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Expert Summary

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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 1293execParticleBConds.h:185-201,ParticleBConds.h:209-217,TinyVector.h:177-177void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer > >(qmcplusplus::TinyVector const&, qmcplusplus::VectorSoAContainer > const&, double*, qmcplusplus::VectorSoAContainer >&, int, int, int) constSingle10.5610.5621.391.001.001.071.36169.3876.9355.0055.0055.0051.6140.50
Loop 944execMultiBsplineRef.hpp:250-270void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Innermost5.055.0510.231.001.821.721.35198.7065.2615.5015.508.509.0011.50
Loop 932execMultiBsplineRef.hpp:71-74void miniqmcreference::MultiBsplineEvalRef::evaluate_v(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, unsigned long)Innermost1.831.833.721.091.921.321.20194.1266.183.002.751.562.282.50
Loop 930execMultiBsplineRef.hpp:71-74void miniqmcreference::MultiBsplineEvalRef::evaluate_v(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, unsigned long)Innermost1.71.73.441.091.921.321.20194.1266.183.002.751.562.282.50
Loop 933execMultiBsplineRef.hpp:71-74void miniqmcreference::MultiBsplineEvalRef::evaluate_v(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, unsigned long)Innermost1.651.653.351.091.921.321.20194.1266.183.002.751.562.282.50
Loop 931execMultiBsplineRef.hpp:71-74void miniqmcreference::MultiBsplineEvalRef::evaluate_v(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, unsigned long)Innermost1.611.613.271.091.921.321.20194.1266.183.002.751.562.282.50
Loop 324execBsplineFunctor.h:236-241qmcplusplus::BsplineFunctor::evaluateV(int, int, int, double const*, double*) constSingle0.750.751.521.801.006.006.0010.0020.001.500.831.500.250.25
Loop 321execBsplineFunctor.h:291-298qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constSingle0.360.360.731.251.005.001.2520.0023.441.251.001.250.251.00
Loop 940execstl_algobase.h:924-924void miniqmcreference::MultiBsplineEvalRef::evaluate_v(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, unsigned long)Single0.190.190.381.001.001.001.001100.00100.005.005.005.005.005.00
Loop 942execMultiBsplineRef.hpp:285-295void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Single0.140.140.281.002.001.091.50197.3073.656.756.753.386.174.50
Loop 1050execOperatorTags.h:94-94,inner_product.hpp:154-154miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)Single0.120.120.241.001.001.231.33180.0085.004.004.004.003.253.00
Loop 922execOperatorTags.h:183-183,einspline_spo_ref.hpp:225-227,TinyVector.h:146-146miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)Single0.110.110.221.001.001.108.00187.5090.638.008.008.007.251.00
Loop 359execstl_algobase.h:924-924miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.110.110.221.001.001.001.001100.00100.005.005.005.005.005.00
Loop 358execstl_algobase.h:924-924miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.110.110.221.001.001.001.001100.00100.005.005.005.005.005.00
Loop 1030execinner_product.hpp:210-211qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)Innermost0.110.110.221.001.003.501.17125.0031.251.171.171.170.331.00
Loop 369execTwoBodyJastrowRef.h:322-329miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.10.10.211.001.001.001.431100.00100.0010.0010.0010.0010.007.00
Loop 360execstl_algobase.h:924-924miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.10.10.21.001.001.001.001100.00100.005.005.005.005.005.00
Loop 1060execOperatorTags.h:94-94,inner_product.hpp:154-154miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.10.10.21.001.001.231.33180.0085.004.004.004.003.253.00
Loop 1058execinner_product.hpp:81-82miniqmcreference::DiracDeterminantRef >::ratio(qmcplusplus::ParticleSet&, int)Single0.080.080.171.001.001.001.001100.00100.002.002.002.002.002.00
Loop 958execstl_algobase.h:924-924void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Single0.080.080.161.001.001.001.001100.00100.005.005.005.005.005.00
Loop 950execstl_algobase.h:924-924void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Single0.080.080.161.001.001.001.001100.00100.005.005.005.005.005.00
Loop 1053execOperatorTags.h:94-94,inner_product.hpp:154-154miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.070.070.141.001.001.231.33180.0085.004.004.004.003.253.00
Loop 1056execinner_product.hpp:52-52miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.060.060.131.001.001.001.001100.00100.005.005.005.005.005.00
Loop 376execstl_algobase.h:924-924miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.060.060.131.001.001.001.001100.00100.005.005.005.005.005.00
Loop 954execstl_algobase.h:924-924void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Single0.060.060.131.001.001.001.001100.00100.005.005.005.005.005.00
Loop 375execstl_algobase.h:924-924miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.050.050.111.001.001.001.001100.00100.005.005.005.005.005.00
Loop 951execstl_algobase.h:924-924void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Single0.050.050.111.001.001.001.001100.00100.005.005.005.005.005.00
Loop 365execTwoBodyJastrowRef.h:340-345miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.050.050.111.001.001.001.501100.00100.006.006.006.006.004.00
Loop 322execBsplineFunctor.h:246-260qmcplusplus::BsplineFunctor::evaluateV(int, int, int, double const*, double*) constSingle0.050.050.111.001.001.001.45178.9598.0316.0016.0016.0016.0011.00
Loop 956execstl_algobase.h:924-924void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Single0.050.050.11.001.001.001.001100.00100.005.005.005.005.005.00
Loop 350execTwoBodyJastrowRef.h:153-154miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.050.050.11.001.001.001.001100.00100.002.002.002.002.002.00
Loop 904execBsplineAllocator.hpp:179-180.omp_outlined..11Single0.050.050.11.001.001.002.001100.00100.002.002.002.002.001.00
Loop 306execalloc_traits.h:257-257std::vector >::_M_default_append(unsigned long)Single0.050.050.11.001.001.001.001100.00100.005.005.005.005.005.00
Loop 952execstl_algobase.h:924-924void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Single0.040.040.091.001.001.001.001100.00100.005.005.005.005.005.00
Loop 351execTwoBodyJastrowRef.h:153-154miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.040.040.091.001.001.001.001100.00100.002.002.002.002.002.00
Loop 361execTwoBodyJastrowRef.h:340-345miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.040.040.091.001.001.001.501100.00100.006.006.006.006.004.00
Loop 955execstl_algobase.h:924-924void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Single0.040.040.081.001.001.001.001100.00100.005.005.005.005.005.00
Loop 319execBsplineFunctor.h:303-336qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constSingle0.040.040.081.001.001.001.28190.4899.1127.5027.5027.5027.5021.50
Loop 949execstl_algobase.h:924-924void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Single0.030.030.071.001.001.001.001100.00100.005.005.005.005.005.00
Loop 367execTwoBodyJastrowRef.h:340-345miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.030.030.071.001.001.001.501100.00100.006.006.006.006.004.00
Loop 1061execinner_product.hpp:81-82miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.030.030.061.001.001.001.001100.00100.002.002.002.002.002.00
Loop 377execstl_algobase.h:924-924miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.030.030.061.001.001.001.001100.00100.005.005.005.005.005.00
Loop 957execstl_algobase.h:924-924void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Single0.030.030.061.001.001.001.001100.00100.005.005.005.005.005.00
Loop 1052execinner_product.hpp:81-82miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.030.030.061.001.001.001.001100.00100.002.002.002.002.002.00
Loop 1373execstl_tree.h:788-788,stl_tree.h:1902-1903,NewTimer.h:119-119qmcplusplus::TimerType::stop()Single0.020.020.051.001.004.001.0020.0025.005.005.005.001.255.00
Loop 1046execOperatorTags.h:94-94,inner_product.hpp:154-154miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.020.020.051.001.001.231.33180.0085.004.004.004.003.253.00
Loop 953execstl_algobase.h:924-924void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Single0.020.020.041.001.001.001.001100.00100.005.005.005.005.005.00
Loop 356execstl_numeric.h:141-141miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.020.020.041.001.001.121.00180.0085.002.002.002.001.792.00
Loop 946execMultiBsplineRef.hpp:249-250void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Outermost0.020.020.041.691.003.002.25142.8635.711.130.671.130.380.50
Loop 317execstl_algobase.h:924-924miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)Single0.020.020.041.001.001.001.001100.00100.005.005.005.005.005.00
Loop 50execstl_vector.h:1064-1064,miniqmc.cpp:476-478,ParticleSet.h:263-263.omp_outlined..62Outermost0.020.020.043.251.006.606.5010.0020.454.331.334.330.660.67
Loop 1281execstl_algobase.h:924-924qmcplusplus::Matrix >::resize(unsigned long, unsigned long)Single0.020.020.041.001.001.001.001100.00100.005.005.005.005.005.00
Loop 138execstl_vector.h:919-919,stl_vector.h:1046-1046,WaveFunction.cpp:216-219,refwrap.h:338-338,NewTimer.h:242-242,NewTimer.h:249-249qmcplusplus::WaveFunction::ratio(qmcplusplus::ParticleSet&, int)Single0.020.020.041.001.007.621.0010.0018.753.003.003.000.393.00
Loop 409execTwoBodyJastrowRef.h:379-380miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Single0.010.010.031.001.001.001.001100.00100.002.002.002.002.002.00
Loop 391execstl_algobase.h:924-924miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.010.010.031.001.001.001.001100.00100.005.005.005.005.005.00
Loop 1057execinner_product.hpp:52-52miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.010.010.031.001.001.001.001100.00100.005.005.005.005.005.00
Loop 349execTwoBodyJastrowRef.h:153-154miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.010.010.031.001.001.001.001100.00100.002.002.002.002.002.00
Loop 288execstl_algobase.h:924-924qmcplusplus::Vector >::resize(unsigned long, double)Single0.010.010.031.001.001.001.001100.00100.001.001.001.001.001.00
Loop 406execTwoBodyJastrowRef.h:373-374miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Single0.010.010.021.001.001.001.001100.00100.006.006.006.006.006.00
Loop 403execTwoBodyJastrowRef.h:386-389miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Single0.010.010.021.001.001.002.331100.00100.003.503.503.503.501.50
Loop 936execMultiBsplineRef.hpp:65-65,MultiBsplineRef.hpp:68-71void miniqmcreference::MultiBsplineEvalRef::evaluate_v(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, unsigned long)InBetween0.010.010.027.891.004.007.8910.0025.0017.752.2517.754.442.25
Loop 53execstl_vector.h:1046-1046,OperatorTags.h:183-183,miniqmc.cpp:422-453,refwrap.h:338-338.omp_outlined..62Innermost0.010.010.0210.171.006.9210.1710.0020.2410.171.0010.171.471.00
Loop 316execstl_algobase.h:924-924miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)Single0.010.010.021.001.001.001.001100.00100.005.005.005.005.005.00
Loop 294execOperatorTags.h:183-183,stl_algobase.h:911-911qmcplusplus::Vector, std::allocator > >::resize(unsigned long, qmcplusplus::TinyVector)Single0.010.010.021.001.004.001.0010.0025.001.001.001.000.251.00
Loop 1372execstl_tree.h:788-788,stl_tree.h:1902-1903,NewTimer.h:119-119qmcplusplus::TimerType::stop()Single0.010.010.021.001.004.001.0020.0025.005.005.005.001.255.00
Loop 408execTwoBodyJastrowRef.h:379-380miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Single000.011.001.001.001.001100.00100.002.002.002.002.002.00
Loop 402execTwoBodyJastrowRef.h:395-396miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Single000.011.001.001.004.001100.00100.004.004.004.004.001.00
Loop 400execTwoBodyJastrowRef.h:395-396miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Single000.011.001.001.004.001100.00100.004.004.004.004.001.00
Loop 336execstl_numeric.h:141-141miniqmcreference::OneBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Single000.011.001.001.121.00180.0085.002.002.002.001.792.00
Loop 948execMultiBsplineRef.hpp:233-234,MultiBsplineRef.hpp:241-246,MultiBsplineRef.hpp:249-249void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)InBetween000.012.721.004.004.1413.7025.937.252.677.251.811.75
Loop 934execMultiBsplineRef.hpp:70-71void miniqmcreference::MultiBsplineEvalRef::evaluate_v(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, unsigned long)Outermost000.011.001.004.004.0010.0025.001.001.001.000.250.25
Loop 392execstl_algobase.h:924-924miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost000.011.001.001.001.001100.00100.005.005.005.005.005.00
Loop 318execstl_algobase.h:924-924miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)Single000.011.001.001.001.001100.00100.005.005.005.005.005.00
Loop 258execOneBodyJastrowRef.h:196-197miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single000.011.001.001.001.001100.00100.002.002.002.002.002.00
Loop 1047execinner_product.hpp:81-82miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost000.011.001.001.001.001100.00100.002.002.002.002.002.00
Loop 390execstl_algobase.h:924-924miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost000.011.001.001.001.001100.00100.005.005.005.005.005.00
Loop 257execOneBodyJastrowRef.h:190-191miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single000.011.001.001.001.001100.00100.006.006.006.006.006.00
Loop 1297execDistanceTableBA.h:88-96,DistanceTableBA.h:99-99qmcplusplus::DistanceTableBA::evaluate(qmcplusplus::ParticleSet&)InBetween000.011.001.004.003.1720.0025.003.173.173.170.791.00
Loop 323execBsplineFunctor.h:246-260qmcplusplus::BsplineFunctor::evaluateV(int, int, int, double const*, double*) constSingle000.011.001.004.001.0010.0025.008.008.008.002.008.00
Loop 1229execstl_vector.h:919-919,ParticleSet.cpp:290-291qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&)Single000.011.001.006.221.7510.0020.831.751.751.750.281.00
Loop 255execstl_numeric.h:141-141miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single000.011.001.001.121.00180.0085.002.002.002.001.792.00
Loop 137execstl_vector.h:919-919,stl_vector.h:1046-1046,WaveFunction.cpp:204-207,refwrap.h:338-338,NewTimer.h:242-242,NewTimer.h:249-249qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single000.011.001.007.301.0010.0020.833.003.003.000.413.00
Loop 136execstl_vector.h:919-919,stl_vector.h:1046-1046,OperatorTags.h:94-94,WaveFunction.cpp:191-194,refwrap.h:338-338,NewTimer.h:242-242,NewTimer.h:249-249qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)Single000.011.301.374.163.25144.4434.724.333.333.171.041.33
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