Loop id | Source Location | Source Function | Level | Coverage run_0 (%) | Max Time Over Threads run_0 (s) | Time w.r.t. Wall Time run_0 (s) | Nb Threads run_0 | Vectorization Ratio (%) | Vector Length Use (%) | Speedup If No Scalar Integer | Speedup If FP Vectorized | Speedup If Fully Vectorized | Speedup If Perfect Load Balancing run_0 | Stride 0 | Stride 1 | Stride n | Stride Unknown | Stride Indirect | Speedup If Data in L1 run_0 |
---|
917 | miniqmc - MultiBsplineValue_OMPoffload.hpp:96-102 | qmcplusplus::einspline_spo_omp<double>::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector<double, std::allocator<double> >&, qmcplusplus::Vector<double, std::allocator<double> > const&, ... | Innermost | 60.02 | 30.22 | 27.48 | 16 | 45.71 | 49.29 | 1.02 | 1.04 | 1.5 | 1.44 | 0 | 1 | 0 | 9 | 0 | NA |
2010 | miniqmc - SoaDistanceTableABOMPTarget.h:228-228 [...] | qmcplusplus::SoaDistanceTableABOMPTarget<double, 3u, 40>::evaluate(qmcplusplus::ParticleSet&) | Innermost | 1.73 | 0.71 | 0.79 | 16 | 97.18 | 97.89 | 1 | 1 | 1 | 1.18 | 2 | 7 | 0 | 0 | 0 | 1.26 |
1268 | miniqmc - ParticleBConds3DSoa.h:234-255 | void qmcplusplus::DTD_BConds<double, 3u, 40>::computeDistances<qmcplusplus::TinyVector<double, 3u>, qmcplusplus::VectorSoAContainer<double, 3u, qmcplusplus::Mallocator<double, 32ul> >, qmcplusplus::VectorSoAContainer<double, 3... | Single | 0.82 | 0.35 | 0.38 | 16 | 95.8 | 96.85 | 1 | 1 | 1 | 1.21 | 2 | 7 | 0 | 0 | 0 | 0.06 |
259 | miniqmc - BsplineFunctor.h:236-241 | qmcplusplus::BsplineFunctor<double>::evaluateV(int, int, int, double const*, double*) const | Single | 0.65 | 0.3 | 0.3 | 16 | 0 | 21.53 | 1.3 | 1 | 6.04 | 1.3 | NA | NA | NA | NA | NA | 1.09 |
918 | miniqmc - einspline_spo_omp.cpp:259-259 [...] | qmcplusplus::einspline_spo_omp<double>::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector<double, std::allocator<double> >&, qmcplusplus::Vector<double, std::allocator<double> > const&, ... | InBetween | 0.59 | 0.33 | 0.27 | 16 | 20 | 27.5 | 2 | 1 | 6.86 | 1.57 | 1 | 0 | 0 | 11 | 0 | NA |
1770 | miniqmc - SoaDistanceTableAAOMPTarget.h:440-442 [...] | qmcplusplus::SoaDistanceTableAAOMPTarget<double, 3u, 40>::update(int) | Single | 0.5 | 0.26 | 0.23 | 16 | 54.55 | 31.82 | 1 | 1.09 | 4.36 | 1.53 | 0 | 4 | 2 | 3 | 1 | 8.72 |
845 | miniqmc - inner_product.hpp:155-155 [...] | qmcplusplus::DiracDeterminant<qmcplusplus::DelayedUpdate<double, double> >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib<qmcplusplus::TinyVector<double, 3u>, std::allocator<qmcplusplus::TinyVector<double,... | Innermost | 0.34 | 0.14 | 0.15 | 16 | 56.52 | 41.3 | 1 | 1.23 | 2 | 1.17 | 0 | 0 | 2 | 0 | 0 | 7.17 |
983 | miniqmc - einspline_spo_omp.cpp:353-358 [...] | qmcplusplus::einspline_spo_omp<double>::evaluate_build_vgl(qmcplusplus::Vector<double, std::allocator<double> >&, qmcplusplus::Vector<qmcplusplus::TinyVector<double, 3u>, std::allocator<qmcplusplus::TinyVector<double, 3... | Innermost | 0.32 | 0.14 | 0.15 | 16 | 14.29 | 22.32 | 1.42 | 1 | 4.86 | 1.27 | 4 | 1 | 1 | 6 | 0 | 2.16 |
836 | miniqmc - inner_product.hpp:155-155 [...] | qmcplusplus::DiracDeterminant<qmcplusplus::DelayedUpdate<double, double> >::evalGrad(qmcplusplus::ParticleSet&, int) | Single | 0.32 | 0.17 | 0.15 | 16 | 56.52 | 41.3 | 1 | 1.23 | 2 | 1.55 | 0 | 0 | 2 | 0 | 0 | 5.28 |
623 | miniqmc - TwoBodyJastrow.h:343-348 | qmcplusplus::TwoBodyJastrow<qmcplusplus::BsplineFunctor<double> >::acceptMove(qmcplusplus::ParticleSet&, int) | Innermost | 0.29 | 0.14 | 0.13 | 16 | 100 | 100 | 1 | 1 | 1 | 1.4 | 0 | 5 | 0 | 0 | 0 | 1.99 |
255 | miniqmc - BsplineFunctor.h:291-298 | qmcplusplus::BsplineFunctor<double>::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const | Single | 0.28 | 0.15 | 0.13 | 16 | 0 | 19.89 | 1.52 | 1 | 6.27 | 1.5 | NA | NA | NA | NA | NA | 1.51 |
981 | miniqmc - einspline_spo_omp.cpp:323-324 | qmcplusplus::einspline_spo_omp<double>::evaluate_vgh(qmcplusplus::ParticleSet const&, int, bool) | Innermost | 0.21 | 0.11 | 0.1 | 16 | 0 | 22.32 | 1 | 1 | 7.41 | 1.57 | 0 | 0 | 1 | 0 | 0 | NA |
847 | miniqmc - inner_product.hpp:82-83 | qmcplusplus::DiracDeterminant<qmcplusplus::DelayedUpdate<double, double> >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib<qmcplusplus::TinyVector<double, 3u>, std::allocator<qmcplusplus::TinyVector<double,... | Innermost | 0.12 | 0.07 | 0.05 | 16 | 100 | 100 | 1 | 1 | 1 | 1.75 | 0 | 2 | 0 | 0 | 0 | NA |
257 | miniqmc - BsplineFunctor.h:246-260 [...] | qmcplusplus::BsplineFunctor<double>::evaluateV(int, int, int, double const*, double*) const | Single | 0.09 | 0.04 | 0.04 | 16 | 63.64 | 66.48 | 1 | 1 | 1.29 | 1.33 | 1 | 1 | 0 | 0 | 4 | NA |
866 | miniqmc - inner_product.hpp:211-212 | qmcplusplus::DiracMatrix<double, double>::invert_transpose(qmcplusplus::Matrix<double, std::allocator<double> > const&, qmcplusplus::Matrix<double, std::allocator<double> >&, double&, double&) | Innermost | 0.08 | 0.03 | 0.04 | 16 | 66.67 | 62.5 | 1 | 1 | 1.33 | 1 | 0 | 1 | 0 | 0 | 3 | NA |
916 | miniqmc - einspline_spo_omp.cpp:264-265 | qmcplusplus::einspline_spo_omp<double>::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector<double, std::allocator<double> >&, qmcplusplus::Vector<double, std::allocator<double> > const&, ... | Innermost | 0.07 | 0.04 | 0.03 | 16 | 100 | 100 | 1 | 1 | 1 | 1.33 | 0 | 2 | 0 | 0 | 0 | NA |
253 | miniqmc - BsplineFunctor.h:302-336 [...] | qmcplusplus::BsplineFunctor<double>::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const | Single | 0.06 | 0.04 | 0.03 | 16 | 65.22 | 68.94 | 1 | 1 | 1.25 | 2 | 1 | 2 | 0 | 0 | 8 | NA |
834 | miniqmc - inner_product.hpp:155-155 [...] | qmcplusplus::DiracDeterminant<qmcplusplus::DelayedUpdate<double, double> >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib<qmcplusplus::TinyVector<double, 3u>, std::allocator<qmcplusplus::TinyVector<double... | Innermost | 0.05 | 0.03 | 0.02 | 16 | 56.52 | 41.3 | 1 | 1.23 | 2 | 1.5 | 0 | 0 | 2 | 0 | 0 | NA |
626 | miniqmc - TwoBodyJastrow.h:325-332 | qmcplusplus::TwoBodyJastrow<qmcplusplus::BsplineFunctor<double> >::acceptMove(qmcplusplus::ParticleSet&, int) | Single | 0.05 | 0.03 | 0.02 | 15 | 100 | 100 | 1 | 1 | 1 | 1.5 | 0 | 8 | 0 | 0 | 0 | NA |
867 | miniqmc - inner_product.hpp:155-155 [...] | qmcplusplus::DiracDeterminant<qmcplusplus::DelayedUpdate<double, double> >::ratioGrad_compute(int, qmcplusplus::TinyVector<double, 3u>&) | Single | 0.04 | 0.03 | 0.02 | 13 | 56.52 | 41.3 | 1 | 1.23 | 2 | 1.5 | 0 | 0 | 2 | 0 | 0 | NA |
617 | miniqmc - TwoBodyJastrow.h:155-156 | qmcplusplus::TwoBodyJastrow<qmcplusplus::BsplineFunctor<double> >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector<double, 3u>&) | Single | 0.04 | 0.03 | 0.02 | 15 | 100 | 100 | 1 | 1 | 1 | 1.5 | 0 | 2 | 0 | 0 | 0 | NA |
619 | miniqmc - algorithm.hpp:26-28 | qmcplusplus::TwoBodyJastrow<qmcplusplus::BsplineFunctor<double> >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector<double, 3u>&) | Single | 0.04 | 0.02 | 0.02 | 16 | 100 | 100 | 1 | 1 | 1 | 2 | 0 | 1 | 0 | 0 | 0 | NA |
615 | miniqmc - TwoBodyJastrow.h:155-156 | qmcplusplus::TwoBodyJastrow<qmcplusplus::BsplineFunctor<double> >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector<double, 3u>&) | Single | 0.03 | 0.03 | 0.01 | 13 | 100 | 100 | 1 | 1 | 1 | 3 | 0 | 2 | 0 | 0 | 0 | NA |
914 | miniqmc - einspline_spo_omp.cpp:207-266 [...] | qmcplusplus::einspline_spo_omp<double>::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector<double, std::allocator<double> >&, qmcplusplus::Vector<double, std::allocator<double> > const&, ... | InBetween | 0.03 | 0.02 | 0.01 | 15 | 20.59 | 26.84 | 3.19 | 2.15 | 6 | 2 | NA | NA | NA | NA | NA | NA |
52 | miniqmc - NonLocalPP.hpp:126-135 [...] | qmcplusplus::NonLocalPP<double>::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&) | InBetween | 0.03 | 0.03 | 0.02 | 13 | 0 | 22.82 | 3.59 | 1.02 | 6.45 | 3 | 3 | 1.67 | 1.67 | 1.67 | 0.33 | NA |
762 | miniqmc - BsplineAllocator.hpp:179-180 | _ZN11qmcplusplus16BsplineAllocatorIdLm32ENS_10MallocatorIdLm32EEEE26setCoefficientsForOrbitalsEiiR5ArrayIdLj3EEP19multi_UBspline_3d_d.extracted#0x440ce0 | Innermost | 0.02 | 0.01 | 0.01 | 13 | 0 | 25 | 1 | 1 | 4 | 1 | 1 | 2 | 0 | 0 | 0 | NA |
832 | miniqmc - inner_product.hpp:82-83 | qmcplusplus::DiracDeterminant<qmcplusplus::DelayedUpdate<double, double> >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib<qmcplusplus::TinyVector<double, 3u>, std::allocator<qmcplusplus::TinyVector<double... | Innermost | 0.02 | 0.01 | 0.01 | 12 | 100 | 100 | 1 | 1 | 1 | 1 | 0 | 2 | 0 | 0 | 0 | NA |
233 | miniqmc - stl_algobase.h:752-754 | qmcplusplus::Vector<double, std::allocator<double> >::resize(unsigned long, double) | Single | 0.02 | 0.01 | 0.01 | 10 | 100 | 100 | 1 | 1 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | NA |
870 | miniqmc - inner_product.hpp:82-83 | qmcplusplus::DiracDeterminant<qmcplusplus::DelayedUpdate<double, double> >::ratioGrad_compute(int, qmcplusplus::TinyVector<double, 3u>&) | Single | 0.02 | 0.02 | 0.01 | 12 | 100 | 100 | 1 | 1 | 1 | 2 | 0 | 2 | 0 | 0 | 0 | NA |
645 | miniqmc - TwoBodyJastrow.h:382-383 | qmcplusplus::TwoBodyJastrow<qmcplusplus::BsplineFunctor<double> >::recompute(qmcplusplus::ParticleSet&) | Innermost | 0.02 | 0.01 | 0.01 | 9 | 100 | 100 | 1 | 1 | 1 | 1 | 0 | 2 | 0 | 0 | 0 | NA |
859 | miniqmc - stl_algobase.h:740-742 | qmcplusplus::DiracDeterminant<qmcplusplus::DelayedUpdate<double, double> >::resize(int, int) | Single | 0.02 | 0.01 | 0.01 | 12 | 100 | 100 | 1 | 2 | 2 | 1 | 0 | 1 | 0 | 0 | 0 | NA |
913 | miniqmc - einspline_spo_omp.cpp:207-266 [...] | qmcplusplus::einspline_spo_omp<double>::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector<double, std::allocator<double> >&, qmcplusplus::Vector<double, std::allocator<double> > const&, ... | InBetween | 0.02 | 0.01 | 0.01 | 12 | 23.01 | 30.75 | 1.24 | 1.27 | 2 | 1 | NA | NA | NA | NA | NA | NA |
613 | miniqmc - TwoBodyJastrow.h:155-156 | qmcplusplus::TwoBodyJastrow<qmcplusplus::BsplineFunctor<double> >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector<double, 3u>&) | Single | 0.02 | 0.02 | 0.01 | 11 | 100 | 100 | 1 | 1 | 1 | 2 | 0 | 2 | 0 | 0 | 0 | NA |
2007 | miniqmc - SoaDistanceTableABOMPTarget.h:61-228 [...] | qmcplusplus::SoaDistanceTableABOMPTarget<double, 3u, 40>::evaluate(qmcplusplus::ParticleSet&) | Outermost | 0.01 | 0.01 | 0 | 11 | 28.57 | 45.66 | 1.36 | 1.16 | 2.28 | 1 | 1 | 0 | 0 | 1 | 0 | NA |
979 | miniqmc - einspline_spo_omp.cpp:303-325 [...] | qmcplusplus::einspline_spo_omp<double>::evaluate_vgh(qmcplusplus::ParticleSet const&, int, bool) | Outermost | 0.01 | 0.01 | 0 | 5 | 0 | 24.17 | 1 | 1 | 5.24 | 1 | 0 | 0 | 2.33 | 0.67 | 0 | NA |
2260 | miniqmc - | __intel_avx_rep_memset | Single | 0.01 | 0 | 0 | 7 | 100 | 100 | 1 | 2 | 2 | 0 | 0 | 1 | 0 | 0 | 0 | NA |
649 | miniqmc - TwoBodyJastrow.h:382-383 | qmcplusplus::TwoBodyJastrow<qmcplusplus::BsplineFunctor<double> >::recompute(qmcplusplus::ParticleSet&) | Innermost | 0.01 | 0.01 | 0.01 | 8 | 100 | 100 | 1 | 1 | 1 | 1 | 0 | 2 | 0 | 0 | 0 | NA |
53 | miniqmc - NonLocalPP.hpp:131-132 [...] | qmcplusplus::NonLocalPP<double>::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&) | Innermost | 0.01 | 0.01 | 0 | 5 | 36.36 | 34.09 | 1 | 1.62 | 3.8 | 1 | 5 | 0 | 2 | 2 | 1 | NA |
643 | miniqmc - TwoBodyJastrow.h:362-392 [...] | qmcplusplus::TwoBodyJastrow<qmcplusplus::BsplineFunctor<double> >::recompute(qmcplusplus::ParticleSet&) | Innermost | 0.01 | 0.01 | 0 | 5 | 100 | 100 | 1 | 1.07 | 1.07 | 1 | 0 | 5 | 0 | 0 | 0 | NA |
252 | miniqmc - BsplineFunctor.h:302-336 [...] | qmcplusplus::BsplineFunctor<double>::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const | Single | 0.01 | 0.01 | 0 | 5 | 59.18 | 58.16 | 1 | 1.17 | 1.45 | 1 | 1 | 2 | 0 | 3 | 1 | NA |
647 | miniqmc - TwoBodyJastrow.h:382-383 | qmcplusplus::TwoBodyJastrow<qmcplusplus::BsplineFunctor<double> >::recompute(qmcplusplus::ParticleSet&) | Innermost | 0.01 | 0.01 | 0.01 | 11 | 100 | 100 | 1 | 1 | 1 | 1 | 0 | 2 | 0 | 0 | 0 | NA |
651 | miniqmc - TwoBodyJastrow.h:376-377 | qmcplusplus::TwoBodyJastrow<qmcplusplus::BsplineFunctor<double> >::recompute(qmcplusplus::ParticleSet&) | Innermost | 0.01 | 0.01 | 0 | 8 | 100 | 100 | 1 | 1 | 1 | 1 | 0 | 2 | 0 | 0 | 0 | NA |
570 | miniqmc - OneBodyJastrow.h:192-193 | qmcplusplus::OneBodyJastrow<qmcplusplus::BsplineFunctor<double> >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector<double, 3u>&) | Single | 0.01 | 0.01 | 0 | 5 | 100 | 100 | 1 | 1 | 1 | 1 | 0 | 2 | 0 | 0 | 0 | NA |
574 | miniqmc - OneBodyJastrow.h:192-193 | qmcplusplus::OneBodyJastrow<qmcplusplus::BsplineFunctor<double> >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector<double, 3u>&) | Single | 0.01 | 0.01 | 0 | 6 | 100 | 100 | 1 | 1 | 1 | 1 | 0 | 2 | 0 | 0 | 0 | NA |
28 | miniqmc - miniqmc.cpp:429-458 [...] | main.extracted.109 | Innermost | 0.01 | 0.02 | 0 | 7 | 7.74 | 23.55 | 11.17 | 1 | 6.49 | 2 | 2 | 0 | 2 | 0 | 0 | NA |
641 | miniqmc - TwoBodyJastrow.h:398-399 | qmcplusplus::TwoBodyJastrow<qmcplusplus::BsplineFunctor<double> >::recompute(qmcplusplus::ParticleSet&) | Innermost | 0.01 | 0.01 | 0 | 5 | 100 | 100 | 1 | 1.13 | 1.13 | 1 | 0 | 3 | 0 | 0 | 0 | NA |