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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 768execMultiBsplineRef.hpp:68-70miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)Innermost22.5121.5426.891.001.504.001.001100.0025.00267.312.502.501.670.632.50
Loop 1987execParticleBConds3DSoa.h:280-298,SoaDistanceTableABOMPTarget.h:228-228qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)Innermost8.47.939.91.003.336.671.00112.7714.10297.2515.0015.004.502.2515.00
Loop 780execMultiBsplineRef.hpp:242-262,TinyVector.h:61-61miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)Innermost9.147.289.091.002.002.001.001100.0050.00727.7911.5011.505.755.7511.50
Loop 779execMultiBsplineRef.hpp:242-242,MultiBsplineRef.hpp:253-261miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)Innermost8.544.886.091.001.062.001.411100.0050.00549.206.336.336.003.174.50
Loop 1742execVectorSoAContainer.h:244-244,VectorSoAContainer.h:263-263,OhmmsVector.h:223-223,TinyVector.h:182-182,SoaDistanceTableAAOMPTarget.h:440-442qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)Single4.574.225.271.461.008.005.83154.5515.910.005.834.005.830.731.00
Loop 1244execParticleBConds3DSoa.h:235-256void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer > >(qmcplusplus::TinyVector const&, qmcplusplus::VectorSoAContainer > const&, double*, qmcplusplus::VectorSoAContainer >&, int, int, int) constSingle1.71.411.761.001.671.671.00197.0048.881480.7560.0060.0036.0036.0060.00
Loop 274execBsplineFunctor.h:236-241qmcplusplus::BsplineFunctor::evaluateV(int, int, int, double const*, double*) constSingle1.281.091.361.831.003.6416.50284.4443.190.7416.509.0016.504.531.00
Loop 778execMultiBsplineRef.hpp:242-242,TinyVector.h:61-61miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)InBetween3.091.031.284.411.008.089.67926.8720.62341.9233.837.6733.834.193.50
Loop 2280exec__intel_avx_rep_memsetSingle0.880.760.951.001.002.004.001100.0050.000.394.004.004.002.001.00
Loop 770execVectorSoAContainer.h:231-231,VectorSoAContainer.h:271-271,einspline_spo_ref.hpp:223-227,stl_algobase.h:200-200,OhmmsVector.h:223-223,TinyVector.h:145-145,stl_vector.h:933-933miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)Innermost0.780.630.792.181.0012.264.02120.0013.130.006.172.836.170.501.53
Loop 297execTwoBodyJastrowRef.h:342-347miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Innermost0.60.480.61.001.332.001.001100.0050.00394.554.004.003.002.004.00
Loop 271execBsplineFunctor.h:291-297qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constSingle0.510.380.481.651.003.4219.00283.4842.770.2619.0011.5019.005.561.00
Loop 872execOperatorTags.h:63-63,TinyVector.h:61-61,inner_product.hpp:155-155miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)Single0.460.350.441.001.736.401.00133.3316.67181.7916.0016.009.252.5016.00
Loop 885execOperatorTags.h:63-63,DiracDeterminantRef.cpp:157-157,inner_product.hpp:155-155miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.40.350.431.001.736.401.00133.3316.67181.6816.0016.009.252.5016.00
Loop 772execMultiBsplineRef.hpp:276-286miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)Innermost0.460.320.41.001.072.001.071100.0050.00291.474.834.834.502.424.50
Loop 783execinner_product.hpp:82-83qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)Innermost0.370.280.351.001.542.001.001100.0050.00297.694.004.002.602.004.00
Loop 873execOperatorTags.h:63-63,DiracDeterminantRef.cpp:109-109,inner_product.hpp:155-155miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.350.220.271.001.736.401.00133.3316.67288.0016.0016.009.252.5016.00
Loop 299execTwoBodyJastrowRef.h:324-331miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.270.190.241.001.312.001.001100.0050.00428.973.503.502.671.753.50
Loop 887execinner_product.hpp:82-83miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.240.160.21.001.542.001.001100.0050.00130.974.004.002.602.004.00
Loop 291execTwoBodyJastrowRef.h:155-156miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.170.120.151.001.542.001.001100.0050.00308.784.004.002.602.004.00
Loop 289execTwoBodyJastrowRef.h:155-156miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.180.120.151.001.542.001.001100.0050.00348.824.004.002.602.004.00
Loop 287execTwoBodyJastrowRef.h:155-156miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.180.120.141.001.542.001.001100.0050.00364.704.004.002.602.004.00
Loop 272execBsplineFunctor.h:246-260qmcplusplus::BsplineFunctor::evaluateV(int, int, int, double const*, double*) constSingle0.130.080.11.001.522.131.001100.0046.88748.2016.0016.0010.507.5016.00
Loop 876execinner_product.hpp:82-83miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.110.070.081.001.542.001.001100.0050.00287.814.004.002.602.004.00
Loop 870execOperatorTags.h:63-63,DiracDeterminantRef.cpp:238-238,inner_product.hpp:155-155miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.090.070.081.001.736.401.00133.3316.67182.0316.0016.009.252.5016.00
Loop 293execstl_numeric.h:126-127,stl_iterator.h:887-887miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.10.060.071.001.782.001.001100.0050.00311.043.003.001.691.503.00
Loop 854execinner_product.hpp:211-212qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)Innermost0.060.060.071.111.002.403.50185.7141.070.003.503.173.501.461.00
Loop 269execBsplineFunctor.h:303-338qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constSingle0.090.050.071.131.572.101.571100.0048.311019.7731.5028.0020.0015.0020.00
Loop 52execOhmmsVector.h:229-229,stl_vector.h:806-806,stl_vector.h:933-933,NonLocalPP.hpp:126-126,NonLocalPP.hpp:129-135,unique_ptr.h:150-150qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)InBetween0.090.050.062.481.0012.153.4230.0011.700.624.561.834.560.381.33
Loop 306execTwoBodyJastrowRef.h:393-398miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.090.040.061.001.008.001.5610.0012.50318.654.674.674.670.583.00
Loop 771execVectorSoAContainer.h:265-265,einspline_spo_ref.hpp:206-207,stl_algobase.h:695-696,MultiBsplineRef.hpp:187-192,MultiBsplineRef.hpp:198-202,MultiBsplineRef.hpp:229-229,MultiBsplineRef.hpp:244-251,MultiBsplineRef.hpp:255-258,MultiBsplineRef.hpp:269-286,TinyVector.h:61-61,stl_vector.h:933-933,stl_vector.h:1056-1056,MultiBsplineData.hpp:68-79,MultiBsplineEvalHelper.hpp:45-47miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)Outermost0.080.030.041.581.756.612.2519238.0222.7721.9392.3358.3352.6313.9641.00
Loop 774execMultiBsplineRef.hpp:227-227,MultiBsplineRef.hpp:234-239,MultiBsplineRef.hpp:242-262,TinyVector.h:61-61miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)InBetween0.070.030.041.371.634.423.001660.9835.0035.4348.0035.0029.3910.8516.00
Loop 895execstl_algobase.h:740-742miniqmcreference::DiracDeterminantRef >::resize(int, int)Single0.040.020.031.001.002.003.001100.0050.000.003.003.003.001.501.00
Loop 254execstl_algobase.h:752-754qmcplusplus::Vector >::resize(unsigned long, double)Single0.040.020.031.001.002.001.001100.0050.000.001.001.001.000.501.00
Loop 314execTwoBodyJastrowRef.h:381-382miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.050.020.031.001.542.001.001100.0050.00208.964.004.002.602.004.00
Loop 312execTwoBodyJastrowRef.h:381-382miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.040.020.021.001.542.001.001100.0050.00215.314.004.002.602.004.00
Loop 310execTwoBodyJastrowRef.h:381-382miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.050.020.021.001.542.001.001100.0050.00208.684.004.002.602.004.00
Loop 316execTwoBodyJastrowRef.h:375-376miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.050.020.021.001.672.001.001100.0050.00304.387.007.004.203.507.00
Loop 868execinner_product.hpp:82-83miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.030.020.021.001.542.001.001100.0050.00210.334.004.002.602.004.00
Loop 28execrefwrap.h:313-313,TinyVector.h:62-62,stl_vector.h:933-933,miniqmc.cpp:429-458main.extracted.110Innermost0.040.020.022.891.0013.063.5026.9311.850.0811.083.8311.080.853.17
Loop 212execOneBodyJastrowRef.h:186-187miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.040.020.021.001.672.001.001100.0050.00246.717.007.004.203.507.00
Loop 308execTwoBodyJastrowRef.h:388-391miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.030.010.021.001.202.001.331100.0050.00840.082.002.001.671.001.50
Loop 773execMultiBsplineRef.hpp:226-226,MultiBsplineRef.hpp:234-236,MultiBsplineRef.hpp:244-244,MultiBsplineRef.hpp:250-250miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)InBetween0.030.010.017.331.008.0022.00160.0012.354.2011.001.5011.001.380.50
Loop 268execshared_ptr_base.h:1308-1308,ParticleSet.h:313-316,OneBodyJastrowRef.h:214-219,OhmmsVector.h:223-223,stl_vector.h:933-933,stl_vector.h:1056-1056miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)Single0.030.010.011.001.0012.043.0020.0011.610.803.003.003.000.251.00
Loop 765execeinspline_spo_ref.hpp:175-176,stl_algobase.h:200-200,stl_algobase.h:695-696,MultiBsplineRef.hpp:42-44,MultiBsplineRef.hpp:47-49,MultiBsplineRef.hpp:56-58,MultiBsplineRef.hpp:67-67,MultiBsplineRef.hpp:70-71,stl_vector.h:1056-1056,MultiBsplineData.hpp:54-57,MultiBsplineEvalHelper.hpp:45-47miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)Outermost0.020.010.011.222.477.401.371014.5814.3235.6028.0023.0011.323.7820.50
Loop 208execOneBodyJastrowRef.h:192-193miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.030.010.011.001.542.001.001100.0050.00316.014.004.002.602.004.00
Loop 207execOneBodyJastrowRef.h:192-193miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.020.010.011.001.542.001.001100.0050.00324.914.004.002.602.004.00
Loop 204execOneBodyJastrowRef.h:192-193miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.020.010.011.001.542.001.001100.0050.00307.164.004.002.602.004.00
Loop 320execrefwrap.h:313-313,optional:897-897,optional:1213-1213,OhmmsVector.h:223-223,OhmmsVector.h:229-229,OhmmsVector.h:249-249,TwoBodyJastrowRef.h:107-108,TwoBodyJastrowRef.h:126-127,stl_vector.h:806-806,stl_vector.h:933-933,stl_vector.h:951-951miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Outermost0.020.010.012.282.6921.903.0428.3911.879.906.082.672.270.282.00
Loop 53execVectorSoAContainer.h:231-231,OperatorTags.h:43-43,OperatorTags.h:63-63,OhmmsVector.h:229-229,TinyVector.h:145-145,stl_vector.h:806-806,stl_vector.h:933-933,NonLocalPP.hpp:131-132qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)Innermost0.020.010.011.001.697.062.14130.0016.252.555.005.002.960.712.33
Loop 1090execstl_vector.h:806-806,ParticleSet.cpp:242-243,unique_ptr.h:150-150qmcplusplus::ParticleSet::update(bool)Single0.020.010.011.001.008.002.0010.0012.500.002.002.002.000.251.00
Loop 766execMultiBsplineRef.hpp:63-63,MultiBsplineRef.hpp:66-66,MultiBsplineRef.hpp:70-71miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)InBetween0.020.010.016.001.009.378.0050.0012.15369.464.000.674.000.430.50
Loop 318execstl_numeric.h:126-127,stl_iterator.h:887-887miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.0200.011.001.782.001.001100.0050.00NA3.003.001.691.503.00
Loop 76execrefwrap.h:313-313,OperatorTags.h:94-94,stl_vector.h:806-806,stl_vector.h:933-933,WaveFunction.cpp:185-188,NewTimer.h:242-242,NewTimer.h:249-249qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)Single0.0200.011.562.049.742.80127.2715.34NA4.673.002.290.481.67
Loop 240execOneBodyJastrowRef.h:192-193miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.0100NANANANANANANANANANANANANA
Loop 767execMultiBsplineRef.hpp:64-71miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)InBetween0.0200NANANANANANANANANANANANANA
Loop 294execshared_ptr_base.h:1308-1308,ParticleSet.h:313-316,OhmmsVector.h:223-223,TwoBodyJastrowRef.h:269-274miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.0200NANANANANANANANANANANANANA
Loop 247execOneBodyJastrowRef.h:134-135,OneBodyJastrowRef.h:141-141,OneBodyJastrowRef.h:151-153,OhmmsVector.h:223-223,OhmmsVector.h:229-229,OhmmsVector.h:249-249,stl_vector.h:806-806,stl_vector.h:933-933,stl_vector.h:951-951miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Outermost0.0200NANANANANANANANANANANANANA
Loop 1988execSoaDistanceTableABOMPTarget.h:215-217,SoaDistanceTableABOMPTarget.h:222-222,SoaDistanceTableABOMPTarget.h:228-228qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)InBetween0.0200NANANANANANANANANANANANANA
Loop 764execeinspline_spo_ref.hpp:183-187,stl_algobase.h:200-200,stl_algobase.h:366-368,stl_vector.h:933-933,stl_vector.h:1056-1056,stl_algo.h:782-782miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)Single0.0300NANANANANANANANANANANANANA
Loop 51execVectorSoAContainer.h:231-231,ParticleSet.h:277-277,OhmmsVector.h:229-229,TinyVector.h:170-170,stl_vector.h:951-951,NonLocalPP.hpp:122-122,NonLocalPP.hpp:126-126qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)Outermost0.0200NANANANANANANANANANANANANA
Loop 239execOneBodyJastrowRef.h:192-193miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.0100NANANANANANANANANANANANANA
Loop 751execBsplineAllocator.hpp:179-180qmcplusplus::BsplineAllocator >::setCoefficientsForOrbitals(int, int, Array&, multi_UBspline_3d_d*) [clone .extracted]Innermost000NANANANANANANANANANANANANA
Loop 942execstl_algobase.h:752-754qmcplusplus::Vector > >::resize(unsigned long, double)Single0.0100NANANANANANANANANANANANANA
Loop 321execshared_ptr_base.h:1308-1308,ParticleSet.h:313-316,OhmmsVector.h:223-223,TwoBodyJastrowRef.h:127-132,stl_vector.h:1056-1056miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Innermost0.0100NANANANANANANANANANANANANA
Loop 83execrefwrap.h:313-313,stl_vector.h:806-806,stl_vector.h:933-933,WaveFunction.cpp:263-263,WaveFunction.cpp:269-269,WaveFunction.cpp:272-273,NewTimer.h:242-242,NewTimer.h:249-249qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Outermost0.0200NANANANANANANANANANANANANA
Loop 236execOneBodyJastrowRef.h:192-193miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.0100NANANANANANANANANANANANANA
Loop 781execSPOSet.h:83-86,OhmmsVector.h:178-178,OhmmsVector.h:248-249,inner_product.hpp:82-83,stl_vector.h:933-933qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)Outermost0.0100NANANANANANANANANANANANANA
Loop 77execrefwrap.h:313-313,stl_vector.h:806-806,stl_vector.h:933-933,WaveFunction.cpp:198-201,NewTimer.h:242-242,NewTimer.h:249-249qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.0100NANANANANANANANANANANANANA
Loop 202execstl_numeric.h:126-127,stl_iterator.h:887-887miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.0100NANANANANANANANANANANANANA
Loop 244execOneBodyJastrowRef.h:186-187miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.0100NANANANANANANANANANANANANA
Loop 1986execParticleBConds3DSoa.h:284-286,ParticleBConds3DSoa.h:289-289,ParticleBConds3DSoa.h:294-296,SoaDistanceTableABOMPTarget.h:214-215,SoaDistanceTableABOMPTarget.h:222-222qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)Outermost0.0100NANANANANANANANANANANANANA
Loop 1103execstl_vector.h:806-806,ParticleSet.cpp:389-390,unique_ptr.h:150-150qmcplusplus::ParticleSet::acceptMove(int)Single0.0100NANANANANANANANANANANANANA
Loop 301execshared_ptr_base.h:1308-1308,ParticleSet.h:313-316,OhmmsVector.h:223-223,TwoBodyJastrowRef.h:269-274miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.0100NANANANANANANANANANANANANA
Loop 883execOperatorTags.h:94-94,TinyVector.h:62-62,TinyVector.h:169-169,TinyVectorOps.h:131-131,DiracDeterminantRef.cpp:157-157,DiracDeterminantRef.cpp:173-173,DiracDeterminantRef.cpp:178-178,inner_product.hpp:82-83,inner_product.hpp:155-155miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Outermost0.0100NANANANANANANANANANANANANA
Loop 79execrefwrap.h:313-313,stl_vector.h:806-806,stl_vector.h:933-933,WaveFunction.cpp:225-228,NewTimer.h:242-242,NewTimer.h:249-249qmcplusplus::WaveFunction::acceptMove(qmcplusplus::ParticleSet&, int)Single0.0100NANANANANANANANANANANANANA
Loop 1989execSoaDistanceTableABOMPTarget.h:194-196qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)Single0.0200NANANANANANANANANANANANANA
Loop 305execVectorSoAContainer.h:244-244,VectorSoAContainer.h:263-263,VectorSoAContainer.h:273-273,DistanceTable.h:268-268,stl_numeric.h:126-127,stl_algobase.h:752-754,OhmmsVector.h:223-223,OhmmsVector.h:229-229,OhmmsVector.h:249-249,stl_iterator.h:784-784,stl_iterator.h:887-887,TwoBodyJastrowRef.h:268-269,TwoBodyJastrowRef.h:364-364,TwoBodyJastrowRef.h:367-367,TwoBodyJastrowRef.h:375-376,TwoBodyJastrowRef.h:381-383,TwoBodyJastrowRef.h:386-393,TwoBodyJastrowRef.h:397-398,TwoBodyJastrowRef.h:420-420,stl_vector.h:951-951,stl_vector.h:1056-1056miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)InBetween0.0100NANANANANANANANANANANANANA
Loop 1457execstl_tree.h:787-787,stl_tree.h:795-795,stl_tree.h:1210-1210,stl_tree.h:1894-1895,NewTimer.h:119-121std::map, double, std::less >, std::allocator const, double> > >::operator[](qmcplusplus::StackKeyParam<2> const&)Single0.0900NANANANANANANANANANANANANA
Loop 1097execstl_vector.h:806-806,ParticleSet.cpp:343-344,unique_ptr.h:150-150qmcplusplus::ParticleSet::computeNewPosDistTables(int, qmcplusplus::TinyVector const&, bool)Single0.0100NANANANANANANANANANANANANA
Loop 249execshared_ptr_base.h:1308-1308,ParticleSet.h:313-316,OneBodyJastrowRef.h:143-146,OhmmsVector.h:223-223,stl_vector.h:933-933,stl_vector.h:1056-1056miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Innermost0.0100NANANANANANANANANANANANANA
Loop 880execDelayedUpdate.h:137-138miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.0100NANANANANANANANANANANANANA
Loop 85execWaveFunction.cpp:273-274qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Innermost000NANANANANANANANANANANANANA
Loop 60execrandom.tcc:403-406,random.tcc:413-413,random.tcc:417-420,random.tcc:455-455,random.tcc:459-463,random.tcc:3329-3332double std::uniform_real_distribution::operator() >(std::mersenne_twister_engine&)Outermost0.0100NANANANANANANANANANANANANA
Loop 769execVectorSoAContainer.h:231-231,einspline_spo_ref.hpp:219-219,einspline_spo_ref.hpp:222-223,stl_vector.h:933-933miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)Outermost000NANANANANANANANANANANANANA
Loop 290execTwoBodyJastrowRef.h:155-156miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.0100NANANANANANANANANANANANANA
Loop 1453execNewTimer.cpp:53-54qmcplusplus::TimerType::start()Single0.0100NANANANANANANANANANANANANA
Loop 246execstl_numeric.h:126-127,stl_iterator.h:887-887miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost000NANANANANANANANANANANANANA
Loop 1455execNewTimer.cpp:99-100qmcplusplus::TimerType::stop()Single000NANANANANANANANANANANANANA
Loop 234execVectorSoAContainer.h:273-273,stl_numeric.h:126-127,OneBodyJastrowRef.h:109-113,OneBodyJastrowRef.h:166-166,OneBodyJastrowRef.h:186-188,OneBodyJastrowRef.h:192-194,OhmmsVector.h:223-223,OhmmsVector.h:249-249,TinyVector.h:169-169,stl_iterator.h:784-784,stl_iterator.h:887-887,stl_vector.h:951-951,stl_vector.h:1056-1056miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Outermost000NANANANANANANANANANANANANA
Loop 860execDelayedUpdate.h:160-160,DelayedUpdate.h:186-187qmcplusplus::DelayedUpdate::updateInvMat(qmcplusplus::Matrix >&)Single000NANANANANANANANANANANANANA
Loop 784execOhmmsMatrix.h:217-217,SPOSet.h:106-111,OhmmsVector.h:56-56,OhmmsVector.h:144-144,OhmmsVector.h:210-212,OhmmsVector.h:287-287,new_allocator.h:125-125qmcplusplus::SPOSet::evaluate_notranspose(qmcplusplus::ParticleSet const&, int, int, qmcplusplus::Matrix >&, qmcplusplus::Matrix, std::allocator > >&, qmcplusplus::Matrix >&)Single000NANANANANANANANANANANANANA
Loop 853execinner_product.hpp:210-212qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)InBetween000NANANANANANANANANANANANANA
Loop 1243execParticleBConds3DSoa.h:235-256void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer > >(qmcplusplus::TinyVector const&, qmcplusplus::VectorSoAContainer > const&, double*, qmcplusplus::VectorSoAContainer >&, int, int, int) constSingle000NANANANANANANANANANANANANA
Loop 303execOperatorTags.h:94-94,TwoBodyJastrowRef.h:423-427miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single0.0100NANANANANANANANANANANANANA
Loop 319execshared_ptr_base.h:1308-1308,ParticleSet.h:313-316,stl_algobase.h:200-200,OhmmsVector.h:223-223,TwoBodyJastrowRef.h:269-274miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost000NANANANANANANANANANANANANA
Loop 1737execOhmmsVector.h:223-223,OhmmsVector.h:248-248,SoaDistanceTableAAOMPTarget.h:184-185,stl_vector.h:933-933,unique_ptr.h:150-150qmcplusplus::SoaDistanceTableAAOMPTarget::evaluate(qmcplusplus::ParticleSet&)Single000NANANANANANANANANANANANANA
Loop 295execstl_algobase.h:752-752,TwoBodyJastrowRef.h:324-324,TwoBodyJastrowRef.h:334-334,TwoBodyJastrowRef.h:341-342,TwoBodyJastrowRef.h:347-349miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Outermost0.0100NANANANANANANANANANANANANA
Loop 1458execstl_tree.h:787-787,stl_tree.h:795-795,stl_tree.h:1210-1210,stl_tree.h:1894-1895,NewTimer.h:119-121std::map, long, std::less >, std::allocator const, long> > >::operator[](qmcplusplus::StackKeyParam<2> const&)Single0.0100NANANANANANANANANANANANANA
Loop 1159execOperatorTags.h:43-43,OhmmsVector.h:178-178,OhmmsVector.h:223-223,OhmmsVector.h:229-229,stl_vector.h:951-951,VirtualParticleSet.cpp:119-120qmcplusplus::VirtualParticleSet::makeMoves(qmcplusplus::ParticleSet const&, int, std::vector, std::allocator > > const&, bool, int)Single000NANANANANANANANANANANANANA
Loop 866execOperatorTags.h:94-94,TinyVector.h:62-62,TinyVector.h:169-169,TinyVectorOps.h:131-131,DiracDeterminantRef.cpp:238-238,DiracDeterminantRef.cpp:247-247,DiracDeterminantRef.cpp:252-252,inner_product.hpp:82-83,inner_product.hpp:155-155miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Outermost000NANANANANANANANANANANANANA
Loop 878execDelayedUpdate.h:147-148miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single000NANANANANANANANANANANANANA
Loop 879execDelayedUpdate.h:137-138miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single000NANANANANANANANANANANANANA
Loop 34execstl_algobase.h:740-742main.extracted.110Innermost000NANANANANANANANANANANANANA
Loop 1208execstl_uninitialized.h:526-526,OhmmsVector.h:47-47,OhmmsVector.h:287-287std::vector >, std::allocator > > >::_M_default_append(unsigned long)Single000NANANANANANANANANANANANANA
Loop 62execrandom.tcc:409-414double std::uniform_real_distribution::operator() >(std::mersenne_twister_engine&)Innermost000NANANANANANANANANANANANANA
Loop 1447execPosTransformer.h:39-46qmcplusplus::RealSpacePositionsOMPTarget::setAllParticlePos(qmcplusplus::ParticleAttrib, std::allocator > > const&)Single000NANANANANANANANANANANANANA
Loop 1444execPosTransformer.h:39-46qmcplusplus::RealSpacePositions::setAllParticlePos(qmcplusplus::ParticleAttrib, std::allocator > > const&)Single000NANANANANANANANANANANANANA
Loop 270execBsplineFunctor.h:291-298qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constSingle000NANANANANANANANANANANANANA
Loop 229execOneBodyJastrowRef.h:171-172miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single000NANANANANANANANANANANANANA
Loop 782execinner_product.hpp:82-83qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)Innermost000NANANANANANANANANANANANANA
Loop 61execrandom.tcc:401-406double std::uniform_real_distribution::operator() >(std::mersenne_twister_engine&)Innermost000NANANANANANANANANANANANANA
Loop 1194execstl_construct.h:98-98,stl_construct.h:107-107qmcplusplus::DistanceTableAA::~DistanceTableAA()Single000NANANANANANANANANANANANANA
Loop 225execOperatorTags.h:94-94,OneBodyJastrowRef.h:169-169miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single000NANANANANANANANANANANANANA
Loop 21execPrimeNumberSet.h:86-91mainInnermost000NANANANANANANANANANANANANA
Loop 891execstl_algobase.h:740-742miniqmcreference::DiracDeterminantRef >::resize(int, int)Single000NANANANANANANANANANANANANA
Loop 849execDiracMatrix.h:112-113qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)Single000NANANANANANANANANANANANANA
Loop 749execBsplineAllocator.hpp:179-180qmcplusplus::BsplineAllocator >::setCoefficientsForOrbitals(int, int, Array&, multi_UBspline_3d_d*) [clone .extracted]Innermost000NANANANANANANANANANANANANA
Loop 81execOhmmsVector.h:379-379,TinyVector.h:164-164qmcplusplus::WaveFunction::evaluateGL(qmcplusplus::ParticleSet&)Single000NANANANANANANANANANANANANA
Loop 74execOhmmsVector.h:379-379,TinyVector.h:164-164qmcplusplus::WaveFunction::evaluateLog(qmcplusplus::ParticleSet&)Single000NANANANANANANANANANANANANA
Loop 1733execVectorSoAContainer.h:151-153,VectorSoAContainer.h:167-167,VectorSoAContainer.h:174-176,OhmmsVector.h:149-149,OhmmsVector.h:156-158,OhmmsVector.h:212-215,aligned_allocator.hpp:46-46,SoaDistanceTableAAOMPTarget.h:96-96,SoaDistanceTableAAOMPTarget.h:106-109,stl_vector.h:933-933,stl_vector.h:1056-1056,Mallocator.hpp:78-78qmcplusplus::SoaDistanceTableAAOMPTarget::resize()Single000NANANANANANANANANANANANANA
Loop 1434execstl_construct.h:98-98,stl_construct.h:107-107qmcplusplus::DistanceTableAB::~DistanceTableAB()Single000NANANANANANANANANANANANANA
Loop 988execrandom.h:1823-1823,StdRandom.h:102-103,random.tcc:406-406,random.tcc:3334-3335,random.tcc:3338-3338qmcplusplus::build_els(qmcplusplus::ParticleSet const&, StdRandom >&, bool)Outermost000NANANANANANANANANANANANANA
Loop 877execDelayedUpdate.h:147-148miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single000NANANANANANANANANANANANANA
Loop 317execstl_numeric.h:126-127,stl_iterator.h:887-887miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost000NANANANANANANANANANANANANA
Loop 311execTwoBodyJastrowRef.h:381-382miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost000NANANANANANANANANANANANANA
Loop 1215execVectorSoAContainer.h:41-41,stl_uninitialized.h:526-526std::vector >, std::allocator > > >::_M_default_append(unsigned long)Single000NANANANANANANANANANANANANA
Loop 997execInfoStream.h:37-37,ParticleSet.h:127-127,OperatorTags.h:43-43,ostream:564-564,OhmmsVector.h:223-223,TinyVectorTensorOps.h:150-152,ParticleIOUtility.h:71-90,char_traits.h:329-329void qmcplusplus::expandSuperCell(qmcplusplus::ParticleSet&, qmcplusplus::Tensor const&)Innermost000NANANANANANANANANANANANANA
Loop 29execStdRandom.h:97-97,RandomGenerator.h:51-55main.extracted.110Innermost000NANANANANANANANANANANANANA
Loop 1068execParticleSet.cpp:119-120qmcplusplus::ParticleSet::create(std::vector > const&)Innermost000NANANANANANANANANANANANANA
Loop 989execrandom.tcc:403-406,random.tcc:413-413,random.tcc:417-420,random.tcc:455-455,random.tcc:459-463,random.tcc:3329-3332qmcplusplus::build_els(qmcplusplus::ParticleSet const&, StdRandom >&, bool)InBetween000NANANANANANANANANANANANANA
Loop 1242execParticleBConds3DSoa.h:235-255void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer > >(qmcplusplus::TinyVector const&, qmcplusplus::VectorSoAContainer > const&, double*, qmcplusplus::VectorSoAContainer >&, int, int, int) constSingle000NANANANANANANANANANANANANA
Loop 315execTwoBodyJastrowRef.h:375-376miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost000NANANANANANANANANANANANANA
Loop 313execTwoBodyJastrowRef.h:381-382miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost000NANANANANANANANANANANANANA
Loop 309execTwoBodyJastrowRef.h:381-382miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost000NANANANANANANANANANANANANA
Loop 292execstl_numeric.h:127-127,stl_iterator.h:887-887miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single000NANANANANANANANANANANANANA
Loop 996execOperatorTags.h:43-43,OperatorTags.h:63-63,OhmmsVector.h:61-61,ParticleIOUtility.h:70-70,ParticleIOUtility.h:79-79void qmcplusplus::expandSuperCell(qmcplusplus::ParticleSet&, qmcplusplus::Tensor const&)InBetween000NANANANANANANANANANANANANA
Loop 756execrandom.tcc:403-406,random.tcc:413-413,random.tcc:417-420,random.tcc:455-455,random.tcc:459-463,random.tcc:3329-3332miniqmcreference::einspline_spo_ref::set(int, int, int, int, int, bool)InBetween000NANANANANANANANANANANANANA
Loop 755execrandom.h:1823-1823,StdRandom.h:102-103,random.tcc:3334-3335,random.tcc:3338-3338miniqmcreference::einspline_spo_ref::set(int, int, int, int, int, bool)InBetween000NANANANANANANANANANANANANA
Loop 228execstl_numeric.h:126-127miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single000NANANANANANANANANANANANANA
Loop 846execDiracMatrix.h:31-35,std_abs.h:71-71qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)Single000NANANANANANANANANANANANANA
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