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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 676libqmcwfs.soMultiBsplineRef.hpp:68-71miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)Innermost21.6320.9124.221.001.952.001.001100.0050.00293.0812.0012.006.176.0012.00
Loop 678libqmcwfs.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)Innermost22.7417.7920.61.001.315.261.25127.6617.55496.0611.8311.839.002.259.50
Loop 440libqmcparticle_omptarget.soParticleBConds3DSoa.h:280-298,SoaDistanceTableABOMPTarget.h:228-228qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)Innermost10.149.8311.381.002.656.671.00112.2414.03314.7615.0015.005.672.2515.00
Loop 184libqmcparticle_omptarget.soVectorSoAContainer.h:244-244,VectorSoAContainer.h:263-263,TinyVector.h:182-182,SoaDistanceTableAAOMPTarget.h:440-442qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)Single4.54.184.841.581.008.006.33127.2715.910.006.334.006.330.791.00
Loop 479libqmcparticle_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]Single1.831.591.841.001.671.671.00173.1339.931295.0815.0015.009.009.0015.00
Loop 558libqmcwfs.soBsplineFunctor.h:236-241miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Innermost1.631.361.571.001.0012.121.4765610.0010.000.3812.5012.5012.501.038.50
Loop 677libqmcwfs.soMultiBsplineRef.hpp:276-286void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Single1.280.951.111.001.048.001.0410.0012.50141.039.339.339.001.179.00
Loop 682libqmcwfs.soeinspline_spo_ref.hpp:223-227,TinyVector.h:145-145miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)Innermost0.90.740.861.001.006.408.00111.1113.890.008.008.008.001.251.00
Loop 489libqmcwfs.soTwoBodyJastrowRef.h:344-347miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Innermost0.650.480.561.001.232.001.001100.0050.00394.3016.0016.0013.038.0016.00
Loop 548libqmcwfs.soTwoBodyJastrow.h:155-156miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Innermost0.440.360.421.001.232.001.001100.0050.00349.5532.0032.0026.1116.0032.00
Loop 727libqmcwfs.soOperatorTags.h:63-63,OperatorTags.h:94-94miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.40.330.381.001.002.801.751100.0044.74191.7614.0014.0014.005.008.00
Loop 731libqmcwfs.soOperatorTags.h:63-63,OperatorTags.h:94-94miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)Single0.50.330.381.001.002.801.75 - 1.561100.0044.87193.1014.0014.0014.005.008.00 - 9.00
Loop 41libqmcwfs.soinner_product.hpp:82-83qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)Innermost0.390.30.351.001.232.001.001100.0050.00280.7632.0032.0026.1116.0032.00
Loop 490libqmcwfs.sostl_vector.h:1121-1121,TwoBodyJastrowRef.h:324-331miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.40.290.341.001.318.001.0010.0012.50315.6214.0014.0010.671.7514.00
Loop 551libqmcwfs.soBsplineFunctor.h:291-298miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Innermost0.330.250.291.201.0012.661.7665610.009.380.1915.0012.5015.001.188.50
Loop 695libqmcwfs.soinner_product.hpp:211-212qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)Innermost0.210.20.231.001.008.001.0010.0012.500.008.008.008.001.008.00
Loop 485libqmcwfs.soBsplineFunctor.h:291-298miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool)Innermost0.250.170.191.191.0012.631.7565610.009.380.3214.8312.5014.831.178.50
Loop 728libqmcwfs.soinner_product.hpp:82-83miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.220.170.191.001.232.001.001100.0050.00123.9332.0032.0026.1116.0032.00
Loop 261libqmcparticle_omptarget.soParticleBConds3DSoa.h:237-255qmcplusplus::SoaDistanceTableAAOMPTarget::evaluate(qmcplusplus::ParticleSet&)Innermost0.230.140.161.001.671.671.00173.1339.93630.8815.0015.009.009.0015.00
Loop 658libqmcwfs.soinner_product.hpp:155-155,OperatorTags.h:63-63,OperatorTags.h:94-94qmcplusplus::TinyVector qmcplusplus::simd::dot(double const*, qmcplusplus::TinyVector const*, int)Single0.180.110.131.001.002.801.751100.0044.87576.3514.0014.0014.005.008.00
Loop 559libqmcwfs.soBsplineFunctor.h:249-260miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Innermost0.130.080.091.001.322.061.391100.0048.80782.9236.1736.1727.4217.5826.00
Loop 730libqmcwfs.soinner_product.hpp:82-83miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.120.070.081.001.232.001.001100.0050.00299.5532.0032.0026.1116.0032.00
Loop 462libqmcwfs.soTwoBodyJastrowRef.h:381-382miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.110.070.081.001.232.001.001100.0050.00177.3332.0032.0026.1116.0032.00
Loop 44execmain._omp_fn.1InBetween0.120.060.071.701.799.712.831023.0815.220.9617.0010.009.501.756.00
Loop 734libqmcwfs.soOperatorTags.h:63-63,OperatorTags.h:94-94miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.090.060.071.001.002.801.751100.0044.74210.8214.0014.0014.005.008.00
Loop 549libqmcwfs.sostl_numeric.h:140-141miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.110.060.071.001.472.001.001100.0050.00350.4724.0024.0016.3612.0024.00
Loop 552libqmcwfs.soBsplineFunctor.h:305-336miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Innermost0.120.060.071.001.393.391.09152.3826.79634.3112.5012.509.003.6911.50
Loop 465libqmcwfs.soBsplineFunctor.h:291-298miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.070.040.041.191.0012.631.7565610.009.380.4514.8312.5014.831.178.50
Loop 642libqmcwfs.soBsplineFunctor.h:236-241miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Innermost0.050.030.031.001.0012.121.4765610.0010.000.9512.5012.5012.501.038.50
Loop 486libqmcwfs.soBsplineFunctor.h:305-336miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool)Innermost0.060.030.031.001.393.391.09152.3826.79677.6212.5012.509.003.6911.50
Loop 557libqmcwfs.soParticleSet.h:313-313,ParticleSet.h:316-316,stl_vector.h:1143-1143,TwoBodyJastrowRef.h:127-129,TwoBodyJastrowRef.h:132-132,OhmmsVector.h:221-221,BsplineFunctor.h:232-232,BsplineFunctor.h:236-241,BsplineFunctor.h:244-252,BsplineFunctor.h:256-260miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)InBetween0.070.030.031.051.795.871.20100001233.3317.95226.2980.3376.3344.8113.6967.00
Loop 599libqmcwfs.soOneBodyJastrow.h:192-193miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Innermost0.060.020.031.001.232.001.001100.0050.00503.5732.0032.0026.1116.0032.00
Loop 550libqmcwfs.sostl_algobase.h:238-238,ParticleSet.h:313-313,stl_vector.h:1143-1143,TwoBodyJastrowRef.h:269-271,BsplineFunctor.h:276-276,BsplineFunctor.h:283-284,BsplineFunctor.h:291-298,BsplineFunctor.h:336-336miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Outermost0.050.020.021.071.076.442.23100001213.0014.1316.9029.0027.0027.004.5013.00
Loop 244libqmcwfs.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 733libqmcwfs.soinner_product.hpp:82-83miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.040.020.021.001.232.001.001100.0050.00209.9132.0032.0026.1116.0032.00
Loop 673libqmcwfs.soeinspline_spo_ref.hpp:175-176,stl_algobase.h:930-931,MultiBsplineData.hpp:54-57,MultiBsplineEvalHelper.hpp:53-53,MultiBsplineEvalHelper.hpp:60-63,stl_vector.h:1256-1256,MultiBsplineRef.hpp:42-44,MultiBsplineRef.hpp:47-49,MultiBsplineRef.hpp:56-58,MultiBsplineRef.hpp:67-68miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)Outermost0.040.020.021.231.928.741.5886411.7614.6626.1533.1727.0017.273.7921.00
Loop 460libqmcwfs.soTwoBodyJastrowRef.h:397-398miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.050.020.021.001.022.002.081100.0050.00624.348.338.338.174.174.00
Loop 461libqmcwfs.soTwoBodyJastrowRef.h:388-391miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.030.010.011.001.022.001.171100.0050.00846.137.007.006.833.506.00
Loop 612libqmcwfs.soOneBodyJastrow.h:193-193miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.020.010.011.001.232.001.001100.0050.00205.6132.0032.0026.1116.0032.00
Loop 75execmain._omp_fn.1Innermost0.040.010.017.111.0014.3710.67230.9514.964.3510.671.5010.670.741.00
Loop 679libqmcwfs.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)InBetween0.040.010.011.612.118.001.6110.0012.50408.264.833.002.290.603.00
Loop 438libqmcparticle_omptarget.soParticleBConds3DSoa.h:284-286,ParticleBConds3DSoa.h:294-296,OMPTargetMath.hpp:38-38,SoaDistanceTableABOMPTarget.h:215-215,SoaDistanceTableABOMPTarget.h:218-218,SoaDistanceTableABOMPTarget.h:222-222,SoaDistanceTableABOMPTarget.h:228-228qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)InBetween0.030.010.011.131.008.425.0027.5312.03481.315.004.425.000.591.00
Loop 556libqmcwfs.sooptional:993-993,stl_vector.h:988-988,stl_vector.h:1124-1124,TwoBodyJastrowRef.h:107-108,TwoBodyJastrowRef.h:125-127,OhmmsVector.h:223-223,OhmmsVector.h:249-249,refwrap.h:347-347,BsplineFunctor.h:231-231,BsplineFunctor.h:257-257miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Outermost0.030.010.012.642.0913.164.8310000129.0912.8629.709.673.674.630.732.00
Loop 680libqmcwfs.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)Outermost0.040.010.012.631.0012.147.0010.0011.72105.253.501.333.500.290.50
Loop 295libqmcparticle.sostl_vector.h:988-988,unique_ptr.h:199-199,ParticleSet.cpp:242-243qmcplusplus::ParticleSet::update(bool)Single0.030.010.011.00NANA2.001NANA0.002.002.00NANA1.00
Loop 596libqmcwfs.soOneBodyJastrowRef.h:214-218,OhmmsVector.h:223-223,shared_ptr_base.h:1666-1666miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)Single0.030.010.011.001.008.002.4220.0012.500.852.422.422.420.301.00
Loop 600libqmcwfs.soOneBodyJastrow.h:186-187miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.030.010.011.001.382.001.001100.0050.00499.6124.0024.0017.3312.0024.00
Loop 484libqmcwfs.sostl_algobase.h:238-238,ParticleSet.h:313-313,stl_vector.h:1143-1143,TwoBodyJastrowRef.h:269-271,OhmmsVector.h:221-221,BsplineFunctor.h:276-276,BsplineFunctor.h:283-284,BsplineFunctor.h:291-298,BsplineFunctor.h:336-336miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool)Outermost0.040.010.011.061.066.372.21100001211.9313.4718.2028.6727.0027.004.5013.00
Loop 639libqmcwfs.soOneBodyJastrowRef.h:134-135,OneBodyJastrowRef.h:140-141,OneBodyJastrowRef.h:151-151,OneBodyJastrowRef.h:154-155,stl_vector.h:988-988,stl_vector.h:1121-1121,stl_vector.h:1124-1124,OhmmsVector.h:229-229,OhmmsVector.h:249-249,BsplineFunctor.h:164-173,BsplineFunctor.h:179-182,BsplineFunctor.h:256-257miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Outermost0.020.010.011.681.9810.191.6810000126.3513.692.6521.8313.0011.042.1413.00
Loop 674libqmcwfs.soMultiBsplineRef.hpp:64-71miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)InBetween0.030.010.011.161.674.211.161546.7723.31283.4623.1720.0013.885.5020.00
Loop 211libqmcwfs.soNewTimer.h:242-242,NewTimer.h:249-249,stl_vector.h:987-988,stl_vector.h:1124-1124,refwrap.h:347-347,WaveFunction.cpp:266-266,WaveFunction.cpp:269-269,WaveFunction.cpp:272-274qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Outermost0.0200.011.781.906.952.089630.9522.54NA31.1717.5016.414.4915.00
Loop 40libqmcwfs.soinner_product.hpp:82-83,SPOSet.h:83-88,OhmmsVector.h:178-178,OhmmsVector.h:248-249qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)Outermost0.0200.011.912.276.632.316458.7026.90NA18.509.678.142.798.00
Loop 463libqmcwfs.soTwoBodyJastrowRef.h:375-376miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.0200.011.001.382.001.001100.0050.00NA24.0024.0017.3312.0024.00
Loop 681libqmcwfs.soeinspline_spo_ref.hpp:219-219,einspline_spo_ref.hpp:223-227,stl_algobase.h:238-238,VectorSoAContainer.h:231-231,VectorSoAContainer.h:271-271,stl_vector.h:1124-1124,TinyVector.h:145-145,OhmmsVector.h:223-223miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)Outermost0.0200.012.071.0010.464.83813.5113.68NA14.507.0014.501.393.00
Loop 43execmain._omp_fn.1InBetween0.0300.011.001.0012.143.83100.0011.72NA3.833.833.830.321.00
Loop 675libqmcwfs.soMultiBsplineRef.hpp:63-63,MultiBsplineRef.hpp:66-66miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)InBetween0.0200NANANANANANANANANANANANANA
Loop 464libqmcwfs.sostl_numeric.h:140-141miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.0300NANANANANANANANANANANANANA
Loop 290libqmcparticle_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)Single0.0200NANANANANANANANANANANANANA
Loop 205libqmcwfs.soNewTimer.h:242-242,NewTimer.h:249-249,stl_vector.h:988-988,refwrap.h:347-347,OperatorTags.h:94-94,WaveFunction.cpp:185-188qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)Single0.0200NANANANANANANANANANANANANA
Loop 466libqmcwfs.soBsplineFunctor.h:305-336miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.0200NANANANANANANANANANANANANA
Loop 683libqmcwfs.soeinspline_spo_ref.hpp:206-207,VectorSoAContainer.h:265-265,stl_vector.h:1256-1256miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)Single0.0200NANANANANANANANANANANANANA
Loop 641libqmcwfs.soOneBodyJastrowRef.h:143-146,ParticleSet.h:313-313,ParticleSet.h:316-316,stl_vector.h:1143-1143,OhmmsVector.h:223-223,shared_ptr_base.h:1666-1666,BsplineFunctor.h:231-232,BsplineFunctor.h:236-241,BsplineFunctor.h:244-252,BsplineFunctor.h:256-260miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)InBetween0.0200NANANANANANANANANANANANANA
Loop 206libqmcwfs.soNewTimer.h:242-242,NewTimer.h:249-249,stl_vector.h:988-988,refwrap.h:347-347,WaveFunction.cpp:198-201qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.0200NANANANANANANANANANANANANA
Loop 330libqmcwfs.soBsplineFunctor.h:291-298qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constSingle0.0100NANANANANANANANANANANANANA
Loop 672libqmcwfs.soeinspline_spo_ref.hpp:183-187,stl_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:757-757miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)Single0.0300NANANANANANANANANANANANANA
Loop 598libqmcwfs.sostl_numeric.h:140-141miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.0100NANANANANANANANANANANANANA
Loop 487libqmcwfs.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 726libqmcwfs.soinner_product.hpp:82-83,inner_product.hpp:149-149,inner_product.hpp:155-156,OhmmsMatrix.h:217-217,TinyVector.h:62-62,OhmmsVector.h:248-248,OperatorTags.h:63-63,OperatorTags.h:94-94,DiracDeterminantRef.cpp:173-173,DiracDeterminantRef.cpp:178-178,TinyVectorOps.h:129-131miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Outermost0.0100NANANANANANANANANANANANANA
Loop 297libqmcparticle.sostl_vector.h:988-988,unique_ptr.h:199-199,ParticleSet.cpp:343-344qmcplusplus::ParticleSet::computeNewPosDistTables(int, qmcplusplus::TinyVector const&, bool)Single0.0100NANANANANANANANANANANANANA
Loop 456libqmcwfs.sostl_algobase.h:931-931,stl_iterator.h:1111-1111,VectorSoAContainer.h:244-244,VectorSoAContainer.h:273-273,TinyVector.h:62-62,TwoBodyJastrowRef.h:268-269,TwoBodyJastrowRef.h:364-364,TwoBodyJastrowRef.h:367-369,TwoBodyJastrowRef.h:375-377,TwoBodyJastrowRef.h:386-393,TwoBodyJastrowRef.h:397-398,OhmmsVector.h:223-223,OhmmsVector.h:249-249,stl_numeric.h:140-141miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)InBetween0.0100NANANANANANANANANANANANANA
Loop 597libqmcwfs.soOneBodyJastrow.h:188-188,OneBodyJastrow.h:191-194,VectorSoAContainer.h:273-273miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Outermost0.0100NANANANANANANANANANANANANA
Loop 260libqmcparticle_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,stl_vector.h:1124-1124,OhmmsVector.h:223-223,OhmmsVector.h:248-248,unique_ptr.h:199-199,SoaDistanceTableAAOMPTarget.h:184-187qmcplusplus::SoaDistanceTableAAOMPTarget::evaluate(qmcplusplus::ParticleSet&)Outermost0.0100NANANANANANANANANANANANANA
Loop 48libqmcwfs.soBsplineAllocator.hpp:179-180qmcplusplus::BsplineAllocator >::setCoefficientsForOrbitals(int, int, Array&, multi_UBspline_3d_d*) [clone ._omp_fn.0] [clone .lto_priv.0]Innermost0.0100NANANANANANANANANANANANANA
Loop 39libqmcutil.soNewTimer.h:119-119,stl_tree.h:790-790,stl_tree.h:1951-1953qmcplusplus::TimerType::stop()Single0.0600NANANANANANANANANANANANANA
Loop 208libqmcwfs.soNewTimer.h:242-242,NewTimer.h:249-249,stl_vector.h:988-988,refwrap.h:347-347,WaveFunction.cpp:225-228qmcplusplus::WaveFunction::acceptMove(qmcplusplus::ParticleSet&, int)Single0.0100NANANANANANANANANANANANANA
Loop 547libqmcwfs.soVectorSoAContainer.h:273-273,TwoBodyJastrow.h:150-150,TwoBodyJastrow.h:153-157miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Outermost0.0100NANANANANANANANANANANANANA
Loop 331libqmcwfs.sostl_vector.h:1140-1140,BsplineFunctor.h:305-336qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constSingle0.0100NANANANANANANANANANANANANA
Loop 609libqmcwfs.sostl_numeric.h:141-141miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.0100NANANANANANANANANANANANANA
Loop 84execmain._omp_fn.1InBetween0.0100NANANANANANANANANANANANANA
Loop 345libqmcparticle.soOhmmsVector.h:178-178,OperatorTags.h:43-43,VirtualParticleSet.cpp:120-120qmcplusplus::VirtualParticleSet::makeMoves(qmcplusplus::ParticleSet const&, int, std::vector, std::allocator > > const&, bool, int)Single0.0100NANANANANANANANANANANANANA
Loop 459libqmcwfs.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)InBetween0.0100NANANANANANANANANANANANANA
Loop 454libqmcwfs.sostl_algobase.h:238-238,ParticleSet.h:313-313,stl_vector.h:1143-1143,TwoBodyJastrowRef.h:269-271,BsplineFunctor.h:276-276,BsplineFunctor.h:283-284,BsplineFunctor.h:291-298,BsplineFunctor.h:327-327,BsplineFunctor.h:336-336miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)InBetween0.0100NANANANANANANANANANANANANA
Loop 613libqmcwfs.soOneBodyJastrow.h:187-187miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.0100NANANANANANANANANANANANANA
Loop 298libqmcparticle.sostl_vector.h:988-988,unique_ptr.h:199-199,ParticleSet.cpp:389-390qmcplusplus::ParticleSet::acceptMove(int)Single0.0100NANANANANANANANANANANANANA
Loop 43libqmcwfs.soOhmmsMatrix.h:217-217,SPOSet.h:106-111,new_allocator.h:168-168,OhmmsVector.h:56-56,OhmmsVector.h:144-144,OhmmsVector.h:210-210qmcplusplus::SPOSet::evaluate_notranspose(qmcplusplus::ParticleSet const&, int, int, qmcplusplus::Matrix >&, qmcplusplus::Matrix, std::allocator > >&, qmcplusplus::Matrix >&)Single0.0100NANANANANANANANANANANANANA
Loop 439libqmcparticle_omptarget.soSoaDistanceTableABOMPTarget.h:214-214,SoaDistanceTableABOMPTarget.h:222-225qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)Outermost0.0100NANANANANANANANANANANANANA
Loop 207libqmcparticle.soPosTransformer.h:43-45qmcplusplus::RealSpacePositions::setAllParticlePos(qmcplusplus::ParticleAttrib, std::allocator > > const&)Single0.0100NANANANANANANANANANANANANA
Loop 45execmain._omp_fn.1Innermost0.0100NANANANANANANANANANANANANA
Loop 185libqmcparticle_omptarget.sostl_algobase.h:437-437,VectorSoAContainer.h:271-271,stl_vector.h:1124-1124,SoaDistanceTableAAOMPTarget.h:437-437qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)Single0.0100NANANANANANANANANANANANANA
Loop 94execmain._omp_fn.1Single0.0100NANANANANANANANANANANANANA
Loop 692libqmcwfs.soDiracMatrix.h:112-113qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)Single0.0100NANANANANANANANANANANANANA
Loop 611libqmcwfs.soOneBodyJastrow.h:184-187,OneBodyJastrow.h:191-192,stl_algobase.h:931-931,stl_algobase.h:1123-1123,stl_algobase.h:1128-1128,OneBodyJastrowRef.h:109-109,OneBodyJastrowRef.h:112-113,OneBodyJastrowRef.h:122-122,OneBodyJastrowRef.h:207-207,OneBodyJastrowRef.h:214-214,OneBodyJastrowRef.h:231-231,OneBodyJastrowRef.h:234-237,stl_iterator.h:1111-1111,stl_iterator.h:1148-1148,VectorSoAContainer.h:273-273,stl_vector.h:1124-1124,stl_vector.h:1143-1143,stl_vector.h:1256-1256,OhmmsVector.h:223-223,OhmmsVector.h:229-229,OhmmsVector.h:249-249,stl_numeric.h:140-141,BsplineFunctor.h:188-191miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Outermost0.0100NANANANANANANANANANANANANA
Loop 619libqmcwfs.soOneBodyJastrowRef.h:169-169,OperatorTags.h:94-94miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single0.0100NANANANANANANANANANANANANA
Loop 85execmain._omp_fn.1Innermost0.0100NANANANANANANANANANANANANA
Loop 455libqmcwfs.soTwoBodyJastrowRef.h:377-377,TwoBodyJastrowRef.h:380-383miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)InBetween0.0100NANANANANANANANANANANANANA
Loop 92execmain._omp_fn.1Innermost0.0100NANANANANANANANANANANANANA
Loop 38libqmcutil.soNewTimer.h:119-119,stl_tree.h:790-790,stl_tree.h:1951-1953qmcplusplus::TimerType::stop()Single0.0100NANANANANANANANANANANANANA
Loop 732libqmcwfs.soinner_product.hpp:82-83,inner_product.hpp:155-156,OhmmsMatrix.h:217-217,TinyVector.h:62-62,OhmmsVector.h:248-248,OperatorTags.h:63-63,OperatorTags.h:94-94,DiracDeterminantRef.cpp:247-247,DiracDeterminantRef.cpp:252-252,TinyVectorOps.h:129-131miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Outermost000NANANANANANANANANANANANANA
Loop 610libqmcwfs.soOneBodyJastrow.h:188-188,OneBodyJastrow.h:191-194,VectorSoAContainer.h:273-273miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)InBetween0.0100NANANANANANANANANANANANANA
Loop 442libqmcwfs.soTwoBodyJastrowRef.h:423-423,OperatorTags.h:94-94miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single000NANANANANANANANANANANANANA
Loop 208libqmcparticle.soPosTransformer.h:43-45qmcplusplus::RealSpacePositionsOMPTarget::setAllParticlePos(qmcplusplus::ParticleAttrib, std::allocator > > const&)Single0.0100NANANANANANANANANANANANANA
Loop 449libqmcwfs.soTwoBodyJastrowRef.h:423-423,OperatorTags.h:94-94miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single000NANANANANANANANANANANANANA
Loop 684libqmcwfs.soOhmmsMatrix.h:236-236,OhmmsVector.h:223-223,DelayedUpdate.h:186-187qmcplusplus::DelayedUpdate::updateInvMat(qmcplusplus::Matrix >&)Single000NANANANANANANANANANANANANA
Loop 129libqmcparticle_omptarget.soOhmmsVector.h:210-210,Mallocator.hpp:78-78,stl_construct.h:151-151,stl_construct.h:162-162qmcplusplus::DistanceTableAA::~DistanceTableAA()Single000NANANANANANANANANANANANANA
Loop 91execmain._omp_fn.1InBetween0.0100NANANANANANANANANANANANANA
Loop 615libqmcwfs.soOneBodyJastrowRef.h:214-218,OhmmsVector.h:223-223,shared_ptr_base.h:1666-1666miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.0100NANANANANANANANANANANANANA
Loop 443libqmcwfs.soTwoBodyJastrowRef.h:423-423,OperatorTags.h:94-94miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single000NANANANANANANANANANANANANA
Loop 208libqmcparticle_omptarget.soVectorSoAContainer.h:150-150,Mallocator.hpp:78-78,stl_construct.h:162-162qmcplusplus::DistanceTableAB::~DistanceTableAB()Single000NANANANANANANANANANANANANA
Loop 617libqmcwfs.sostl_numeric.h:140-141miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single0.0100NANANANANANANANANANANANANA
Loop 47libqmcwfs.sostl_vector.h:1124-1124,OhmmsArray.h:156-156,BsplineAllocator.hpp:171-171,BsplineAllocator.hpp:174-174,BsplineAllocator.hpp:179-180qmcplusplus::BsplineAllocator >::setCoefficientsForOrbitals(int, int, Array&, multi_UBspline_3d_d*) [clone ._omp_fn.0] [clone .lto_priv.0]Outermost0.0100NANANANANANANANANANANANANA
Loop 89execmain._omp_fn.1Innermost000NANANANANANANANANANANANANA
Loop 87execmain._omp_fn.1Innermost000NANANANANANANANANANANANANA
Loop 399libqmcparticle.soostream:667-667,CrystalLattice.h:147-147,ParticleSet.h:127-127,char_traits.h:409-409,OhmmsVector.h:223-223,TinyVectorTensorOps.h:150-152,OperatorTags.h:43-43,OperatorTags.h:63-63,ParticleIOUtility.h:71-90qmcplusplus::tile_cell(std::unique_ptr >&, qmcplusplus::Tensor const&, bool) [clone .constprop.0]Innermost000NANANANANANANANANANANANANA
Loop 35libqmcutil.soTimerManager.cpp:36-36,stl_tree.h:782-782,stl_tree.h:790-790,stl_tree.h:1951-1953,basic_string.h:3831-3831qmcplusplus::TimerManager >::initializeTimer(qmcplusplus::TimerType&)Single0.0100NANANANANANANANANANANANANA
Loop 442libqmcparticle_omptarget.soSoaDistanceTableABOMPTarget.h:194-196qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)Single000NANANANANANANANANANANANANA
Loop 605libqmcwfs.sostl_numeric.h:141-141miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Single000NANANANANANANANANANANANANA
Loop 210libqmcwfs.soTinyVector.h:164-164,OhmmsVector.h:379-379qmcplusplus::WaveFunction::evaluateGL(qmcplusplus::ParticleSet&)Single000NANANANANANANANANANANANANA
Loop 305libqmcparticle.soFastParticleOperators.h:72-73qmcplusplus::ParticleSet::convert2Cart(qmcplusplus::ParticleAttrib, std::allocator > >&)Single000NANANANANANANANANANANANANA
Loop 302libqmcparticle.sostl_vector.h:988-988,unique_ptr.h:199-199,ParticleSet.cpp:513-514qmcplusplus::ParticleSet::donePbyP(bool)Single000NANANANANANANANANANANANANA
Loop 207libqmcparticle_omptarget.soOhmmsVector.h:210-210,Mallocator.hpp:78-78,stl_construct.h:151-151,stl_construct.h:162-162qmcplusplus::DistanceTableAB::~DistanceTableAB()Single000NANANANANANANANANANANANANA
Loop 448libqmcwfs.soTwoBodyJastrowRef.h:423-425miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single000NANANANANANANANANANANANANA
Loop 742libqmcwfs.sorandom.tcc:458-466,random.tcc:3362-3365miniqmcreference::einspline_spo_ref::set(int, int, int, int, int, bool) [clone .constprop.0]Innermost000NANANANANANANANANANANANANA
Loop 444libqmcwfs.soTwoBodyJastrowRef.h:423-427miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single000NANANANANANANANANANANANANA
Loop 607libqmcwfs.soOperatorTags.h:94-94miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Single000NANANANANANANANANANANANANA
Loop 618libqmcwfs.soOneBodyJastrowRef.h:171-172miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single000NANANANANANANANANANANANANA
Loop 606libqmcwfs.soOneBodyJastrowRef.h:172-172miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Single000NANANANANANANANANANANANANA
Loop 691libqmcwfs.sostd_abs.h:72-72,DiracMatrix.h:31-35qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)Single000NANANANANANANANANANANANANA
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