options

Expert Summary

Columns Filter

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 (%) 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 (%)CQA cyclesCQA cycles if no scalar integerCQA cycles if FP arith vectorizedCQA cycles if fully vectorizedCQA cycles if FP only
Loop 833execMultiBsplineRef.hpp:242-262void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Innermost6.426.4214.921.001.001.001.43197.9298.968.258.258.258.255.75
Loop 2192execParticleBConds3DSoa.h:280-298qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)Innermost2.102.104.881.001.001.001.25 - 1.16197.4498.728.758.758.758.757.00 - 7.52
Loop 1898execOhmmsVector.h:223-223,VectorSoAContainer.h:244-244,VectorSoAContainer.h:263-263,SoaDistanceTableAAOMPTarget.h:440-442,TinyVector.h:145-145,TinyVector.h:182-182qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)Innermost1.721.724.001.371.002.003.6710.0050.003.672.673.671.831.00
Loop 1297execParticleBConds3DSoa.h:234-255void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer > >(qmcplusplus::TinyVector const&, qmcplusplus::VectorSoAContainer > const&, double*, qmcplusplus::VectorSoAContainer >&, int, int, int) constSingle1.601.603.721.001.001.001.21 - 1.16194.9296.618.758.758.758.757.25 - 7.52
Loop 823execMultiBsplineRef.hpp:68-71void miniqmcreference::MultiBsplineEvalRef::evaluate_v(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, unsigned long)Innermost1.601.603.711.151.001.041.30190.0095.003.252.833.253.132.50
Loop 822execMultiBsplineRef.hpp:68-71void miniqmcreference::MultiBsplineEvalRef::evaluate_v(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, unsigned long)Innermost1.591.593.681.151.001.041.30190.0095.003.252.833.253.132.50
Loop 824execMultiBsplineRef.hpp:68-71void miniqmcreference::MultiBsplineEvalRef::evaluate_v(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, unsigned long)Innermost1.571.573.651.151.001.041.30190.0095.003.252.833.253.132.50
Loop 825execMultiBsplineRef.hpp:68-71void miniqmcreference::MultiBsplineEvalRef::evaluate_v(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, unsigned long)Innermost1.541.533.571.151.001.041.30190.0095.003.252.833.253.132.50
Loop 317execBsplineFunctor.h:236-241miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)InBetween0.470.471.082.571.003.006.0010.0042.313.001.173.001.000.50
Loop 836execMultiBsplineRef.hpp:276-286void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Innermost0.370.370.851.001.001.002.74196.4398.216.176.176.176.172.25
Loop 814execeinspline_spo_ref.hpp:223-227,stl_algobase.h:238-238,OhmmsVector.h:223-223,stl_vector.h:1131-1131,VectorSoAContainer.h:231-231,VectorSoAContainer.h:271-271,TinyVector.h:145-145miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)Innermost0.280.280.652.331.001.227.0019.0952.277.003.007.005.751.00
Loop 264execBsplineFunctor.h:291-298qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constSingle0.210.210.491.801.003.009.0010.0041.671.500.831.500.500.17
Loop 928execinner_product.hpp:155-155,OperatorTags.h:63-63,OperatorTags.h:94-94miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.120.120.291.001.001.001.00190.0095.002.002.002.002.002.00
Loop 309execTwoBodyJastrowRef.h:324-331miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Innermost0.120.120.291.001.001.001.11196.5598.285.005.005.005.004.50
Loop 308execTwoBodyJastrowRef.h:342-347miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Innermost0.080.090.201.051.001.021.15194.1297.062.882.752.882.812.50
Loop 934execinner_product.hpp:155-155,OperatorTags.h:63-63,OperatorTags.h:94-94miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.080.090.201.001.001.001.00190.9195.452.002.002.002.002.00
Loop 925execinner_product.hpp:155-155,OperatorTags.h:63-63,OperatorTags.h:94-94miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)Single0.070.080.171.001.001.001.00190.0095.002.002.002.002.002.00
Loop 307execTwoBodyJastrowRef.h:342-347miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Innermost0.070.070.161.051.001.021.15194.1297.062.882.752.882.812.50
Loop 306execTwoBodyJastrowRef.h:342-347miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Innermost0.070.070.161.051.001.021.15194.1297.062.882.752.882.812.50
Loop 904execinner_product.hpp:211-212qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)Innermost0.070.070.161.001.002.002.6710.0050.002.672.672.671.331.00
Loop 816execinner_product.hpp:82-83qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)Innermost0.070.070.161.001.001.001.001100.00100.002.002.002.002.002.00
Loop 294execTwoBodyJastrowRef.h:155-156miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.060.060.141.001.001.001.001100.00100.002.002.002.002.002.00
Loop 319execstl_vector.h:1150-1150,BsplineFunctor.h:246-260miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Innermost0.040.040.101.291.161.241.29152.3878.574.503.503.883.633.50
Loop 292execTwoBodyJastrowRef.h:155-156miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.040.040.101.001.001.001.001100.00100.002.002.002.002.002.00
Loop 299execstl_numeric.h:141-141miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.040.040.081.001.001.091.00175.0087.502.002.002.001.832.00
Loop 316execBsplineFunctor.h:238-241miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Outermost0.040.040.081.201.002.004.0010.0050.001.000.831.000.500.25
Loop 933execinner_product.hpp:82-83miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.040.040.081.001.001.001.001100.00100.002.002.002.002.002.00
Loop 262execBsplineFunctor.h:303-336qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constSingle0.040.040.081.001.001.001.26192.21100.0013.5013.5013.5013.5010.75
Loop 293execTwoBodyJastrowRef.h:155-156miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.020.020.061.001.001.001.001100.00100.002.002.002.002.002.00
Loop 802execBsplineAllocator.hpp:179-180qmcplusplus::BsplineAllocator >::setCoefficientsForOrbitals(int, int, Array&, multi_UBspline_3d_d*) [clone .omp_outlined]Innermost0.020.020.05NANANANANANANANANANANANA
Loop 1541execNewTimer.h:119-119,stl_tree.h:1947-1947qmcplusplus::TimerType::stop()Innermost0.020.020.05NANANANANANANANANANANANA
Loop 216execOneBodyJastrowRef.h:192-193miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.020.020.05NANANANANANANANANANANANA
Loop 335execTwoBodyJastrowRef.h:397-398miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.010.020.03NANANANANANANANANANANANA
Loop 332execTwoBodyJastrowRef.h:397-398miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.010.020.03NANANANANANANANANANANANA
Loop 2189execParticleBConds3DSoa.h:298-298,SoaDistanceTableABOMPTarget.h:228-228qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)Outermost0.010.020.032.671.001.702.6712.0844.1024.009.0024.0014.099.00
Loop 837execMultiBsplineRef.hpp:226-226void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Innermost0.010.020.03NANANANANANANANANANANANA
Loop 242execstl_algobase.h:952-952qmcplusplus::Vector >::resize(unsigned long, double)Single0.010.020.03NANANANANANANANANANANANA
Loop 920execinner_product.hpp:155-155,OperatorTags.h:63-63,OperatorTags.h:94-94miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.010.020.031.001.001.001.00190.0095.002.002.002.002.002.00
Loop 321execTwoBodyJastrowRef.h:375-376miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.010.020.03NANANANANANANANANANANANA
Loop 343execTwoBodyJastrowRef.h:381-382miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.010.010.02NANANANANANANANANANANANA
Loop 342execTwoBodyJastrowRef.h:381-382miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.010.010.021.001.001.001.001100.00100.002.002.002.002.002.00
Loop 340execTwoBodyJastrowRef.h:388-391miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.010.010.021.051.001.021.92194.1297.062.882.752.882.811.50
Loop 268execBsplineFunctor.h:236-241qmcplusplus::BsplineFunctor::evaluateV(int, int, int, double const*, double*) constSingle0.010.010.02NANANANANANANANANANANANA
Loop 927execinner_product.hpp:82-83miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.010.010.021.001.001.001.001100.00100.002.002.002.002.002.00
Loop 341execTwoBodyJastrowRef.h:381-382miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.000.000.011.001.001.001.001100.00100.002.002.002.002.002.00
Loop 338execTwoBodyJastrowRef.h:397-398miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.000.000.01NANANANANANANANANANANANA
Loop 840execMultiBsplineRef.hpp:226-227,MultiBsplineRef.hpp:234-239,MultiBsplineRef.hpp:242-242void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)InBetween0.000.000.01NANANANANANANANANANANANA
Loop 218execOneBodyJastrowRef.h:192-193miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.000.000.01NANANANANANANANANANANANA
Loop 273execOneBodyJastrowRef.h:192-193miniqmcreference::OneBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.000.000.01NANANANANANANANANANANANA
Loop 1000execstl_algobase.h:952-952qmcplusplus::Vector > >::resize(unsigned long, double)Single0.000.000.01NANANANANANANANANANANANA
Loop 62execNonLocalPP.hpp:131-132,OhmmsVector.h:223-223,OhmmsVector.h:229-229,OperatorTags.h:43-43,OperatorTags.h:63-63,stl_vector.h:993-993,stl_vector.h:1131-1131,VectorSoAContainer.h:231-231,TinyVector.h:144-145qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)Innermost0.000.000.01NANANANANANANANANANANANA
Loop 817execinner_product.hpp:82-82,OhmmsVector.h:178-178,ParticleSet.h:277-277,stl_vector.h:1131-1131,SPOSet.h:83-86qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)InBetween0.000.000.01NANANANANANANANANANANANA
Loop 61execNonLocalPP.hpp:126-126,NonLocalPP.hpp:129-135,OhmmsVector.h:229-229,ParticleSet.h:277-277,stl_vector.h:993-993,stl_vector.h:1131-1131,stl_vector.h:1150-1150,unique_ptr.h:193-193qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)Outermost0.000.000.018.441.003.1033.7510.0045.315.630.675.631.810.17
Loop 1539execNewTimer.h:119-119,stl_tree.h:1947-1947qmcplusplus::TimerType::stop()Innermost0.000.000.01NANANANANANANANANANANANA
Loop 2205execNewTimer.h:249-249,stl_algobase.h:413-413,stl_algobase.h:450-454,stl_vector.h:1131-1131,VectorSoAContainer.h:271-271,stl_algo.h:709-709,SoaDistanceTableABOMPTarget.h:376-377qmcplusplus::SoaDistanceTableABOMPTarget::update(int)Single0.000.000.01NANANANANANANANANANANANA
Loop 919execinner_product.hpp:82-83miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.000.000.011.001.001.001.001100.00100.002.002.002.002.002.00
Loop 913execstl_algobase.h:413-413,OhmmsVector.h:223-223,OhmmsVector.h:248-249,stl_vector.h:1131-1131,DelayedUpdate.h:132-141,DelayedUpdate.h:144-144,DelayedUpdate.h:147-153,BLAS.hpp:187-187,BLAS.hpp:447-447,OhmmsMatrix.h:217-217void qmcplusplus::DelayedUpdate::acceptRow > >(qmcplusplus::Matrix >&, int, qmcplusplus::Vector > const&)Outermost0.000.000.01NANANANANANANANANANANANA
Loop 812execeinspline_spo_ref.hpp:183-187,stl_algobase.h:238-238,stl_algobase.h:413-413,stl_algobase.h:450-452,stl_algo.h:709-709miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)Single0.000.000.01NANANANANANANANANANANANA
×