-696,einspline_spo_ref.hpp:206-207,stl_vector.h:933-933,stl_vector.h:1056-1056,MultiBsplineData.hpp:68-79miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)Outermost0.050.020.021.981.847.982.2711233.2118.6123.2883.0041.8345.1310.4036.50
Loop 876execstl_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 292execTwoBodyJastrowRef.h:381-382miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.060.020.021.001.542.001.001100.0050.00212.934.004.002.602.004.00
Loop 189execOneBodyJastrowRef.h:186-187miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.050.020.021.001.672.001.001100.0050.00254.617.007.004.203.507.00
Loop 230execstl_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 290execTwoBodyJastrowRef.h:381-382miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.050.020.021.001.542.001.001100.0050.00209.934.004.002.602.004.00
Loop 294execTwoBodyJastrowRef.h:381-382miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.050.020.021.001.542.001.001100.0050.00205.984.004.002.602.004.00
Loop 296execTwoBodyJastrowRef.h:375-376miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.040.020.021.001.672.001.001100.0050.00317.167.007.004.203.507.00
Loop 28execrefwrap.h:313-313,TinyVector.h:62-62,miniqmc.cpp:429-458,stl_vector.h:933-933main.extracted.110Innermost0.050.020.012.761.0013.123.3427.7411.770.0310.583.8310.580.813.17
Loop 288execTwoBodyJastrowRef.h:388-391miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.030.020.011.001.202.001.331100.0050.00422.512.002.001.671.001.50
Loop 181execOneBodyJastrowRef.h:192-193miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.030.010.011.001.542.001.001100.0050.00366.664.004.002.602.004.00
Loop 185execOneBodyJastrowRef.h:192-193miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.040.010.011.001.542.001.001100.0050.00354.614.004.002.602.004.00
Loop 244execOneBodyJastrowRef.h:214-219,shared_ptr_base.h:1308-1308,OhmmsVector.h:223-223,ParticleSet.h:313-316,stl_vector.h:933-933,stl_vector.h:1056-1056miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)Single0.030.010.011.001.0012.043.0020.0011.611.503.003.003.000.251.00
Loop 51execOhmmsVector.h:229-229,NonLocalPP.hpp:131-132,TinyVector.h:145-145,VectorSoAContainer.h:231-231,OperatorTags.h:43-43,OperatorTags.h:63-63,stl_vector.h:806-806,stl_vector.h:933-933qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)Innermost0.030.010.011.001.697.062.14130.0016.253.905.005.002.960.712.33
Loop 1076execParticleSet.cpp:242-243,stl_vector.h:806-806,unique_ptr.h:150-150qmcplusplus::ParticleSet::update(bool)Single0.030.010.011.001.008.002.0010.0012.500.002.002.002.000.251.00
Loop 754execMultiBsplineRef.hpp:226-226,MultiBsplineRef.hpp:234-236,MultiBsplineRef.hpp:250-250miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)InBetween0.030.010.014.501.008.007.20140.0012.503.5012.002.6712.001.501.67
Loop 184execOneBodyJastrowRef.h:192-193miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.030.010.011.001.542.001.001100.0050.00357.414.004.002.602.004.00
Loop 745execMultiBsplineEvalHelper.hpp:45-47,MultiBsplineRef.hpp:42-44,MultiBsplineRef.hpp:47-49,MultiBsplineRef.hpp:56-58,MultiBsplineRef.hpp:67-71,stl_algobase.h:200-200,stl_algobase.h:695-696,einspline_spo_ref.hpp:175-176,stl_vector.h:1056-1056,MultiBsplineData.hpp:54-57miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)Outermost0.030.010.011.362.027.181.561017.0714.6330.1032.0023.5015.864.4520.50
Loop 300execrefwrap.h:313-313,OhmmsVector.h:223-223,OhmmsVector.h:229-229,OhmmsVector.h:249-249,TwoBodyJastrowRef.h:107-108,TwoBodyJastrowRef.h:126-127,optional:897-897,optional:1213-1213,stl_vector.h:806-806,stl_vector.h:933-933,stl_vector.h:951-951miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Outermost0.030.010.012.282.6921.903.0428.3911.8713.756.082.672.270.282.00
Loop 245execBsplineFunctor.h:303-338qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constSingle0.030.010.011.002.406.901.00143.3019.46184.3125.0025.0010.423.6325.00
Loop 223execOneBodyJastrowRef.h:134-135,OneBodyJastrowRef.h:141-141,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:951-951miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Outermost0.030.010.013.212.5712.515.00617.6513.970.157.502.332.920.601.50
Loop 746execMultiBsplineRef.hpp:63-63,MultiBsplineRef.hpp:66-66,MultiBsplineRef.hpp:70-71miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)InBetween0.020.010NANANANANANANA329.11NANANANANA
Loop 249execBsplineFunctor.h:246-260qmcplusplus::BsplineFunctor::evaluateV(int, int, int, double const*, double*) constSingle0.030.010NANANANANANANA270.71NANANANANA
Loop 298execstl_numeric.h:126-127,stl_iterator.h:887-887miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.040.010NANANANANANANA205.26NANANANANA
Loop 74execrefwrap.h:313-313,OperatorTags.h:94-94,WaveFunction.cpp:185-188,stl_vector.h:806-806,stl_vector.h:933-933,NewTimer.h:242-242,NewTimer.h:249-249qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)Single0.0300NANANANANANANANANANANANANA
Loop 49execOhmmsVector.h:229-229,NonLocalPP.hpp:122-122,NonLocalPP.hpp:126-126,TinyVector.h:170-170,VectorSoAContainer.h:231-231,ParticleSet.h:277-277,stl_vector.h:951-951qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)Outermost0.0300NANANANANANANANANANANANANA
Loop 216execOneBodyJastrowRef.h:192-193miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.0200NANANANANANANANANANANANANA
Loop 215execOneBodyJastrowRef.h:192-193miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.0200NANANANANANANANANANANANANA
Loop 80execrefwrap.h:313-313,WaveFunction.cpp:263-263,WaveFunction.cpp:269-269,WaveFunction.cpp:272-273,stl_vector.h:806-806,stl_vector.h:933-933,NewTimer.h:242-242,NewTimer.h:249-249qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Outermost0.0200NANANANANANANANANANANANANA
Loop 747execMultiBsplineRef.hpp:64-71miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)InBetween0.0200NANANANANANANANANANANANANA
Loop 75execrefwrap.h:313-313,WaveFunction.cpp:198-201,stl_vector.h:806-806,stl_vector.h:933-933,NewTimer.h:242-242,NewTimer.h:249-249qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.0200NANANANANANANANANANANANANA
Loop 212execOneBodyJastrowRef.h:192-193miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.0200NANANANANANANANANANANANANA
Loop 1963execSoaDistanceTableABOMPTarget.h:214-215,SoaDistanceTableABOMPTarget.h:222-222,ParticleBConds3DSoa.h:284-286,ParticleBConds3DSoa.h:294-296qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)Outermost0.0200NANANANANANANANANANANANANA
Loop 1965execSoaDistanceTableABOMPTarget.h:215-217,SoaDistanceTableABOMPTarget.h:222-222,SoaDistanceTableABOMPTarget.h:228-228,ParticleBConds3DSoa.h:296-296qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)InBetween0.0200NANANANANANANANANANANANANA
Loop 272execshared_ptr_base.h:1308-1308,OhmmsVector.h:223-223,TwoBodyJastrowRef.h:269-274,stl_algobase.h:200-200,ParticleSet.h:313-316miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.0200NANANANANANANANANANANANANA
Loop 730execBsplineAllocator.hpp:179-180qmcplusplus::BsplineAllocator >::setCoefficientsForOrbitals(int, int, Array&, multi_UBspline_3d_d*) [clone .extracted]Innermost0.0100NANANANANANANANANANANANANA
Loop 763execOhmmsVector.h:178-178,OhmmsVector.h:248-249,SPOSet.h:83-86,inner_product.hpp:82-83,stl_vector.h:933-933qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)Outermost0.0200NANANANANANANANANANANANANA
Loop 280execshared_ptr_base.h:1308-1308,OhmmsVector.h:223-223,TwoBodyJastrowRef.h:269-274,stl_algobase.h:200-200,ParticleSet.h:313-316miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.0300NANANANANANANANANANANANANA
Loop 924execstl_algobase.h:752-754qmcplusplus::Vector > >::resize(unsigned long, double)Single0.0100NANANANANANANANANANANANANA
Loop 301execshared_ptr_base.h:1308-1308,OhmmsVector.h:223-223,TwoBodyJastrowRef.h:127-132,ParticleSet.h:313-316,stl_vector.h:1056-1056miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Innermost0.0100NANANANANANANANANANANANANA
Loop 220execOneBodyJastrowRef.h:186-187miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.0100NANANANANANANANANANANANANA
Loop 77execrefwrap.h:313-313,WaveFunction.cpp:225-228,stl_vector.h:806-806,stl_vector.h:933-933,NewTimer.h:242-242,NewTimer.h:249-249qmcplusplus::WaveFunction::acceptMove(qmcplusplus::ParticleSet&, int)Single0.0100NANANANANANANANANANANANANA
Loop 1083execParticleSet.cpp:343-344,stl_vector.h:806-806,unique_ptr.h:150-150qmcplusplus::ParticleSet::computeNewPosDistTables(int, qmcplusplus::TinyVector const&, bool)Single0.0100NANANANANANANANANANANANANA
Loop 179execstl_numeric.h:126-127,stl_iterator.h:887-887miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.0200NANANANANANANANANANANANANA
Loop 1966execSoaDistanceTableABOMPTarget.h:194-196qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)Single0.0200NANANANANANANANANANANANANA
Loop 284execOhmmsVector.h:223-223,OhmmsVector.h:229-229,OhmmsVector.h:249-249,TwoBodyJastrowRef.h:268-269,TwoBodyJastrowRef.h:364-364,TwoBodyJastrowRef.h:367-367,TwoBodyJastrowRef.h:375-376,TwoBodyJastrowRef.h:381-382,TwoBodyJastrowRef.h:386-393,TwoBodyJastrowRef.h:397-398,TwoBodyJastrowRef.h:420-420,VectorSoAContainer.h:244-244,VectorSoAContainer.h:263-263,VectorSoAContainer.h:273-273,stl_numeric.h:126-127,stl_algobase.h:752-754,stl_iterator.h:784-784,stl_iterator.h:887-887,DistanceTable.h:268-268,stl_vector.h:951-951,stl_vector.h:1056-1056miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)InBetween0.0200NANANANANANANANANANANANANA
Loop 225execOneBodyJastrowRef.h:143-146,shared_ptr_base.h:1308-1308,OhmmsVector.h:223-223,ParticleSet.h:313-316,stl_vector.h:933-933,stl_vector.h:1056-1056miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Innermost0.0100NANANANANANANANANANANANANA
Loop 744execstl_algobase.h:200-200,stl_algobase.h:366-368,einspline_spo_ref.hpp:183-187,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 >&)Single0.0100NANANANANANANANANANANANANA
Loop 861execDelayedUpdate.h:137-138miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.0100NANANANANANANANANANANANANA
Loop 864execTinyVector.h:169-169,DiracDeterminantRef.cpp:157-157,DiracDeterminantRef.cpp:173-173,DiracDeterminantRef.cpp:178-178,OperatorTags.h:94-94,inner_product.hpp:82-83,inner_product.hpp:155-155,TinyVectorOps.h:129-131miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Outermost0.0100NANANANANANANANANANANANANA
Loop 82execWaveFunction.cpp:273-274qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Innermost0.0100NANANANANANANANANANANANANA
Loop 1441execstl_tree.h:787-787,stl_tree.h:795-795,stl_tree.h:1210-1210,stl_tree.h:1894-1895,NewTimer.h:119-121std::map, double, std::less >, std::allocator const, double> > >::operator[](qmcplusplus::StackKeyParam<2> const&)Single0.0700NANANANANANANANANANANANANA
Loop 1439execNewTimer.cpp:99-100qmcplusplus::TimerType::stop()Single0.0100NANANANANANANANANANANANANA
Loop 1226execParticleBConds3DSoa.h:235-255void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer > >(qmcplusplus::TinyVector const&, qmcplusplus::VectorSoAContainer > const&, double*, qmcplusplus::VectorSoAContainer >&, int, int, int) constSingle0.0100NANANANANANANANANANANANANA
Loop 222execstl_numeric.h:126-127,stl_iterator.h:887-887miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.0100NANANANANANANANANANANANANA
Loop 58execrandom.tcc:403-406,random.tcc:413-413,random.tcc:417-420,random.tcc:455-455,random.tcc:459-463,random.tcc:3329-3332double std::uniform_real_distribution::operator() >(std::mersenne_twister_engine&)Outermost0.0100NANANANANANANANANANANANANA
Loop 1089execParticleSet.cpp:389-390,stl_vector.h:806-806,unique_ptr.h:150-150qmcplusplus::ParticleSet::acceptMove(int)Single000NANANANANANANANANANANANANA
Loop 841execOhmmsVector.h:223-223,DelayedUpdate.h:186-187,OhmmsMatrix.h:236-236qmcplusplus::DelayedUpdate::updateInvMat(qmcplusplus::Matrix >&)Single0.0100NANANANANANANANANANANANANA
Loop 749execVectorSoAContainer.h:231-231,stl_algobase.h:200-200,einspline_spo_ref.hpp:219-219,einspline_spo_ref.hpp:222-223,stl_vector.h:933-933miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)Outermost000NANANANANANANANANANANANANA
Loop 1719execOhmmsVector.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 830execDiracMatrix.h:112-113qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)Single000NANANANANANANANANANANANANA
Loop 207execOneBodyJastrowRef.h:169-169,OperatorTags.h:94-94miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single0.0100NANANANANANANANANANANANANA
Loop 29execRandomGenerator.h:51-55,StdRandom.h:97-97main.extracted.110Innermost000NANANANANANANANANANANANANA
Loop 860execDelayedUpdate.h:137-138miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single000NANANANANANANANANANANANANA
Loop 1145execOhmmsVector.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 210execOneBodyJastrowRef.h:109-113,OneBodyJastrowRef.h:166-166,OneBodyJastrowRef.h:186-188,OneBodyJastrowRef.h:192-194,OhmmsVector.h:223-223,OhmmsVector.h:249-249,TinyVector.h:169-169,VectorSoAContainer.h:273-273,stl_numeric.h:126-127,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 859execDelayedUpdate.h:147-148miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.0100NANANANANANANANANANANANANA
Loop 1437execNewTimer.cpp:53-54qmcplusplus::TimerType::start()Single000NANANANANANANANANANANANANA
Loop 1442execstl_tree.h:787-787,stl_tree.h:795-795,stl_tree.h:1210-1210,stl_tree.h:1894-1895,NewTimer.h:119-121std::map, long, std::less >, std::allocator const, long> > >::operator[](qmcplusplus::StackKeyParam<2> const&)Single0.0200NANANANANANANANANANANANANA
Loop 834execinner_product.hpp:210-212qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)InBetween000NANANANANANANANANANANANANA
Loop 766execOhmmsVector.h:56-56,OhmmsVector.h:144-144,OhmmsVector.h:210-212,OhmmsVector.h:287-287,SPOSet.h:106-111,OhmmsMatrix.h:217-217,new_allocator.h:125-125qmcplusplus::SPOSet::evaluate_notranspose(qmcplusplus::ParticleSet const&, int, int, qmcplusplus::Matrix >&, qmcplusplus::Matrix, std::allocator > >&, qmcplusplus::Matrix >&)Single000NANANANANANANANANANANANANA
Loop 847execTinyVector.h:169-169,DiracDeterminantRef.cpp:238-238,DiracDeterminantRef.cpp:247-247,DiracDeterminantRef.cpp:252-252,OperatorTags.h:94-94,inner_product.hpp:82-83,inner_product.hpp:155-155,TinyVectorOps.h:129-131miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Outermost000NANANANANANANANANANANANANA
Loop 1431execPosTransformer.h:39-46qmcplusplus::RealSpacePositionsOMPTarget::setAllParticlePos(qmcplusplus::ParticleAttrib, std::allocator > > const&)Single000NANANANANANANANANANANANANA
Loop 79execOhmmsVector.h:379-379,TinyVector.h:164-164qmcplusplus::WaveFunction::evaluateGL(qmcplusplus::ParticleSet&)Single000NANANANANANANANANANANANANA
Loop 1428execPosTransformer.h:39-46qmcplusplus::RealSpacePositions::setAllParticlePos(qmcplusplus::ParticleAttrib, std::allocator > > const&)Single000NANANANANANANANANANANANANA
Loop 282execTwoBodyJastrowRef.h:423-427,OperatorTags.h:94-94miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single000NANANANANANANANANANANANANA
Loop 764execinner_product.hpp:82-83qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)Innermost000NANANANANANANANANANANANANA
Loop 59execrandom.tcc:401-406double std::uniform_real_distribution::operator() >(std::mersenne_twister_engine&)Innermost000NANANANANANANANANANANANANA
Loop 299execshared_ptr_base.h:1308-1308,OhmmsVector.h:223-223,TwoBodyJastrowRef.h:269-274,stl_algobase.h:200-200,ParticleSet.h:313-316miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost000NANANANANANANANANANANANANA
Loop 205execOneBodyJastrowRef.h:171-172miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single000NANANANANANANANANANANANANA
Loop 975execrandom.tcc:403-406,random.tcc:413-413,random.tcc:417-420,random.tcc:455-455,random.tcc:459-463,random.tcc:3329-3332qmcplusplus::build_els(qmcplusplus::ParticleSet const&, StdRandom >&, bool)InBetween000NANANANANANANANANANANANANA
Loop 273execTwoBodyJastrowRef.h:324-324,TwoBodyJastrowRef.h:334-334,TwoBodyJastrowRef.h:341-342,TwoBodyJastrowRef.h:347-349,stl_algobase.h:752-752miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Outermost000NANANANANANANANANANANANANA
Loop 1191execOhmmsVector.h:47-47,OhmmsVector.h:287-287,stl_uninitialized.h:526-526std::vector >, std::allocator > > >::_M_default_append(unsigned long)Single0.0100NANANANANANANANANANANANANA
Loop 1198execstl_uninitialized.h:526-526,VectorSoAContainer.h:41-41std::vector >, std::allocator > > >::_M_default_append(unsigned long)Single000NANANANANANANANANANANANANA
Loop 984execOhmmsVector.h:223-223,TinyVectorTensorOps.h:150-152,ostream:564-564,OperatorTags.h:43-43,ParticleSet.h:127-127,ParticleIOUtility.h:71-90,char_traits.h:329-329,InfoStream.h:37-37void qmcplusplus::expandSuperCell(qmcplusplus::ParticleSet&, qmcplusplus::Tensor const&)Innermost000NANANANANANANANANANANANANA
Loop 872execstl_algobase.h:740-742miniqmcreference::DiracDeterminantRef >::resize(int, int)Single000NANANANANANANANANANANANANA
Loop 61execrandom.tcc:409-414double std::uniform_real_distribution::operator() >(std::mersenne_twister_engine&)Innermost000NANANANANANANANANANANANANA
Loop 976execrandom.tcc:401-406qmcplusplus::build_els(qmcplusplus::ParticleSet const&, StdRandom >&, bool)Innermost000NANANANANANANANANANANANANA
Loop 856execinner_product.hpp:82-83miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single000NANANANANANANANANANANANANA
Loop 178execstl_numeric.h:127-127,stl_iterator.h:887-887miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single000NANANANANANANANANANANANANA
Loop 295execTwoBodyJastrowRef.h:375-376miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost000NANANANANANANANANANANANANA
Loop 270execstl_numeric.h:127-127,stl_iterator.h:887-887miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.0100NANANANANANANANANANANANANA
Loop 268execTwoBodyJastrowRef.h:155-156miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single000NANANANANANANANANANANANANA
Loop 204execstl_numeric.h:126-127miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single0.0100NANANANANANANANANANANANANA
Loop 1093execParticleSet.cpp:513-514,stl_vector.h:806-806,unique_ptr.h:150-150qmcplusplus::ParticleSet::donePbyP(bool)Single000NANANANANANANANANANANANANA
Loop 297execstl_numeric.h:126-127,stl_iterator.h:887-887miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost000NANANANANANANANANANANANANA
Loop 293execTwoBodyJastrowRef.h:381-382miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost000NANANANANANANANANANANANANA
Loop 291execTwoBodyJastrowRef.h:381-382miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost000NANANANANANANANANANANANANA
Loop 289execTwoBodyJastrowRef.h:381-382miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost000NANANANANANANANANANANANANA
Loop 287execTwoBodyJastrowRef.h:388-391miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost000NANANANANANANANANANANANANA
Loop 735execrandom.tcc:403-406,random.tcc:413-413,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 52execTinyVectorTensorOps.h:77-79,NonLocalPP.hpp:110-111qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)Single000NANANANANANANANANANANANANA
Loop 728execBsplineAllocator.hpp:179-180qmcplusplus::BsplineAllocator >::setCoefficientsForOrbitals(int, int, Array&, multi_UBspline_3d_d*) [clone .extracted]Innermost000NANANANANANANANANANANANANA
Loop 858execDelayedUpdate.h:147-148miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single000NANANANANANANANANANANANANA
Loop 827execDiracMatrix.h:31-35,std_abs.h:71-71qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)Single000NANANANANANANANANANANANANA
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