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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 (%) 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) constSingle10.5210.5221.291.001.001.071.36169.3876.9355.0055.0055.0051.6140.50
Loop 944execMultiBsplineRef.hpp:250-270void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Innermost5.065.0610.251.001.821.721.35198.7065.2615.5015.508.509.0011.50
Loop 933execMultiBsplineRef.hpp:71-74void miniqmcreference::MultiBsplineEvalRef::evaluate_v(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, unsigned long)Innermost1.791.793.631.091.921.321.20194.1266.183.002.751.562.282.50
Loop 932execMultiBsplineRef.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 930execMultiBsplineRef.hpp:71-74void miniqmcreference::MultiBsplineEvalRef::evaluate_v(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, unsigned long)Innermost1.661.663.361.091.921.321.20194.1266.183.002.751.562.282.50
Loop 931execMultiBsplineRef.hpp:71-74void miniqmcreference::MultiBsplineEvalRef::evaluate_v(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, unsigned long)Innermost1.631.633.311.091.921.321.20194.1266.183.002.751.562.282.50
Loop 324execBsplineFunctor.h:236-241qmcplusplus::BsplineFunctor::evaluateV(int, int, int, double const*, double*) constSingle0.650.651.331.801.006.006.0010.0020.001.500.831.500.250.25
Loop 321execBsplineFunctor.h:291-298qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constSingle0.310.310.621.251.005.001.2520.0023.441.251.001.250.251.00
Loop 940execstl_algobase.h:924-924void miniqmcreference::MultiBsplineEvalRef::evaluate_v(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, unsigned long)Single0.160.160.331.001.001.001.001100.00100.005.005.005.005.005.00
Loop 1050execOperatorTags.h:94-94,inner_product.hpp:154-154miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)Single0.160.160.331.001.001.231.33180.0085.004.004.004.003.253.00
Loop 942execMultiBsplineRef.hpp:285-295void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Single0.160.160.331.002.001.091.50197.3073.656.756.753.386.174.50
Loop 369execTwoBodyJastrowRef.h:322-329miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.150.150.311.001.001.001.431100.00100.0010.0010.0010.0010.007.00
Loop 1030execinner_product.hpp:210-211qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)Innermost0.10.10.211.001.003.501.17125.0031.251.171.171.170.331.00
Loop 1060execOperatorTags.h:94-94,inner_product.hpp:154-154miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.10.10.211.001.001.231.33180.0085.004.004.004.003.253.00
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 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 >&)Single0.10.10.21.001.001.108.00187.5090.638.008.008.007.251.00
Loop 359execstl_algobase.h:924-924miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.090.090.191.001.001.001.001100.00100.005.005.005.005.005.00
Loop 358execstl_algobase.h:924-924miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.090.090.191.001.001.001.001100.00100.005.005.005.005.005.00
Loop 1056execinner_product.hpp:52-52miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.080.080.171.001.001.001.001100.00100.005.005.005.005.005.00
Loop 1058execinner_product.hpp:81-82miniqmcreference::DiracDeterminantRef >::ratio(qmcplusplus::ParticleSet&, int)Single0.080.080.161.001.001.001.001100.00100.002.002.002.002.002.00
Loop 375execstl_algobase.h:924-924miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.070.070.141.001.001.001.001100.00100.005.005.005.005.005.00
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 952execstl_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 365execTwoBodyJastrowRef.h:340-345miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.060.060.121.001.001.001.501100.00100.006.006.006.006.004.00
Loop 953execstl_algobase.h:924-924void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Single0.050.050.111.001.001.001.001100.00100.005.005.005.005.005.00
Loop 950execstl_algobase.h:924-924void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Single0.050.050.111.001.001.001.001100.00100.005.005.005.005.005.00
Loop 367execTwoBodyJastrowRef.h:340-345miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.050.050.111.001.001.001.501100.00100.006.006.006.006.004.00
Loop 904execBsplineAllocator.hpp:179-180.omp_outlined..11Single0.050.050.111.001.001.002.001100.00100.002.002.002.002.001.00
Loop 958execstl_algobase.h:924-924void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Single0.050.050.11.001.001.001.001100.00100.005.005.005.005.005.00
Loop 361execTwoBodyJastrowRef.h:340-345miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.050.050.11.001.001.001.501100.00100.006.006.006.006.004.00
Loop 376execstl_algobase.h:924-924miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.040.040.091.001.001.001.001100.00100.005.005.005.005.005.00
Loop 955execstl_algobase.h:924-924void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Single0.040.040.091.001.001.001.001100.00100.005.005.005.005.005.00
Loop 949execstl_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 306execalloc_traits.h:257-257std::vector >::_M_default_append(unsigned long)Single0.040.040.091.001.001.001.001100.00100.005.005.005.005.005.00
Loop 377execstl_algobase.h:924-924miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.040.040.081.001.001.001.001100.00100.005.005.005.005.005.00
Loop 956execstl_algobase.h:924-924void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Single0.040.040.081.001.001.001.001100.00100.005.005.005.005.005.00
Loop 951execstl_algobase.h:924-924void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Single0.040.040.081.001.001.001.001100.00100.005.005.005.005.005.00
Loop 1053execOperatorTags.h:94-94,inner_product.hpp:154-154miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.040.040.081.001.001.231.33180.0085.004.004.004.003.253.00
Loop 1281execstl_algobase.h:924-924qmcplusplus::Matrix >::resize(unsigned long, unsigned long)Single0.040.040.081.001.001.001.001100.00100.005.005.005.005.005.00
Loop 322execBsplineFunctor.h:246-260qmcplusplus::BsplineFunctor::evaluateV(int, int, int, double const*, double*) constSingle0.040.040.081.001.001.001.45178.9598.0316.0016.0016.0016.0011.00
Loop 957execstl_algobase.h:924-924void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)Single0.030.030.071.001.001.001.001100.00100.005.005.005.005.005.00
Loop 936execMultiBsplineRef.hpp:65-65,MultiBsplineRef.hpp:68-71void miniqmcreference::MultiBsplineEvalRef::evaluate_v(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, unsigned long)InBetween0.030.030.077.891.004.007.8910.0025.0017.752.2517.754.442.25
Loop 1061execinner_product.hpp:81-82miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.030.030.071.001.001.001.001100.00100.002.002.002.002.002.00
Loop 350execTwoBodyJastrowRef.h:153-154miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.030.030.071.001.001.001.001100.00100.002.002.002.002.002.00
Loop 319execBsplineFunctor.h:303-336qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constSingle0.030.030.061.001.001.001.28190.4899.1127.5027.5027.5027.5021.50
Loop 356execstl_numeric.h:141-141miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.020.020.051.001.001.121.00180.0085.002.002.002.001.792.00
Loop 1229execstl_vector.h:919-919,ParticleSet.cpp:290-291qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&)Single0.020.020.051.001.006.221.7510.0020.831.751.751.750.281.00
Loop 403execTwoBodyJastrowRef.h:386-389miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Single0.020.020.041.001.001.002.331100.00100.003.503.503.503.501.50
Loop 391execstl_algobase.h:924-924miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.020.020.041.001.001.001.001100.00100.005.005.005.005.005.00
Loop 390execstl_algobase.h:924-924miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.020.020.041.001.001.001.001100.00100.005.005.005.005.005.00
Loop 1373execstl_tree.h:788-788,stl_tree.h:1902-1903,NewTimer.h:119-119qmcplusplus::TimerType::stop()Single0.020.020.041.001.004.001.0020.0025.005.005.005.001.255.00
Loop 1046execOperatorTags.h:94-94,inner_product.hpp:154-154miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.020.020.041.001.001.231.33180.0085.004.004.004.003.253.00
Loop 402execTwoBodyJastrowRef.h:395-396miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Single0.010.010.031.001.001.004.001100.00100.004.004.004.004.001.00
Loop 317execstl_algobase.h:924-924miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)Single0.010.010.031.001.001.001.001100.00100.005.005.005.005.005.00
Loop 1052execinner_product.hpp:81-82miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.010.010.031.001.001.001.001100.00100.002.002.002.002.002.00
Loop 378execstl_vector.h:1046-1046,stl_vector.h:1169-1169,OhmmsVector.h:229-229,TwoBodyJastrowRef.h:125-130,ParticleSet.h:302-305miniqmcreference::TwoBodyJastrowRef >::ratio(qmcplusplus::ParticleSet&, int)Single0.010.010.031.001.007.501.0010.0018.752.002.002.000.272.00
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 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)Single0.010.010.031.001.007.621.0010.0018.753.003.003.000.393.00
Loop 407execTwoBodyJastrowRef.h:379-380miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Single0.010.010.021.001.001.001.001100.00100.002.002.002.002.002.00
Loop 400execTwoBodyJastrowRef.h:395-396miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Single0.010.010.021.001.001.004.001100.00100.004.004.004.004.001.00
Loop 392execstl_algobase.h:924-924miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.010.010.021.001.001.001.001100.00100.005.005.005.005.005.00
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 51execstl_vector.h:1046-1046,OperatorTags.h:53-53,OperatorTags.h:63-63,miniqmc.cpp:478-488,TinyVector.h:145-146,OhmmsVector.h:223-223,VectorSoAContainer.h:203-203,TinyVectorOps.h:85-85,refwrap.h:338-338.omp_outlined..62Innermost0.010.010.022.221.435.006.67122.2228.476.673.004.671.331.00
Loop 1057execinner_product.hpp:52-52miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.010.010.021.001.001.001.001100.00100.005.005.005.005.005.00
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 401execTwoBodyJastrowRef.h:395-396miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Single000.011.001.001.004.001100.00100.004.004.004.004.001.00
Loop 374execstl_vector.h:1046-1046,stl_vector.h:1169-1169,OhmmsVector.h:229-229,TwoBodyJastrowRef.h:266-271,ParticleSet.h:302-305miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single000.011.001.007.243.1710.0020.003.173.173.170.441.00
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 260execOneBodyJastrowRef.h:196-197miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single000.011.001.001.001.001100.00100.002.002.002.002.002.00
Loop 53execstl_vector.h:1046-1046,OperatorTags.h:183-183,miniqmc.cpp:422-453,refwrap.h:338-338.omp_outlined..62Innermost000.0110.171.006.9210.1710.0020.2410.171.0010.171.471.00
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 1374execNewTimer.cpp:99-100qmcplusplus::TimerType::stop()Single000.011.001.008.001.5010.0012.501.501.501.500.191.00
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 320execBsplineFunctor.h:302-336qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constSingle000.012.051.004.001.10133.3333.3314.006.8314.003.5012.75
Loop 274execstl_vector.h:1046-1046,stl_vector.h:1169-1169,OneBodyJastrowRef.h:147-150,OhmmsVector.h:229-229,ParticleSet.h:302-305miniqmcreference::OneBodyJastrowRef >::ratio(qmcplusplus::ParticleSet&, int)Single000.011.001.008.001.3310.0018.752.672.672.670.332.00
Loop 50execstl_vector.h:1064-1064,miniqmc.cpp:476-478,ParticleSet.h:263-263.omp_outlined..62Outermost000.013.251.006.606.5010.0020.454.331.334.330.660.67
Loop 139execstl_vector.h:919-919,stl_vector.h:1046-1046,WaveFunction.cpp:231-234,refwrap.h:338-338,NewTimer.h:242-242,NewTimer.h:249-249qmcplusplus::WaveFunction::acceptMove(qmcplusplus::ParticleSet&, int)Single000.011.001.007.271.5010.0018.752.502.502.500.341.67
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