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Source Location 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 956execMultiBsplineRef.hpp:68-71miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)Innermost17.3016.4319.271.001.952.001.001100.0050.000.0012.0012.006.176.0012.00
Loop 2539execVectorSoAContainer.h:244-244,VectorSoAContainer.h:263-263,TinyVector.h:182-182,SoaDistanceTableAAOMPTarget.h:440-442qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)Single13.6913.2515.541.581.008.006.33127.2715.910.006.334.006.330.791.00
Loop 1021execMultiBsplineRef.hpp:242-262void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Innermost12.1911.2113.151.002.508.001.00115.2214.400.0012.5012.505.001.5612.50
Loop 3109execParticleBConds3DSoa.h:280-298,SoaDistanceTableABOMPTarget.h:228-228qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)Innermost7.276.517.641.003.386.671.00112.2414.030.0015.0015.004.442.2515.00
Loop 382execBsplineFunctor.h:236-241miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Innermost2.121.772.071.001.0012.121.4765610.0010.000.0012.5012.5012.501.038.50
Loop 619execTwoBodyJastrowRef.h:342-347miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Innermost0.710.580.691.001.232.001.001100.0050.000.0016.0016.0013.038.0016.00
Loop 1025execeinspline_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 >&)Innermost0.660.500.581.001.006.408.00111.1113.890.008.008.008.001.251.00
Loop 2652execParticleBConds3DSoa.h:237-255qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)Single0.630.490.571.001.671.671.001100.0050.000.0015.0015.009.009.0015.00
Loop 1131execinner_product.hpp:155-155,OperatorTags.h:63-63,OperatorTags.h:94-94miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.540.470.551.001.002.001.50 - 1.411100.0050.000.0024.0024.0024.0012.0016.00 - 17.00
Loop 2653execParticleBConds3DSoa.h:237-255qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)Single0.600.470.551.001.671.671.001100.0050.000.0015.0015.009.009.0015.00
Loop 1020execMultiBsplineRef.hpp:276-286void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Single0.570.430.501.001.048.001.0410.0012.500.009.339.339.001.179.00
Loop 1127execinner_product.hpp:155-155,OperatorTags.h:63-63,OperatorTags.h:92-94miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)Single0.540.410.481.001.002.001.501100.0050.000.0024.0024.0024.0012.0016.00
Loop 285execTwoBodyJastrowRef.h:155-156miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Innermost0.360.280.331.001.232.001.001100.0050.000.0032.0032.0026.1116.0032.00
Loop 620execTwoBodyJastrowRef.h:324-331miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.430.280.321.001.318.001.0010.0012.500.0014.0014.0010.671.7514.00
Loop 1132execinner_product.hpp:82-83miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.290.220.261.001.232.001.001100.0050.000.0032.0032.0026.1116.0032.00
Loop 1126execinner_product.hpp:82-83miniqmcreference::DiracDeterminantRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Innermost0.320.210.251.001.232.001.001100.0050.000.0032.0032.0026.1116.0032.00
Loop 614execBsplineFunctor.h:291-298miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool)Innermost0.280.200.241.191.0012.631.7565610.009.380.0014.8312.5014.831.178.50
Loop 1149execinner_product.hpp:211-212miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.220.180.211.001.006.511.00133.3316.670.008.008.008.001.238.00
Loop 291execBsplineFunctor.h:291-298miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Innermost0.260.170.201.191.0012.631.7565610.009.380.0014.8312.5014.831.178.50
Loop 2888execParticleBConds3DSoa.h:237-255qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)Single0.160.090.111.001.671.671.001100.0050.000.0015.0015.009.009.0015.00
Loop 383execstl_vector.h:1147-1147,BsplineFunctor.h:246-260miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Innermost0.140.080.091.091.432.141.201100.0048.460.0033.5030.8323.4215.6728.00
Loop 121execOperatorTags.h:43-43,OperatorTags.h:63-63,VectorSoAContainer.h:231-231,stl_vector.h:993-993,NonLocalPP.hpp:126-126,NonLocalPP.hpp:129-135,unique_ptr.h:193-193,TinyVector.h:145-145,OhmmsVector.h:229-229,ParticleSet.h:277-277main._omp_fn.1InBetween0.140.070.091.741.799.852.811023.0815.220.0016.839.679.421.716.00
Loop 2625execParticleBConds3DSoa.h:237-255qmcplusplus::SoaDistanceTableAAOMPTarget::evaluate(qmcplusplus::ParticleSet&)Innermost0.130.070.081.001.671.671.001100.0050.000.0015.0015.009.009.0015.00
Loop 1124execinner_product.hpp:82-83miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.120.070.081.001.232.001.001100.0050.000.0032.0032.0026.1116.0032.00
Loop 1139execinner_product.hpp:155-155,OperatorTags.h:63-63,OperatorTags.h:94-94miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.090.060.071.001.002.001.501100.0050.000.0024.0024.0024.0012.0016.00
Loop 1123execinner_product.hpp:155-155,OperatorTags.h:63-63,OperatorTags.h:92-94miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.100.050.061.001.002.001.50 - 1.411100.0050.000.0024.0024.0024.0012.0016.00 - 17.00
Loop 2889execParticleBConds3DSoa.h:237-255qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)Single0.100.040.051.001.671.671.001100.0050.000.0015.0015.009.009.0015.00
Loop 633execTwoBodyJastrowRef.h:381-382miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.090.040.051.001.232.001.001100.0050.000.0032.0032.0026.1116.0032.00
Loop 289execstl_numeric.h:140-141miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.070.030.041.001.472.001.001100.0050.000.0024.0024.0016.3612.0024.00
Loop 293execstl_vector.h:1147-1147,BsplineFunctor.h:305-336miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Innermost0.070.030.031.121.592.201.35199.4248.770.0067.5060.5042.5030.7550.00
Loop 255execBsplineFunctor.h:236-241miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Innermost0.070.030.031.001.0012.121.4765610.0010.000.0012.5012.5012.501.038.50
Loop 1185execstl_algobase.h:939-940miniqmcreference::DiracDeterminantRef >::resize(int, int)Innermost0.040.030.031.001.002.0012.001100.0050.000.0012.0012.0012.006.001.00
Loop 639execBsplineFunctor.h:291-298miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.050.020.031.191.0012.631.7565610.009.380.0014.8312.5014.831.178.50
Loop 830execOneBodyJastrowRef.h:192-193miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Innermost0.050.020.021.001.232.001.001100.0050.000.0032.0032.0026.1116.0032.00
Loop 1138execinner_product.hpp:82-83miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.050.020.021.001.232.001.001100.0050.000.0032.0032.0026.1116.0032.00
Loop 290execstl_vector.h:1150-1150,stl_algobase.h:238-238,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&)Outermost0.040.020.021.221.556.202.11100001244.8719.600.00106.6787.6768.9917.2250.50
Loop 616execstl_vector.h:1147-1147,BsplineFunctor.h:305-336miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool)Innermost0.050.020.021.121.592.201.35199.4248.770.0067.5060.5042.5030.7550.00
Loop 381execstl_vector.h:1147-1147,stl_vector.h:1150-1150,BsplineFunctor.h:232-232,BsplineFunctor.h:236-241,BsplineFunctor.h:244-252,BsplineFunctor.h:256-260,TwoBodyJastrowRef.h:127-129,TwoBodyJastrowRef.h:132-132,OhmmsVector.h:221-221,ParticleSet.h:313-313,ParticleSet.h:316-316miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)InBetween0.040.020.021.032.126.111.21100001229.5516.340.0078.6776.5037.1712.8865.00
Loop 631execTwoBodyJastrowRef.h:397-398miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.040.010.011.001.002.002.001100.0050.000.008.008.008.004.004.00
Loop 370execOneBodyJastrowRef.h:192-193miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.010.010.011.001.232.001.001100.0050.000.0032.0032.0026.1116.0032.00
Loop 380execrefwrap.h:351-351,stl_vector.h:993-993,stl_vector.h:1131-1131,optional:991-991,BsplineFunctor.h:231-231,BsplineFunctor.h:256-258,TwoBodyJastrowRef.h:107-108,TwoBodyJastrowRef.h:125-127,OhmmsVector.h:223-223,OhmmsVector.h:249-249miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Outermost0.030.010.01NANANANANANANA0.00NANANANANA
Loop 632execTwoBodyJastrowRef.h:388-391miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.030.010.01NANANANANANANA0.00NANANANANA
Loop 3107execOMPTargetMath.hpp:38-38,ParticleBConds3DSoa.h:284-286,ParticleBConds3DSoa.h:294-296,SoaDistanceTableABOMPTarget.h:215-215,SoaDistanceTableABOMPTarget.h:218-218,SoaDistanceTableABOMPTarget.h:222-222,SoaDistanceTableABOMPTarget.h:228-228qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)InBetween0.030.010.01NANANANANANANA0.00NANANANANA
Loop 140execrefwrap.h:351-351,miniqmc.cpp:429-458,stl_vector.h:1131-1131,TinyVector.h:62-62main._omp_fn.1Innermost0.020.010.01NANANANANANANA0.00NANANANANA
Loop 1022execMultiBsplineRef.hpp:227-229,MultiBsplineRef.hpp:234-239void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)InBetween0.030.010.01NANANANANANANA0.00NANANANANA
Loop 613execstl_vector.h:1150-1150,stl_algobase.h:238-238,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)Outermost0.020.000.00NANANANANANANA0.00NANANANANA
Loop 2756execstl_algobase.h:951-952qmcplusplus::Vector > >::resize(unsigned long, double)Single0.010.000.00NANANANANANANA0.00NANANANANA
Loop 254execstl_vector.h:1147-1147,stl_vector.h:1150-1150,shared_ptr_base.h:1667-1667,OneBodyJastrowRef.h:143-146,BsplineFunctor.h:231-232,BsplineFunctor.h:236-241,BsplineFunctor.h:244-252,BsplineFunctor.h:256-260,OhmmsVector.h:223-223,ParticleSet.h:313-313,ParticleSet.h:316-316miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)InBetween0.020.000.00NANANANANANANA0.00NANANANANA
Loop 953execeinspline_spo_ref.hpp:175-176,stl_vector.h:1263-1263,stl_algobase.h:951-952,MultiBsplineEvalHelper.hpp:53-53,MultiBsplineEvalHelper.hpp:60-63,MultiBsplineData.hpp:54-57,MultiBsplineRef.hpp:42-44,MultiBsplineRef.hpp:47-49,MultiBsplineRef.hpp:56-58,MultiBsplineRef.hpp:63-63,MultiBsplineRef.hpp:67-68miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)Outermost0.030.000.00NANANANANANANA0.00NANANANANA
Loop 1403execstl_vector.h:993-993,unique_ptr.h:193-193,ParticleSet.cpp:242-243qmcplusplus::ParticleSet::update(bool)Single0.020.000.00NANANANANANANA0.00NANANANANA
Loop 951execBsplineAllocator.hpp:179-180qmcplusplus::BsplineAllocator >::setCoefficientsForOrbitals(int, int, Array&, multi_UBspline_3d_d*) [clone ._omp_fn.0]Innermost0.010.000.00NANANANANANANA0.00NANANANANA
Loop 252execstl_vector.h:993-993,stl_vector.h:1128-1128,stl_vector.h:1131-1131,OneBodyJastrowRef.h:134-135,OneBodyJastrowRef.h:140-141,OneBodyJastrowRef.h:151-151,OneBodyJastrowRef.h:154-155,BsplineFunctor.h:166-173,BsplineFunctor.h:179-182,BsplineFunctor.h:256-258,OhmmsVector.h:229-229,OhmmsVector.h:249-249miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Outermost0.020.000.00NANANANANANANA0.00NANANANANA
Loop 834execOneBodyJastrowRef.h:186-187miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.020.000.00NANANANANANANA0.00NANANANANA
Loop 1024execVectorSoAContainer.h:231-231,VectorSoAContainer.h:271-271,einspline_spo_ref.hpp:219-219,einspline_spo_ref.hpp:223-227,stl_vector.h:1131-1131,TinyVector.h:145-145,stl_algobase.h:238-238,OhmmsVector.h:223-223miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)Outermost0.020.000.00NANANANANANANA0.00NANANANANA
Loop 244execOneBodyJastrowRef.h:214-216miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*) [clone .isra.0]Innermost0.010.000.00NANANANANANANA0.00NANANANANA
Loop 637execTwoBodyJastrowRef.h:375-376miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.010.000.00NANANANANANANA0.00NANANANANA
Loop 2885execVectorSoAContainer.h:271-271,stl_vector.h:1131-1131,stl_algobase.h:413-413,stl_algobase.h:451-453,stl_algo.h:683-683,stl_algo.h:709-709,SoaDistanceTableABOMPTarget.h:375-376qmcplusplus::SoaDistanceTableABOMPTarget::update(int)Single0.010.000.00NANANANANANANA0.00NANANANANA
Loop 638execstl_numeric.h:140-141miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.010.000.00NANANANANANANA0.00NANANANANA
Loop 1026execVectorSoAContainer.h:265-265,einspline_spo_ref.hpp:206-207,stl_vector.h:1263-1263miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)Single0.010.000.00NANANANANANANA0.00NANANANANA
Loop 120execstl_vector.h:1150-1150,NonLocalPP.hpp:122-122,NonLocalPP.hpp:126-126,ParticleSet.h:277-277main._omp_fn.1InBetween0.010.000.00NANANANANANANA0.00NANANANANA
Loop 198execrefwrap.h:351-351,NewTimer.h:242-242,NewTimer.h:249-249,stl_vector.h:993-993,WaveFunction.cpp:198-201qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.020.000.00NANANANANANANA0.00NANANANANA
Loop 243execshared_ptr_base.h:1667-1667,OneBodyJastrowRef.h:214-214,OneBodyJastrowRef.h:218-218,OhmmsVector.h:223-223miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*) [clone .isra.0]Outermost0.020.000.00NANANANANANANA0.00NANANANANA
Loop 1023execMultiBsplineRef.hpp:226-227,MultiBsplineRef.hpp:234-236void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Outermost0.010.000.00NANANANANANANA0.00NANANANANA
Loop 1125execSPOSet.h:83-86,inner_product.hpp:82-83,OhmmsVector.h:178-178,OhmmsVector.h:248-249miniqmcreference::DiracDeterminantRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Outermost0.010.000.00NANANANANANANA0.00NANANANANA
Loop 954execMultiBsplineRef.hpp:64-71miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)InBetween0.020.000.00NANANANANANANA0.00NANANANANA
Loop 203execrefwrap.h:351-351,NewTimer.h:242-242,NewTimer.h:249-249,stl_vector.h:992-993,stl_vector.h:1131-1131,WaveFunction.cpp:269-269,WaveFunction.cpp:272-274qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Outermost0.010.000.00NANANANANANANA0.00NANANANANA
Loop 641execstl_vector.h:1147-1147,BsplineFunctor.h:305-336miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.010.000.00NANANANANANANA0.00NANANANANA
Loop 955execMultiBsplineRef.hpp:63-66miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)InBetween0.010.000.00NANANANANANANA0.00NANANANANA
Loop 1435execstl_vector.h:993-993,unique_ptr.h:193-193,ParticleSet.cpp:389-390qmcplusplus::ParticleSet::acceptMove(int)Single0.020.000.00NANANANANANANA0.00NANANANANA
Loop 825execBsplineFunctor.h:291-298qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constSingle0.010.000.00NANANANANANANA0.00NANANANANA
Loop 197execrefwrap.h:351-351,OperatorTags.h:94-94,NewTimer.h:242-242,NewTimer.h:249-249,stl_vector.h:993-993,WaveFunction.cpp:185-188qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)Single0.010.000.00NANANANANANANA0.00NANANANANA
Loop 1130execinner_product.hpp:82-83,inner_product.hpp:155-156,OperatorTags.h:63-63,OperatorTags.h:94-94,TinyVectorOps.h:129-131,DiracDeterminantRef.cpp:173-173,DiracDeterminantRef.cpp:178-178,OhmmsMatrix.h:217-217,TinyVector.h:62-62,OhmmsVector.h:248-248miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Outermost0.010.000.00NANANANANANANA0.00NANANANANA
Loop 952execeinspline_spo_ref.hpp:183-187,stl_vector.h:1263-1263,stl_algobase.h:238-238,stl_algobase.h:413-413,stl_algobase.h:451-452,stl_algo.h:683-683,stl_algo.h:709-709miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)Single0.010.000.00NANANANANANANA0.00NANANANANA
Loop 2130execstl_tree.h:786-786,stl_tree.h:1947-1949,NewTimer.h:119-119qmcplusplus::TimerType::stop()Single0.050.000.00NANANANANANANA0.00NANANANANA
Loop 826execBsplineFunctor.h:305-336qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constSingle0.010.000.00NANANANANANANA0.00NANANANANA
Loop 615execBsplineFunctor.h:305-336miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool)Innermost0.010.000.00NANANANANANANA0.00NANANANANA
Loop 292execBsplineFunctor.h:305-336miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Innermost0.010.000.00NANANANANANANA0.00NANANANANA
Loop 152execRandomGenerator.h:51-54,random.tcc:404-409,random.tcc:412-417,random.tcc:420-425,random.tcc:458-458,random.tcc:3363-3365,random.tcc:3370-3370,random.tcc:3374-3374,random.h:2011-2011main._omp_fn.1InBetween0.020.000.00NANANANANANANA0.00NANANANANA
Loop 627execstl_numeric.h:140-141,VectorSoAContainer.h:244-244,VectorSoAContainer.h:273-273,TinyVector.h:62-62,stl_algobase.h:952-952,stl_iterator.h:1102-1102,BsplineFunctor.h:315-315,TwoBodyJastrowRef.h:268-269,TwoBodyJastrowRef.h:364-364,TwoBodyJastrowRef.h:367-369,TwoBodyJastrowRef.h:375-377,TwoBodyJastrowRef.h:380-382,TwoBodyJastrowRef.h:386-393,TwoBodyJastrowRef.h:397-397,OhmmsVector.h:223-223,OhmmsVector.h:249-249miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)InBetween0.010.000.00NANANANANANANA0.00NANANANANA
Loop 829execstl_numeric.h:140-141miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.010.000.00NANANANANANANA0.00NANANANANA
Loop 200execrefwrap.h:351-351,NewTimer.h:242-242,NewTimer.h:249-249,stl_vector.h:993-993,WaveFunction.cpp:225-228qmcplusplus::WaveFunction::acceptMove(qmcplusplus::ParticleSet&, int)Single0.010.000.00NANANANANANANA0.00NANANANANA
Loop 1410execstl_vector.h:993-993,unique_ptr.h:193-193,ParticleSet.cpp:343-344qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)Single0.010.000.00NANANANANANANA0.00NANANANANA
Loop 367execstl_numeric.h:140-141miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.000.000.00NANANANANANANA0.00NANANANANA
Loop 625execstl_vector.h:1150-1150,stl_algobase.h:238-238,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 >::recompute(qmcplusplus::ParticleSet&)InBetween0.010.000.00NANANANANANANA0.00NANANANANA
Loop 2624execRealSpacePositionsOMPTarget.h:163-163,VectorSoAContainer.h:271-273,stl_vector.h:1131-1131,ParticleBConds3DSoa.h:222-224,ParticleBConds3DSoa.h:234-234,ParticleBConds3DSoa.h:237-243,ParticleBConds3DSoa.h:246-248,ParticleBConds3DSoa.h:251-255,unique_ptr.h:193-193,OhmmsVector.h:223-223,OhmmsVector.h:248-248,SoaDistanceTableAAOMPTarget.h:184-185qmcplusplus::SoaDistanceTableAAOMPTarget::evaluate(qmcplusplus::ParticleSet&)Outermost0.010.000.00NANANANANANANA0.00NANANANANA
Loop 2126execstl_tree.h:786-786,stl_tree.h:1947-1949,NewTimer.h:119-119qmcplusplus::TimerType::stop()Single0.020.000.00NANANANANANANA0.00NANANANANA
Loop 831execOneBodyJastrowRef.h:184-184,OneBodyJastrowRef.h:188-188,OneBodyJastrowRef.h:192-194miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)InBetween0.010.000.00NANANANANANANA0.00NANANANANA
Loop 286execTinyVector.h:62-62,TwoBodyJastrowRef.h:150-150,TwoBodyJastrowRef.h:155-157miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)InBetween0.010.000.00NANANANANANANA0.00NANANANANA
Loop 3108execSoaDistanceTableABOMPTarget.h:214-215,SoaDistanceTableABOMPTarget.h:222-225qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)Outermost0.010.000.00NANANANANANANA0.00NANANANANA
Loop 617execVectorSoAContainer.h:271-271,TwoBodyJastrowRef.h:334-334,TwoBodyJastrowRef.h:341-349,TwoBodyJastrowRef.h:355-355miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Outermost0.000.000.00NANANANANANANA0.00NANANANANA
Loop 318execOperatorTags.h:94-94miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single0.010.000.00NANANANANANANA0.00NANANANANA
Loop 634execVectorSoAContainer.h:273-273,TwoBodyJastrowRef.h:377-377,TwoBodyJastrowRef.h:381-383miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)InBetween0.010.000.00NANANANANANANA0.00NANANANANA
Loop 122execOperatorTags.h:43-43,OperatorTags.h:63-63,NonLocalPP.hpp:131-132,TinyVector.h:145-145main._omp_fn.1Innermost0.010.000.00NANANANANANANA0.00NANANANANA
Loop 2540execVectorSoAContainer.h:271-271,stl_vector.h:1131-1131,stl_algobase.h:452-452,SoaDistanceTableAAOMPTarget.h:437-437qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)Single0.010.000.00NANANANANANANA0.00NANANANANA
Loop 630execBsplineFunctor.h:336-336,TwoBodyJastrowRef.h:388-388,TwoBodyJastrowRef.h:393-393,TwoBodyJastrowRef.h:397-398miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)InBetween0.000.000.00NANANANANANANA0.00NANANANANA
Loop 1120execDelayedUpdate.h:186-187,OhmmsMatrix.h:236-236,OhmmsVector.h:223-223miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.010.000.00NANANANANANANA0.00NANANANANA
Loop 1609execOperatorTags.h:43-43,VirtualParticleSet.cpp:120-120,OhmmsVector.h:178-178qmcplusplus::VirtualParticleSet::makeMoves(qmcplusplus::ParticleSet const&, int, std::vector, std::allocator > > const&, bool, int)Single0.000.000.00NANANANANANANA0.00NANANANANA
Loop 374execOneBodyJastrowRef.h:186-187miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.010.000.00NANANANANANANA0.00NANANANANA
Loop 157execstl_algobase.h:939-940main._omp_fn.1Single0.000.000.00NANANANANANANA0.00NANANANANA
Loop 202execTinyVector.h:164-164,OhmmsVector.h:379-379qmcplusplus::WaveFunction::evaluateGL(qmcplusplus::ParticleSet&)Single0.000.000.00NANANANANANANA0.00NANANANANA
Loop 377execBsplineFunctor.h:291-298miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.010.000.00NANANANANANANA0.00NANANANANA
Loop 145execrandom.tcc:412-417main._omp_fn.1Innermost0.000.000.00NANANANANANANA0.00NANANANANA
Loop 148execalloc_traits.h:277-277,random.tcc:458-466,random.tcc:3365-3368main._omp_fn.1Innermost0.000.000.00NANANANANANANA0.00NANANANANA
Loop 950execstl_vector.h:1131-1131,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]Outermost0.000.000.00NANANANANANANA0.00NANANANANA
Loop 659execOperatorTags.h:94-94,TwoBodyJastrowRef.h:423-423miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single0.000.000.00NANANANANANANA0.00NANANANANA
Loop 319execOneBodyJastrowRef.h:171-172miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single0.000.000.00NANANANANANANA0.00NANANANANA
Loop 2686execaligned_allocator.hpp:46-46,VectorSoAContainer.h:154-154,VectorSoAContainer.h:167-167,VectorSoAContainer.h:174-176,stl_vector.h:1131-1131,stl_vector.h:1263-1263,OhmmsVector.h:149-149,OhmmsVector.h:156-158,SoaDistanceTableAAOMPTarget.h:96-96,SoaDistanceTableAAOMPTarget.h:106-109,Mallocator.hpp:78-79qmcplusplus::SoaDistanceTableAAOMPTarget::SoaDistanceTableAAOMPTarget(qmcplusplus::ParticleSet&)Single0.000.000.00NANANANANANANA0.00NANANANANA
Loop 153execrandom.tcc:458-466,random.tcc:3365-3368main._omp_fn.1Innermost0.000.000.00NANANANANANANA0.00NANANANANA
Loop 369execstl_numeric.h:140-141,stl_vector.h:1131-1131,stl_vector.h:1150-1150,stl_vector.h:1263-1263,stl_algobase.h:952-952,stl_algobase.h:1146-1146,stl_algobase.h:1151-1151,OneBodyJastrowRef.h:109-109,OneBodyJastrowRef.h:112-113,OneBodyJastrowRef.h:184-188,OneBodyJastrowRef.h:192-193,OneBodyJastrowRef.h:207-207,OneBodyJastrowRef.h:231-231,OneBodyJastrowRef.h:234-237,stl_iterator.h:1068-1068,stl_iterator.h:1102-1102,stl_iterator.h:1139-1139,BsplineFunctor.h:188-191,BsplineFunctor.h:315-315,OhmmsVector.h:223-223,OhmmsVector.h:229-229,OhmmsVector.h:249-249miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Outermost0.010.000.00NANANANANANANA0.00NANANANANA
Loop 660execTwoBodyJastrowRef.h:423-425miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single0.000.000.00NANANANANANANA0.00NANANANANA
Loop 1340execOperatorTags.h:43-43,OperatorTags.h:61-63,TinyVectorTensorOps.h:150-152,ParticleIOUtility.h:71-90,ostream:673-673,char_traits.h:391-391,OhmmsVector.h:223-223,ParticleSet.h:127-127void qmcplusplus::expandSuperCell(qmcplusplus::ParticleSet&, qmcplusplus::Tensor const&)Innermost0.000.000.00NANANANANANANA0.00NANANANANA
Loop 640execBsplineFunctor.h:305-336miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.000.000.00NANANANANANANA0.00NANANANANA
Loop 662execOperatorTags.h:94-94,TwoBodyJastrowRef.h:423-423miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single0.000.000.00NANANANANANANA0.00NANANANANA
Loop 1137execinner_product.hpp:82-83,inner_product.hpp:155-156,OperatorTags.h:63-63,OperatorTags.h:92-94,TinyVectorOps.h:129-131,DiracDeterminantRef.cpp:247-247,DiracDeterminantRef.cpp:252-252,OhmmsMatrix.h:217-217,TinyVector.h:62-62,OhmmsVector.h:248-248miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Outermost0.010.000.00NANANANANANANA0.00NANANANANA
Loop 155execrandom.tcc:458-466,random.tcc:3365-3368main._omp_fn.1Innermost0.000.000.00NANANANANANANA0.00NANANANANA
Loop 376execstl_vector.h:1150-1150,shared_ptr_base.h:1667-1667,OneBodyJastrowRef.h:214-216,BsplineFunctor.h:276-276,BsplineFunctor.h:281-285,BsplineFunctor.h:291-298,BsplineFunctor.h:305-311,BsplineFunctor.h:315-318,BsplineFunctor.h:321-336,OhmmsVector.h:223-223,ParticleSet.h:313-313,ParticleSet.h:316-316miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)InBetween0.000.000.00NANANANANANANA0.00NANANANANA
Loop 664execOperatorTags.h:94-94,TwoBodyJastrowRef.h:423-423miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single0.000.000.00NANANANANANANA0.00NANANANANA
Loop 362execOperatorTags.h:94-94miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Single0.010.000.00NANANANANANANA0.00NANANANANA
Loop 665execTwoBodyJastrowRef.h:423-427miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single0.000.000.00NANANANANANANA0.00NANANANANA
Loop 1015execrandom.tcc:458-466,random.tcc:3365-3368miniqmcreference::einspline_spo_ref::set(int, int, int, int, int, bool)Innermost0.000.000.00NANANANANANANA0.00NANANANANA
Loop 1761execstl_construct.h:162-162,VectorSoAContainer.h:150-150,Mallocator.hpp:78-78qmcplusplus::DistanceTableAA::~DistanceTableAA()Single0.000.000.00NANANANANANANA0.00NANANANANA
Loop 115execminiqmc.cpp:414-416,stl_vector.h:1131-1131,unique_ptr.h:193-193,new_allocator.h:104-104,new_allocator.h:134-134,new_allocator.h:172-172main._omp_fn.1Single0.000.000.00NANANANANANANA0.00NANANANANA
Loop 320execstl_numeric.h:140-141miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single0.000.000.00NANANANANANANA0.00NANANANANA
Loop 1454execstl_vector.h:993-993,unique_ptr.h:193-193,ParticleSet.cpp:513-514qmcplusplus::ParticleSet::donePbyP(bool)Single0.000.000.00NANANANANANANA0.00NANANANANA
Loop 1760execstl_construct.h:151-151,stl_construct.h:162-162,OhmmsVector.h:144-144,OhmmsVector.h:210-210,Mallocator.hpp:78-78qmcplusplus::DistanceTableAA::~DistanceTableAA()Single0.000.000.00NANANANANANANA0.00NANANANANA
Loop 2164execstl_tree.h:778-778,stl_tree.h:786-786,stl_tree.h:1930-1930,basic_string.h:228-228,basic_string.h:246-246,basic_string.h:269-269,basic_string.h:294-294,new_allocator.h:172-172std::_Rb_tree, std::allocator >, std::pair, std::allocator > const, unsigned char>, std::_Select1st, std::allocator > const, unsigned char> >, std::less, std::allocator > >, std::allocator, std::allocator > const, unsigned char> > >::_M_erase(std::_Rb_tree_node, std::allocator > const, unsigned char> >*) [clone .isra.0]Outermost0.000.000.00NANANANANANANA0.00NANANANANA
Loop 201execrefwrap.h:351-351,NewTimer.h:242-242,NewTimer.h:249-249,stl_vector.h:993-993,WaveFunction.cpp:252-256qmcplusplus::WaveFunction::evaluateGL(qmcplusplus::ParticleSet&)Single0.000.000.00NANANANANANANA0.00NANANANANA
Loop 2685execVectorSoAContainer.h:41-41,stl_uninitialized.h:642-642qmcplusplus::SoaDistanceTableAAOMPTarget::SoaDistanceTableAAOMPTarget(qmcplusplus::ParticleSet&)Single0.000.000.00NANANANANANANA0.00NANANANANA
Loop 1958execstl_construct.h:151-151,stl_construct.h:162-162,OhmmsVector.h:144-144,OhmmsVector.h:210-210,Mallocator.hpp:78-78qmcplusplus::DistanceTableAB::~DistanceTableAB()Single0.000.000.00NANANANANANANA0.00NANANANANA
Loop 130execrandom.tcc:412-417main._omp_fn.1Innermost0.000.000.00NANANANANANANA0.00NANANANANA
Loop 2212execstl_tree.h:786-786,stl_tree.h:1947-1949,basic_string.h:495-502,basic_string.h:3235-3235,basic_string.h:3874-3874,stl_algobase.h:238-238,char_traits.h:368-368,char_traits.h:381-381qmcplusplus::TimerManager >::initializeTimer(qmcplusplus::TimerType&)Single0.000.000.00NANANANANANANA0.00NANANANANA
Loop 3111execOhmmsVector.h:221-221,SoaDistanceTableABOMPTarget.h:194-196qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)Single0.000.000.00NANANANANANANA0.00NANANANANA
Loop 196execTinyVector.h:164-164,OhmmsVector.h:379-379qmcplusplus::WaveFunction::evaluateLog(qmcplusplus::ParticleSet&)Single0.000.000.00NANANANANANANA0.00NANANANANA
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