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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 690libqmcwfs.soMultiBsplineRef.hpp:68-71miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)Innermost28.1826.9222.61.001.952.001.001100.0050.00227.6412.0012.006.176.0012.00
Loop 692libqmcwfs.soMultiBsplineRef.hpp:239-242,MultiBsplineRef.hpp:249-262void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Innermost32.5223.9320.091.001.946.001.11120.9315.12368.9910.5010.505.411.759.50
Loop 480libqmcparticle_omptarget.soParticleBConds3DSoa.h:280-298,SoaDistanceTableABOMPTarget.h:228-228qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)Innermost10.389.728.161.003.336.671.00112.2414.03313.3215.0015.004.502.2515.00
Loop 226libqmcparticle_omptarget.soVectorSoAContainer.h:244-244,VectorSoAContainer.h:263-263,SoaDistanceTableAAOMPTarget.h:440-442,TinyVector.h:182-182qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)Single7.617.135.981.581.008.006.33127.2715.910.006.334.006.330.791.00
Loop 441libqmcparticle_omptarget.soParticleBConds3DSoa.h:237-255void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer > >(qmcplusplus::TinyVector const&, qmcplusplus::VectorSoAContainer > const&, double*, qmcplusplus::VectorSoAContainer >&, int, int, int) const [clone .constprop.0]Single2.241.981.671.001.671.671.001100.0050.001039.3515.0015.009.009.0015.00
Loop 565libqmcwfs.soBsplineFunctor.h:236-241miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Innermost2.371.951.631.001.0012.121.4765610.0010.000.2512.5012.5012.501.038.50
Loop 691libqmcwfs.soMultiBsplineRef.hpp:276-286void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Single1.951.261.051.001.048.001.0410.0012.50103.329.339.339.001.179.00
Loop 696libqmcwfs.soTinyVector.h:145-145,einspline_spo_ref.hpp:223-227miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)Innermost1.291.080.911.001.006.408.00111.1113.890.008.008.008.001.251.00
Loop 494libqmcwfs.soTwoBodyJastrowRef.h:342-347miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Innermost0.990.810.681.001.232.001.001100.0050.00235.5416.0016.0013.038.0016.00
Loop 742libqmcwfs.soOperatorTags.h:63-63,OperatorTags.h:94-94miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.660.50.421.001.002.001.501100.0050.00126.4524.0024.0024.0012.0016.00
Loop 495libqmcwfs.sostl_vector.h:1121-1121,TwoBodyJastrowRef.h:324-331miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.590.460.391.001.318.001.0010.0012.50205.0314.0014.0010.671.7514.00
Loop 554libqmcwfs.soTwoBodyJastrow.h:155-156miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Innermost0.510.430.361.001.382.001.001100.0050.00292.0724.0024.0017.3312.0024.00
Loop 746libqmcwfs.soOperatorTags.h:63-63,OperatorTags.h:94-94miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)Single0.510.410.341.001.002.001.50 - 1.411100.0050.00153.5124.0024.0024.0012.0016.00 - 17.00
Loop 557libqmcwfs.soBsplineFunctor.h:291-298miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Innermost0.480.370.311.191.0012.631.7565610.009.380.0614.8312.5014.831.178.50
Loop 41libqmcwfs.soinner_product.hpp:82-83qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)Innermost0.450.310.261.001.382.001.001100.0050.00269.8724.0024.0017.3312.0024.00
Loop 743libqmcwfs.soinner_product.hpp:82-83miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.440.30.251.001.382.001.001100.0050.0069.9224.0024.0017.3312.0024.00
Loop 258libqmcparticle_omptarget.soParticleBConds3DSoa.h:237-255qmcplusplus::SoaDistanceTableAAOMPTarget::evaluate(qmcplusplus::ParticleSet&)Innermost0.450.280.241.001.671.671.001100.0050.00333.8815.0015.009.009.0015.00
Loop 489libqmcwfs.soBsplineFunctor.h:291-298miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool)Innermost0.350.260.221.191.0012.631.7565610.009.380.0914.8312.5014.831.178.50
Loop 711libqmcwfs.soinner_product.hpp:211-212qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)Innermost0.420.260.221.001.006.511.00133.3316.670.008.008.008.001.238.00
Loop 672libqmcwfs.soOperatorTags.h:63-63,OperatorTags.h:94-94,inner_product.hpp:155-155qmcplusplus::TinyVector qmcplusplus::simd::dot(double const*, qmcplusplus::TinyVector const*, int)Single0.190.130.111.001.002.001.50 - 1.411100.0050.00483.5024.0024.0024.0012.0016.00 - 17.00
Loop 749libqmcwfs.soOperatorTags.h:63-63,OperatorTags.h:94-94miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.140.110.091.001.002.001.501100.0050.00115.6224.0024.0024.0012.0016.00
Loop 745libqmcwfs.soinner_product.hpp:82-83miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.140.10.081.001.382.001.001100.0050.00213.1724.0024.0017.3312.0024.00
Loop 555libqmcwfs.sostl_numeric.h:140-141miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.140.090.071.001.472.001.001100.0050.00230.9124.0024.0016.3612.0024.00
Loop 43execmain._omp_fn.1InBetween0.170.090.071.731.819.672.891023.0815.220.4217.3310.009.581.796.00
Loop 566libqmcwfs.soBsplineFunctor.h:246-260miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Innermost0.140.080.071.091.432.151.291100.0048.46764.9533.5030.6723.4215.5826.00
Loop 463libqmcwfs.soTwoBodyJastrowRef.h:381-382miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.130.070.061.001.382.001.001100.0050.00176.4424.0024.0017.3312.0024.00
Loop 559libqmcwfs.soBsplineFunctor.h:305-336miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Innermost0.090.060.051.121.592.201.35199.4348.78551.8567.5060.5042.5030.7550.00
Loop 656libqmcwfs.soBsplineFunctor.h:236-241miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Innermost0.110.050.041.001.0012.121.4765610.0010.000.5612.5012.5012.501.038.50
Loop 466libqmcwfs.soBsplineFunctor.h:291-298miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.070.040.031.191.0012.631.7565610.009.380.1114.8312.5014.831.178.50
Loop 556libqmcwfs.sostl_algobase.h:238-238,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:269-271,ParticleSet.h:313-313miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Outermost0.070.030.031.211.526.132.11100001244.9019.59121.99106.5087.8369.9717.3650.50
Loop 748libqmcwfs.soinner_product.hpp:82-83miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.050.030.031.001.382.001.001100.0050.00136.3724.0024.0017.3312.0024.00
Loop 607libqmcwfs.soOneBodyJastrow.h:192-193miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Innermost0.060.030.021.001.382.001.001100.0050.00336.1824.0024.0017.3312.0024.00
Loop 491libqmcwfs.soBsplineFunctor.h:305-336miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool)Innermost0.060.030.021.121.592.201.35199.4348.78630.2267.5060.5042.5030.7550.00
Loop 564libqmcwfs.soOhmmsVector.h:221-221,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,TwoBodyJastrowRef.h:127-129,TwoBodyJastrowRef.h:132-132,ParticleSet.h:313-313,ParticleSet.h:316-316miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)InBetween0.050.030.021.072.056.181.18100001227.8816.13263.1479.1774.3338.6612.8167.00
Loop 243libqmcwfs.sostl_algobase.h:918-919qmcplusplus::Vector, std::allocator > >::resize(unsigned long, qmcplusplus::TinyVector)Single0.040.020.022.001.005.338.00150.0018.750.008.004.008.001.501.00
Loop 620libqmcwfs.soOneBodyJastrow.h:193-193miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.030.020.011.001.382.001.001100.0050.00102.6024.0024.0017.3312.0024.00
Loop 461libqmcwfs.soTwoBodyJastrowRef.h:397-398miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.040.020.011.001.022.002.081100.0050.00634.098.338.338.174.174.00
Loop 693libqmcwfs.soMultiBsplineRef.hpp:227-229,MultiBsplineRef.hpp:234-239void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)InBetween0.040.020.011.562.388.001.5610.0012.50203.884.673.001.960.583.00
Loop 74execmain._omp_fn.1Innermost0.040.020.017.111.0014.3710.67230.9514.964.1310.671.5010.670.741.00
Loop 563libqmcwfs.sooptional:993-993,OhmmsVector.h:223-223,OhmmsVector.h:249-249,stl_vector.h:988-988,stl_vector.h:1124-1124,refwrap.h:347-347,BsplineFunctor.h:231-231,BsplineFunctor.h:256-258,TwoBodyJastrowRef.h:107-108,TwoBodyJastrowRef.h:125-127miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Outermost0.040.010.012.671.9010.195.33100001212.5014.3930.6510.674.005.631.052.00
Loop 488libqmcwfs.sostl_algobase.h:238-238,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:269-271,ParticleSet.h:313-313miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool)Outermost0.040.010.011.211.536.142.11100001245.0019.60182.01106.5087.8369.8117.3550.50
Loop 687libqmcwfs.sostl_algobase.h:930-931,stl_vector.h:1256-1256,MultiBsplineEvalHelper.hpp:53-53,MultiBsplineEvalHelper.hpp:60-63,MultiBsplineRef.hpp:42-44,MultiBsplineRef.hpp:47-49,MultiBsplineRef.hpp:56-58,MultiBsplineRef.hpp:67-68,MultiBsplineData.hpp:54-57,einspline_spo_ref.hpp:175-176miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)Outermost0.040.010.011.241.958.811.6086411.5914.6336.5533.5027.0017.163.8021.00
Loop 299libqmcparticle.soParticleSet.cpp:242-243,stl_vector.h:988-988,unique_ptr.h:199-199qmcplusplus::ParticleSet::update(bool)Single0.040.010.011.00NANA2.001NANA0.002.002.00NANA1.00
Loop 462libqmcwfs.soTwoBodyJastrowRef.h:388-391miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.030.010.011.001.022.001.171100.0050.00841.437.007.006.833.506.00
Loop 608libqmcwfs.soOneBodyJastrow.h:186-187miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.030.010.011.001.382.001.001100.0050.00503.4224.0024.0017.3312.0024.00
Loop 653libqmcwfs.soOhmmsVector.h:229-229,OhmmsVector.h:249-249,stl_vector.h:988-988,stl_vector.h:1121-1121,stl_vector.h:1124-1124,OneBodyJastrowRef.h:134-135,OneBodyJastrowRef.h:140-141,OneBodyJastrowRef.h:151-151,OneBodyJastrowRef.h:154-155,BsplineFunctor.h:164-173,BsplineFunctor.h:179-182,BsplineFunctor.h:256-258miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Outermost0.030.010.011.721.9810.231.7210000126.0613.451.6522.3313.0011.292.1813.00
Loop 478libqmcparticle_omptarget.soParticleBConds3DSoa.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&)InBetween0.030.010.011.121.008.954.8320.0011.21359.664.834.334.830.541.00
Loop 40libqmcwfs.soOhmmsVector.h:178-178,OhmmsVector.h:248-249,SPOSet.h:83-88,inner_product.hpp:82-83qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)Outermost0.030.010.011.832.264.952.056463.4629.5759.0019.5010.678.653.949.50
Loop 604libqmcwfs.soOneBodyJastrowRef.h:214-216miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)Innermost0.040.010.011.001.008.001.0010.0012.500.101.001.001.000.131.00
Loop 465libqmcwfs.sostl_numeric.h:140-141miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.020.010NANANANANANANA208.81NANANANANA
Loop 404libqmcparticle_omptarget.sostl_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)Single0.020.010NANANANANANANA0.00NANANANANA
Loop 655libqmcwfs.soOhmmsVector.h:223-223,stl_vector.h:1140-1140,stl_vector.h:1143-1143,OneBodyJastrowRef.h:143-146,BsplineFunctor.h:231-232,BsplineFunctor.h:236-241,BsplineFunctor.h:244-252,BsplineFunctor.h:256-260,shared_ptr_base.h:1666-1666,ParticleSet.h:313-313,ParticleSet.h:316-316miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)InBetween0.020.010NANANANANANANA6.85NANANANANA
Loop 42execmain._omp_fn.1InBetween0.020.010NANANANANANANA0.00NANANANANA
Loop 695libqmcwfs.sostl_algobase.h:238-238,VectorSoAContainer.h:231-231,VectorSoAContainer.h:271-271,OhmmsVector.h:223-223,stl_vector.h:1124-1124,TinyVector.h:145-145,einspline_spo_ref.hpp:219-219,einspline_spo_ref.hpp:223-227miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)Outermost0.020.010NANANANANANANA0.05NANANANANA
Loop 205libqmcwfs.sostl_vector.h:988-988,refwrap.h:347-347,NewTimer.h:242-242,NewTimer.h:249-249,WaveFunction.cpp:198-201qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.0200NANANANANANANANANANANANANA
Loop 257libqmcparticle_omptarget.soParticleBConds3DSoa.h:222-224,ParticleBConds3DSoa.h:234-234,ParticleBConds3DSoa.h:237-243,ParticleBConds3DSoa.h:246-248,ParticleBConds3DSoa.h:251-255,VectorSoAContainer.h:271-273,OhmmsVector.h:223-223,OhmmsVector.h:248-248,stl_vector.h:1124-1124,unique_ptr.h:199-199,SoaDistanceTableAAOMPTarget.h:184-187qmcplusplus::SoaDistanceTableAAOMPTarget::evaluate(qmcplusplus::ParticleSet&)Outermost0.0200NANANANANANANANANANANANANA
Loop 606libqmcwfs.sostl_numeric.h:140-141miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.0300NANANANANANANANANANANANANA
Loop 204libqmcwfs.sostl_vector.h:988-988,refwrap.h:347-347,NewTimer.h:242-242,NewTimer.h:249-249,OperatorTags.h:94-94,WaveFunction.cpp:185-188qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)Single0.0300NANANANANANANANANANANANANA
Loop 697libqmcwfs.soVectorSoAContainer.h:265-265,stl_vector.h:1256-1256,einspline_spo_ref.hpp:206-207miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)Single0.0200NANANANANANANANANANANANANA
Loop 694libqmcwfs.soMultiBsplineRef.hpp:226-226,MultiBsplineRef.hpp:234-236void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Outermost0.0200NANANANANANANANANANANANANA
Loop 464libqmcwfs.soTwoBodyJastrowRef.h:375-376miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.0200NANANANANANANANANANANANANA
Loop 210libqmcwfs.sostl_vector.h:987-988,stl_vector.h:1124-1124,refwrap.h:347-347,NewTimer.h:242-242,NewTimer.h:249-249,WaveFunction.cpp:266-266,WaveFunction.cpp:269-269,WaveFunction.cpp:272-274qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Outermost0.0200NANANANANANANANANANANANANA
Loop 688libqmcwfs.soMultiBsplineRef.hpp:64-71miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)InBetween0.0200NANANANANANANANANANANANANA
Loop 362libqmcwfs.soBsplineFunctor.h:291-298qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constSingle0.0100NANANANANANANANANANANANANA
Loop 603libqmcwfs.soOhmmsVector.h:223-223,OneBodyJastrowRef.h:214-214,OneBodyJastrowRef.h:218-218,shared_ptr_base.h:1666-1666miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)Outermost0.0100NANANANANANANANANANANANANA
Loop 689libqmcwfs.soMultiBsplineRef.hpp:63-66miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)InBetween0.0200NANANANANANANANANANANANANA
Loop 741libqmcwfs.soDiracDeterminantRef.cpp:173-173,DiracDeterminantRef.cpp:178-178,TinyVectorOps.h:129-131,OhmmsVector.h:248-248,OperatorTags.h:63-63,OperatorTags.h:94-94,TinyVector.h:62-62,OhmmsMatrix.h:217-217,inner_product.hpp:82-83,inner_product.hpp:149-149,inner_product.hpp:155-156miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Outermost0.0100NANANANANANANANANANANANANA
Loop 468libqmcwfs.soBsplineFunctor.h:305-336miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.0100NANANANANANANANANANANANANA
Loop 302libqmcparticle.soParticleSet.cpp:389-390,stl_vector.h:988-988,unique_ptr.h:199-199qmcplusplus::ParticleSet::acceptMove(int)Single0.0200NANANANANANANANANANANANANA
Loop 558libqmcwfs.soBsplineFunctor.h:305-336miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Innermost0.0100NANANANANANANANANANANANANA
Loop 301libqmcparticle.soParticleSet.cpp:343-344,stl_vector.h:988-988,unique_ptr.h:199-199qmcplusplus::ParticleSet::computeNewPosDistTables(int, qmcplusplus::TinyVector const&, bool)Single0.0200NANANANANANANANANANANANANA
Loop 490libqmcwfs.soBsplineFunctor.h:305-336miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool)Innermost0.0200NANANANANANANANANANANANANA
Loop 457libqmcwfs.sostl_algobase.h:931-931,stl_iterator.h:1111-1111,VectorSoAContainer.h:244-244,VectorSoAContainer.h:273-273,OhmmsVector.h:223-223,OhmmsVector.h:249-249,BsplineFunctor.h:315-315,BsplineFunctor.h:336-336,TwoBodyJastrowRef.h:268-269,TwoBodyJastrowRef.h:364-364,TwoBodyJastrowRef.h:367-369,TwoBodyJastrowRef.h:375-377,TwoBodyJastrowRef.h:386-393,stl_numeric.h:140-141,TinyVector.h:62-62miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)InBetween0.0100NANANANANANANANANANANANANA
Loop 553libqmcwfs.soVectorSoAContainer.h:273-273,TwoBodyJastrow.h:150-150,TwoBodyJastrow.h:153-157miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Outermost0.0100NANANANANANANANANANANANANA
Loop 686libqmcwfs.sostl_algobase.h:238-238,stl_algobase.h:398-398,stl_algobase.h:436-437,stl_vector.h:1256-1256,stl_algo.h:731-731,stl_algo.h:757-757,einspline_spo_ref.hpp:183-187miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)Single0.0100NANANANANANANANANANANANANA
Loop 48libqmcwfs.soBsplineAllocator.hpp:179-180qmcplusplus::BsplineAllocator >::setCoefficientsForOrbitals(int, int, Array&, multi_UBspline_3d_d*) [clone ._omp_fn.0] [clone .lto_priv.0]Innermost000NANANANANANANANANANANANANA
Loop 39libqmcutil.sostl_tree.h:790-790,stl_tree.h:1951-1953,NewTimer.h:119-119qmcplusplus::TimerType::stop()Single0.0900NANANANANANANANANANANANANA
Loop 207libqmcwfs.sostl_vector.h:988-988,refwrap.h:347-347,NewTimer.h:242-242,NewTimer.h:249-249,WaveFunction.cpp:225-228qmcplusplus::WaveFunction::acceptMove(qmcplusplus::ParticleSet&, int)Single0.0100NANANANANANANANANANANANANA
Loop 363libqmcwfs.soBsplineFunctor.h:305-336qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constSingle0.0100NANANANANANANANANANANANANA
Loop 617libqmcwfs.sostl_numeric.h:141-141miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.0100NANANANANANANANANANANANANA
Loop 83execmain._omp_fn.1InBetween0.0100NANANANANANANANANANANANANA
Loop 492libqmcwfs.soVectorSoAContainer.h:273-273,TwoBodyJastrowRef.h:320-320,TwoBodyJastrowRef.h:334-334,TwoBodyJastrowRef.h:341-349,TwoBodyJastrowRef.h:355-355miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Outermost0.0100NANANANANANANANANANANANANA
Loop 227libqmcparticle_omptarget.sostl_algobase.h:437-437,VectorSoAContainer.h:271-271,stl_vector.h:1124-1124,SoaDistanceTableAAOMPTarget.h:437-437qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)Single000NANANANANANANANANANANANANA
Loop 605libqmcwfs.soVectorSoAContainer.h:273-273,OneBodyJastrow.h:188-188,OneBodyJastrow.h:191-194miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Outermost0.0100NANANANANANANANANANANANANA
Loop 479libqmcparticle_omptarget.soSoaDistanceTableABOMPTarget.h:214-214,SoaDistanceTableABOMPTarget.h:222-225qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)Outermost0.0100NANANANANANANANANANANANANA
Loop 621libqmcwfs.soOneBodyJastrow.h:187-187miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost000NANANANANANANANANANANANANA
Loop 698libqmcwfs.soOhmmsVector.h:223-223,DelayedUpdate.h:186-187,OhmmsMatrix.h:236-236qmcplusplus::DelayedUpdate::updateInvMat(qmcplusplus::Matrix >&)Single000NANANANANANANANANANANANANA
Loop 460libqmcwfs.soTwoBodyJastrowRef.h:361-361,TwoBodyJastrowRef.h:388-388,TwoBodyJastrowRef.h:393-393,TwoBodyJastrowRef.h:397-398miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)InBetween000NANANANANANANANANANANANANA
Loop 456libqmcwfs.soTwoBodyJastrowRef.h:377-377,TwoBodyJastrowRef.h:380-383miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)InBetween000NANANANANANANANANANANANANA
Loop 707libqmcwfs.soDiracMatrix.h:112-113qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)Single000NANANANANANANANANANANANANA
Loop 38libqmcutil.sostl_tree.h:790-790,stl_tree.h:1951-1953,NewTimer.h:119-119qmcplusplus::TimerType::stop()Single0.0200NANANANANANANANANANANANANA
Loop 455libqmcwfs.sostl_algobase.h:238-238,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:269-271,ParticleSet.h:313-313miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)InBetween0.0100NANANANANANANANANANANANANA
Loop 747libqmcwfs.soDiracDeterminantRef.cpp:247-247,DiracDeterminantRef.cpp:252-252,TinyVectorOps.h:129-131,OhmmsVector.h:248-248,OperatorTags.h:63-63,OperatorTags.h:94-94,TinyVector.h:62-62,OhmmsMatrix.h:217-217,inner_product.hpp:82-83,inner_product.hpp:155-156miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Outermost000NANANANANANANANANANANANANA
Loop 467libqmcwfs.soBsplineFunctor.h:305-336miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost000NANANANANANANANANANANANANA
Loop 628libqmcwfs.soOneBodyJastrowRef.h:169-169,OperatorTags.h:94-94miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single000NANANANANANANANANANANANANA
Loop 450libqmcwfs.soTwoBodyJastrowRef.h:423-423,OperatorTags.h:94-94miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single0.0100NANANANANANANANANANANANANA
Loop 84execmain._omp_fn.1Innermost000NANANANANANANANANANANANANA
Loop 349libqmcparticle.soVirtualParticleSet.cpp:120-120,OhmmsVector.h:178-178,OperatorTags.h:43-43qmcplusplus::VirtualParticleSet::makeMoves(qmcplusplus::ParticleSet const&, int, std::vector, std::allocator > > const&, bool, int)Single000NANANANANANANANANANANANANA
Loop 203libqmcwfs.soOhmmsVector.h:379-379,TinyVector.h:164-164qmcplusplus::WaveFunction::evaluateLog(qmcplusplus::ParticleSet&)Single000NANANANANANANANANANANANANA
Loop 209libqmcwfs.soOhmmsVector.h:379-379,TinyVector.h:164-164qmcplusplus::WaveFunction::evaluateGL(qmcplusplus::ParticleSet&)Single000NANANANANANANANANANANANANA
Loop 615libqmcwfs.soOperatorTags.h:94-94miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Single000NANANANANANANANANANANANANA
Loop 86execmain._omp_fn.1Innermost000NANANANANANANANANANANANANA
Loop 449libqmcwfs.soTwoBodyJastrowRef.h:423-425miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single000NANANANANANANANANANANANANA
Loop 44execmain._omp_fn.1Innermost000NANANANANANANANANANANANANA
Loop 619libqmcwfs.sostl_algobase.h:931-931,stl_algobase.h:1123-1123,stl_algobase.h:1128-1128,stl_iterator.h:1077-1077,stl_iterator.h:1111-1111,stl_iterator.h:1148-1148,VectorSoAContainer.h:273-273,OhmmsVector.h:223-223,OhmmsVector.h:229-229,OhmmsVector.h:249-249,stl_vector.h:1124-1124,stl_vector.h:1143-1143,stl_vector.h:1256-1256,OneBodyJastrowRef.h:109-109,OneBodyJastrowRef.h:112-113,OneBodyJastrowRef.h:122-122,OneBodyJastrowRef.h:207-207,OneBodyJastrowRef.h:231-231,OneBodyJastrowRef.h:234-237,BsplineFunctor.h:188-191,stl_numeric.h:140-141,OneBodyJastrow.h:184-187,OneBodyJastrow.h:191-191miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Outermost000NANANANANANANANANANANANANA
Loop 444libqmcwfs.soTwoBodyJastrowRef.h:423-423,OperatorTags.h:94-94miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single000NANANANANANANANANANANANANA
Loop 47libqmcwfs.sostl_vector.h:1124-1124,BsplineAllocator.hpp:171-171,BsplineAllocator.hpp:174-174,BsplineAllocator.hpp:179-180,OhmmsArray.h:156-156qmcplusplus::BsplineAllocator >::setCoefficientsForOrbitals(int, int, Array&, multi_UBspline_3d_d*) [clone ._omp_fn.0] [clone .lto_priv.0]Outermost000NANANANANANANANANANANANANA
Loop 90execmain._omp_fn.1InBetween000NANANANANANANANANANANANANA
Loop 43libqmcwfs.soOhmmsVector.h:56-56,OhmmsVector.h:144-144,OhmmsVector.h:210-210,new_allocator.h:168-168,SPOSet.h:106-111,OhmmsMatrix.h:217-217qmcplusplus::SPOSet::evaluate_notranspose(qmcplusplus::ParticleSet const&, int, int, qmcplusplus::Matrix >&, qmcplusplus::Matrix, std::allocator > >&, qmcplusplus::Matrix >&)Single000NANANANANANANANANANANANANA
Loop 80execmain._omp_fn.1Innermost000NANANANANANANANANANANANANA
Loop 403libqmcparticle.soTinyVectorTensorOps.h:150-152,ParticleIOUtility.h:71-90,ostream:667-667,OhmmsVector.h:223-223,char_traits.h:409-409,CrystalLattice.h:147-147,OperatorTags.h:43-43,OperatorTags.h:63-63,ParticleSet.h:127-127qmcplusplus::tile_cell(std::unique_ptr >&, qmcplusplus::Tensor const&, bool) [clone .constprop.0]Innermost000NANANANANANANANANANANANANA
Loop 316libqmcparticle_omptarget.soVectorSoAContainer.h:150-150,stl_construct.h:162-162,Mallocator.hpp:78-78qmcplusplus::DistanceTableAB::~DistanceTableAB()Single000NANANANANANANANANANANANANA
Loop 117libqmcparticle_omptarget.soVectorSoAContainer.h:150-150,stl_construct.h:162-162,Mallocator.hpp:78-78qmcplusplus::DistanceTableAA::~DistanceTableAA()Single000NANANANANANANANANANANANANA
Loop 91execmain._omp_fn.1Innermost000NANANANANANANANANANANANANA
Loop 624libqmcwfs.soOhmmsVector.h:223-223,OneBodyJastrowRef.h:214-218,shared_ptr_base.h:1666-1666miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost000NANANANANANANANANANANANANA
Loop 618libqmcwfs.soVectorSoAContainer.h:273-273,OneBodyJastrow.h:188-188,OneBodyJastrow.h:191-194miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)InBetween000NANANANANANANANANANANANANA
Loop 627libqmcwfs.soOneBodyJastrowRef.h:171-172miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single000NANANANANANANANANANANANANA
Loop 443libqmcwfs.soTwoBodyJastrowRef.h:423-423,OperatorTags.h:94-94miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single000NANANANANANANANANANANANANA
Loop 219libqmcparticle.soPosTransformer.h:43-45qmcplusplus::RealSpacePositionsOMPTarget::setAllParticlePos(qmcplusplus::ParticleAttrib, std::allocator > > const&)Single000NANANANANANANANANANANANANA
Loop 87execmain._omp_fn.1Innermost000NANANANANANANANANANANANANA
Loop 79execmain._omp_fn.1Innermost000NANANANANANANANANANANANANA
Loop 756libqmcwfs.soStdRandom.h:102-103,random.tcc:406-409,random.tcc:414-417,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) [clone .constprop.0]InBetween000NANANANANANANANANANANANANA
Loop 445libqmcwfs.soTwoBodyJastrowRef.h:423-427miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single000NANANANANANANANANANANANANA
Loop 226libqmcparticle.sorandom.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 705libqmcwfs.sostd_abs.h:72-72,DiracMatrix.h:31-35qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)Single000NANANANANANANANANANANANANA
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