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 |
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167 | libqmcparticle.so - ParticleBConds.h:188-217 | void qmcplusplus::DTD_BConds<double, 3u, 39>::computeDistances<qmcplusplus::TinyVector<double, 3u>, qmcplusplus::VectorSoAContainer<double, 3u, 64ul, qmcplusplus::Mallocator<double, 64ul> >, qmcplusplus::VectorSoAContainer<dou... | Single | 52.75 | 0.72 | 0.72 | 1 | 0.9 | 12.33 | 1 | 2.15 | 8 | 1 | 2 | 7 | 0 | 1 | 0 | 0.99 |
557 | libqmcwfs.so - MultiBsplineRef.hpp:72-74 | miniqmcreference::einspline_spo_ref<double>::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector<double, std::allocator<double> >&) | Innermost | 14.65 | 0.2 | 0.2 | 1 | 100 | 100 | 1 | 1 | 1 | 1 | 0 | 5 | 0 | 0 | 0 | 9.64 |
561 | libqmcwfs.so - MultiBsplineRef.hpp:252-270 | void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh<double>(qmcplusplus::bspline_traits<double, 3u>::SplineType const*, double, double, double, double*, double*, double*, unsigned long) | Innermost | 8.79 | 0.12 | 0.12 | 1 | 100 | 100 | 1.03 | 1 | 1 | 1 | 1 | 12 | 0 | 1 | 0 | 5.3 |
339 | libqmcwfs.so - BsplineFunctor.h:236-241 | miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::ratio(qmcplusplus::ParticleSet&, int) | Innermost | 2.2 | 0.03 | 0.03 | 1 | 0 | 10 | 1.47 | 1 | 12.16 | 1 | NA | NA | NA | NA | NA | NA |
373 | libqmcwfs.so - TwoBodyJastrow.h:153-154 | miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector<double, 3u>&) | Innermost | 2.2 | 0.03 | 0.03 | 1 | 0 | 12.5 | 1 | 1.48 | 8 | 1 | 0 | 1 | 2 | 0 | 0 | 0.97 |
61 | libqmcwfs.so - BsplineAllocator.hpp:179-180 | qmcplusplus::BsplineAllocator<double, 64ul, qmcplusplus::Mallocator<double, 64ul> >::setCoefficientsForOrbitals(int, int, Array<double, 3u>&, multi_UBspline_3d_d*) [clone ._omp_fn.0] [clone .lto_priv.0] | Innermost | 1.83 | 0.02 | 0.02 | 1 | 0 | 12.5 | 1 | 1.06 | 8 | 1 | 1 | 2 | 0 | 0 | 0 | NA |
563 | libqmcwfs.so - einspline_spo_ref.hpp:223-227 [...] | miniqmcreference::einspline_spo_ref<double>::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector<double, std::allocator<double> >&, qmcplusplus::Vector<qmcplusplus::TinyVector<double, 3u>, std::allocator<... | Innermost | 1.47 | 0.02 | 0.02 | 1 | 11.11 | 13.89 | 1 | 1 | 6.4 | 1 | 0 | 5 | 5 | 0 | 0 | NA |
369 | libqmcwfs.so - BsplineFunctor.h:291-298 | miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool) | Innermost | 1.1 | 0.01 | 0.01 | 1 | 0 | 9.38 | 1.75 | 1 | 12.63 | 1 | NA | NA | NA | NA | NA | NA |
340 | libqmcwfs.so - BsplineFunctor.h:246-260 | miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::ratio(qmcplusplus::ParticleSet&, int) | Innermost | 1.1 | 0.01 | 0.01 | 1 | 0 | 12.5 | 1 | 4.14 | 8 | 1 | 0 | 1 | 0 | 0 | 2 | NA |
376 | libqmcwfs.so - TwoBodyJastrowRef.h:340-345 | miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::acceptMove(qmcplusplus::ParticleSet&, int) | Innermost | 1.1 | 0.01 | 0.01 | 1 | 0 | 12.5 | 1 | 1.43 | 8 | 1 | 0 | 2 | 6 | 0 | 0 | NA |
374 | libqmcwfs.so - stl_numeric.h:140-141 | miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector<double, 3u>&) | Single | 0.37 | 0 | 0 | 1 | 0 | 12.5 | 1 | 2.26 | 8 | 0 | 0 | 1 | 0 | 0 | 0 | NA |
37 | exec - OperatorTags.h:53-63 [...] | main._omp_fn.1 | Innermost | 0.37 | 0 | 0 | 1 | 22.22 | 15.28 | 2.76 | 2.87 | 7.67 | 0 | 3 | 1 | 1 | 8 | 6 | NA |
613 | libqmcwfs.so - inner_product.hpp:154-154 [...] | miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector<double, 3u>&) | Single | 0.37 | 0 | 0 | 1 | 33.33 | 16.67 | 1 | 1.44 | 6.25 | 0 | 1 | 0 | 2 | 0 | 0 | NA |
142 | libqmcparticle.so - ParticleIOUtility.h:70-91 [...] | qmcplusplus::build_ions(qmcplusplus::ParticleSet&, qmcplusplus::Tensor<int, 3u> const&, qmcplusplus::Tensor<double, 3u>&) | Innermost | 0.37 | 0 | 0 | 1 | 16.62 | 14.38 | 1.21 | 1.42 | 7.69 | 0 | 2.5 | 1 | 0.5 | 1.25 | 0.25 | NA |
417 | libqmcwfs.so - OneBodyJastrow.h:196-197 | miniqmcreference::OneBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector<double, 3u>&) | Innermost | 0.37 | 0 | 0 | 1 | 0 | 12.5 | 1 | 1.48 | 8 | 0 | 0 | 2 | 0 | 0 | 0 | NA |
614 | libqmcwfs.so - inner_product.hpp:154-154 [...] | miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::evalGrad(qmcplusplus::ParticleSet&, int) | Single | 0.37 | 0 | 0 | 1 | 28.57 | 16.07 | 1 | 1.47 | 6.4 | 0 | 1 | 1 | 1 | 0 | 0 | NA |
577 | libqmcwfs.so - inner_product.hpp:210-211 | qmcplusplus::DiracMatrix<double, double>::invert_transpose(qmcplusplus::Matrix<double, std::allocator<double> > const&, qmcplusplus::Matrix<double, std::allocator<double> >&, double&, double&) | Innermost | 0.37 | 0 | 0 | 1 | 0 | 12.5 | 1 | 1 | 8 | 0 | 0 | 1 | 0 | 1 | 0 | NA |
611 | libqmcwfs.so - inner_product.hpp:81-82 | miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::ratio(qmcplusplus::ParticleSet&, int) | Single | 0.37 | 0 | 0 | 1 | 0 | 12.5 | 1 | 1.54 | 8 | 0 | 0 | 2 | 0 | 0 | 0 | NA |
609 | libqmcwfs.so - inner_product.hpp:81-82 | miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib<qmcplusplus::TinyVector<double, 3u>, std::allocator<qmcplusplus::TinyVector<... | Innermost | 0.37 | 0 | 0 | 1 | 0 | 12.5 | 1 | 1.48 | 8 | 0 | 0 | 2 | 0 | 0 | 0 | NA |
354 | libqmcwfs.so - BsplineFunctor.h:305-336 | miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib<qmcplusplus::TinyVector<double, 3u>, std::allocator<qmcplusplus::TinyVector<double, ... | Innermost | 0.37 | 0 | 0 | 1 | 99.43 | 97.49 | 1.04 | 1 | 1.02 | 0 | 10 | 2 | 0 | 0 | 3 | NA |
56 | libqmcparticle.so - DistanceTableBA.h:99-101 [...] | qmcplusplus::DistanceTableBA<double, 3u, 39>::evaluate(qmcplusplus::ParticleSet&) | Innermost | 0.37 | 0 | 0 | 1 | 0.94 | 12.56 | 1.02 | 3.35 | 8.08 | 0 | 2 | 0 | 0 | 6 | 2 | NA |
371 | libqmcwfs.so - BsplineFunctor.h:305-336 | miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool) | Innermost | 0.37 | 0 | 0 | 1 | 99.43 | 97.49 | 1.04 | 1 | 1.02 | 0 | 10 | 2 | 0 | 0 | 3 | NA |
610 | libqmcwfs.so - inner_product.hpp:154-154 [...] | miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib<qmcplusplus::TinyVector<double, 3u>, std::allocator<qmcplusplus::TinyVector<... | Innermost | 0.37 | 0 | 0 | 1 | 36.36 | 17.05 | 1 | 1.5 | 6.22 | 0 | 1 | 0 | 3 | 0 | 0 | NA |