Loop id | Source Location | Source Function | Level | Coverage m4 (%) | Coverage m8 (%) | Coverage m16 (%) | Coverage m32 (%) | Coverage m64 (%) | Coverage m128 (%) | Coverage m192 (%) | Max Time Over Threads m4 (s) | Max Time Over Threads m8 (s) | Max Time Over Threads m16 (s) | Max Time Over Threads m32 (s) | Max Time Over Threads m64 (s) | Max Time Over Threads m128 (s) | Max Time Over Threads m192 (s) | Time w.r.t. Wall Time m4 (s) | Time w.r.t. Wall Time m8 (s) | Time w.r.t. Wall Time m16 (s) | Time w.r.t. Wall Time m32 (s) | Time w.r.t. Wall Time m64 (s) | Time w.r.t. Wall Time m128 (s) | Time w.r.t. Wall Time m192 (s) | Nb Threads m4 | Nb Threads m8 | Nb Threads m16 | Nb Threads m32 | Nb Threads m64 | Nb Threads m128 | Nb Threads m192 | Vectorization Ratio (%) | Vector Length Use (%) | Speedup If No Scalar Integer | Speedup If FP Vectorized | Speedup If Fully Vectorized | Speedup If Perfect Load Balancing m4 | Speedup If Perfect Load Balancing m8 | Speedup If Perfect Load Balancing m16 | Speedup If Perfect Load Balancing m32 | Speedup If Perfect Load Balancing m64 | Speedup If Perfect Load Balancing m128 | Speedup If Perfect Load Balancing m192 | Stride 0 | Stride 1 | Stride n | Stride Unknown | Stride Indirect |
---|
844 | libqmcwfs.so - MultiBsplineRef.hpp:242-262 | 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 | 12.98 | 13.59 | 10.97 | 10.75 | 10.95 | 13.13 | 12.83 | 5.78 | 6.96 | 5.77 | 5.66 | 5.63 | 7.47 | 6.98 | 5.36 | 6.13 | 5.03 | 4.93 | 5.11 | 6.36 | 6.15 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 100 | 100 | 1 | 1 | 1 | 1.09 | 1.2 | 1.16 | 1.16 | 1.14 | 1.2 | 1.16 | 1 | 8 | 3 | 0 | 0 |
823 | libqmcwfs.so - MultiBsplineRef.hpp:68-70 | miniqmcreference::einspline_spo_ref<double>::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector<double, std::allocator<double> >&) | Innermost | 3.8 | 3.64 | 3.59 | 3.36 | 3.46 | 3.46 | 3.33 | 1.61 | 1.65 | 1.72 | 1.63 | 1.86 | 1.88 | 1.81 | 1.57 | 1.64 | 1.65 | 1.54 | 1.62 | 1.68 | 1.59 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 100 | 100 | 1 | 1 | 1 | 1.04 | 1.06 | 1.06 | 1.07 | 1.18 | 1.15 | 1.16 | 0 | 5 | 0 | 0 | 0 |
824 | libqmcwfs.so - MultiBsplineRef.hpp:68-70 | miniqmcreference::einspline_spo_ref<double>::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector<double, std::allocator<double> >&) | Innermost | 3.8 | 3.5 | 3.47 | 3.43 | 3.41 | 3.39 | 3.28 | 1.68 | 1.63 | 1.74 | 1.7 | 1.79 | 1.83 | 1.74 | 1.57 | 1.58 | 1.59 | 1.57 | 1.59 | 1.64 | 1.57 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 100 | 100 | 1 | 1 | 1 | 1.08 | 1.09 | 1.11 | 1.1 | 1.15 | 1.14 | 1.13 | 0 | 5 | 0 | 0 | 0 |
825 | libqmcwfs.so - MultiBsplineRef.hpp:68-70 | miniqmcreference::einspline_spo_ref<double>::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector<double, std::allocator<double> >&) | Innermost | 3.64 | 3.56 | 3.64 | 3.42 | 3.42 | 3.38 | 3.28 | 1.51 | 1.61 | 1.79 | 1.77 | 1.71 | 1.79 | 1.72 | 1.5 | 1.61 | 1.67 | 1.57 | 1.6 | 1.64 | 1.57 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 100 | 100 | 1 | 1 | 1 | 1.01 | 1.06 | 1.09 | 1.15 | 1.1 | 1.12 | 1.12 | 0 | 5 | 0 | 0 | 0 |
826 | libqmcwfs.so - MultiBsplineRef.hpp:68-70 | miniqmcreference::einspline_spo_ref<double>::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector<double, std::allocator<double> >&) | Innermost | 3.61 | 3.63 | 3.48 | 3.41 | 3.37 | 3.37 | 3.25 | 1.56 | 1.62 | 1.73 | 1.71 | 1.73 | 1.87 | 1.76 | 1.49 | 1.64 | 1.59 | 1.57 | 1.57 | 1.63 | 1.56 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 100 | 100 | 1 | 1 | 1 | 1.06 | 1.04 | 1.1 | 1.11 | 1.14 | 1.17 | 1.15 | 0 | 5 | 0 | 0 | 0 |
456 | libqmcparticle_omptarget.so - ParticleBConds3DSoa.h:280-298 [...] | qmcplusplus::SoaDistanceTableABOMPTarget<double, 3u, 40>::evaluate(qmcplusplus::ParticleSet&) | Innermost | 2.17 | 3.15 | 2.01 | 2.14 | 2.1 | 2.05 | 2.01 | 0.99 | 2.23 | 1.08 | 1.13 | 1.12 | 1.34 | 1.09 | 0.9 | 1.42 | 0.92 | 0.98 | 0.98 | 0.99 | 0.96 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 95.83 | 96.35 | 1 | 1 | 1 | 1.11 | 1.65 | 1.19 | 1.16 | 1.18 | 1.38 | 1.16 | 2 | 1 | 0 | 1 | 0 |
204 | libqmcparticle_omptarget.so - SoaDistanceTableAAOMPTarget.h:440-442 [...] | qmcplusplus::SoaDistanceTableAAOMPTarget<double, 3u, 40>::update(int) | Single | 2.07 | 2.25 | 2.47 | 2.47 | 2.44 | 2.46 | 2.45 | 0.89 | 1.08 | 1.2 | 1.34 | 1.26 | 1.36 | 1.34 | 0.86 | 1.02 | 1.13 | 1.13 | 1.14 | 1.19 | 1.17 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 54.55 | 15.91 | 1.37 | 1 | 4.89 | 1.05 | 1.11 | 1.07 | 1.2 | 1.14 | 1.16 | 1.17 | 0 | 4 | 2 | 2 | 2 |
449 | libqmcwfs.so - BsplineFunctor.h:236-241 | qmcplusplus::BsplineFunctor<double>::evaluateV(int, int, int, double const*, double*) const | Single | 1.54 | 1.29 | 1.27 | 1.25 | 1.25 | 1.22 | 1.21 | 0.69 | 0.63 | 0.67 | 0.66 | 0.68 | 0.72 | 0.69 | 0.64 | 0.58 | 0.58 | 0.57 | 0.58 | 0.59 | 0.58 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 0 | 12.5 | 1.17 | 1 | 8 | 1.1 | 1.15 | 1.18 | 1.18 | 1.21 | 1.24 | 1.21 | 0 | 0.67 | 0 | 0 | 0.33 |
219 | libqmcparticle_omptarget.so - ParticleBConds3DSoa.h:234-255 | void qmcplusplus::DTD_BConds<double, 3u, 40>::computeDistances<qmcplusplus::TinyVector<double, 3u>, qmcplusplus::VectorSoAContainer<double, 3u, qmcplusplus::Mallocator<double, 64ul> >, qmcplusplus::VectorSoAContainer<double, 3... | Single | 1.13 | 1.13 | 1.12 | 1.14 | 1.16 | 1.09 | 1.11 | 0.51 | 0.58 | 0.63 | 0.61 | 0.66 | 0.65 | 0.67 | 0.47 | 0.51 | 0.52 | 0.52 | 0.54 | 0.53 | 0.53 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 92.45 | 93.4 | 1 | 1 | 1.05 | 1.11 | 1.18 | 1.24 | 1.2 | 1.27 | 1.25 | 1.29 | 2 | 7 | 0 | 0 | 0 |
836 | 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 | 0.89 | 0.84 | 0.83 | 0.83 | 0.82 | 0.79 | 0.79 | 0.4 | 0.44 | 0.42 | 0.48 | 0.48 | 0.47 | 0.51 | 0.37 | 0.38 | 0.38 | 0.38 | 0.38 | 0.38 | 0.38 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 0 | 11.93 | 2 | 1 | 4.76 | 1.11 | 1.22 | 1.14 | 1.26 | 1.3 | 1.27 | 1.38 | 4 | 1 | 2 | 4 | 0 |
901 | libqmcwfs.so - inner_product.hpp:155-155 [...] | miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::evalGrad(qmcplusplus::ParticleSet&, int) | Single | 0.61 | 0.57 | 0.49 | 0.48 | 0.47 | 0.44 | 0.45 | 0.31 | 0.29 | 0.27 | 0.27 | 0.3 | 0.28 | 0.32 | 0.25 | 0.26 | 0.23 | 0.22 | 0.22 | 0.21 | 0.21 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 100 | 100 | 1 | 1 | 1 | 1.24 | 1.21 | 1.23 | 1.29 | 1.43 | 1.33 | 1.52 | 0 | 2 | 0 | 0 | 0 |
453 | libqmcwfs.so - BsplineFunctor.h:291-298 | qmcplusplus::BsplineFunctor<double>::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const | Single | 0.58 | 0.58 | 0.56 | 0.57 | 0.56 | 0.53 | 0.55 | 0.26 | 0.28 | 0.36 | 0.32 | 0.33 | 0.36 | 0.41 | 0.24 | 0.26 | 0.26 | 0.26 | 0.26 | 0.26 | 0.26 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 0 | 12.15 | 1.03 | 1 | 8.97 | 1.08 | 1.12 | 1.44 | 1.23 | 1.32 | 1.44 | 1.58 | 0 | 1.33 | 0 | 0 | 0 |
839 | libqmcwfs.so - MultiBsplineRef.hpp:276-286 | 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 | 0.5 | 0.44 | 0.36 | 0.41 | 0.43 | 0.41 | 0.42 | 0.25 | 0.24 | 0.2 | 0.26 | 0.28 | 0.28 | 0.3 | 0.2 | 0.2 | 0.17 | 0.19 | 0.2 | 0.2 | 0.2 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 100 | 100 | 1 | 1 | 1 | 1.25 | 1.26 | 1.25 | 1.37 | 1.4 | 1.47 | 1.5 | 0 | 9 | 0 | 0 | 0 |
915 | libqmcwfs.so - inner_product.hpp:155-155 [...] | miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib<qmcplusplus::TinyVector<double, 3u>, std::allocator<qmcplusplus::TinyVector<... | Innermost | 0.34 | 0.35 | 0.38 | 0.37 | 0.37 | 0.35 | 0.36 | 0.16 | 0.24 | 0.2 | 0.22 | 0.23 | 0.23 | 0.23 | 0.14 | 0.16 | 0.18 | 0.17 | 0.17 | 0.17 | 0.17 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 100 | 100 | 1 | 1 | 1 | 1.14 | 1.6 | 1.18 | 1.29 | 1.35 | 1.44 | 1.35 | 0 | 2 | 0 | 0 | 0 |
892 | libqmcwfs.so - 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 | 0.33 | 0.31 | 0.3 | 0.3 | 0.3 | 0.29 | 0.29 | 0.15 | 0.15 | 0.15 | 0.17 | 0.16 | 0.16 | 0.16 | 0.14 | 0.14 | 0.14 | 0.14 | 0.14 | 0.14 | 0.14 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 0 | 12.5 | 1 | 1 | 8 | 1.07 | 1.15 | 1.07 | 1.31 | 1.14 | 1.14 | 1.14 | 0 | 1 | 0 | 1 | 0 |
914 | libqmcwfs.so - inner_product.hpp:82-83 | miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib<qmcplusplus::TinyVector<double, 3u>, std::allocator<qmcplusplus::TinyVector<... | Innermost | 0.23 | 0.19 | 0.17 | 0.17 | 0.16 | 0.18 | 0.17 | 0.14 | 0.11 | 0.1 | 0.13 | 0.14 | 0.13 | 0.13 | 0.1 | 0.09 | 0.08 | 0.08 | 0.08 | 0.09 | 0.08 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 100 | 100 | 1 | 1 | 1 | 1.56 | 1.38 | 1.25 | 1.63 | 2 | 1.44 | 1.63 | 0 | 2 | 0 | 0 | 0 |
99 | libqmcwfs.so - BsplineAllocator.hpp:179-180 | .omp_outlined..11 | Innermost | 0.19 | 0.19 | 0.2 | 0.19 | 0.2 | 0.16 | 0.17 | 0.08 | 0.1 | 0.12 | 0.12 | 0.14 | 0.13 | 0.14 | 0.08 | 0.09 | 0.09 | 0.09 | 0.1 | 0.08 | 0.08 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 100 | 100 | 1 | 1 | 1 | 1 | 1.25 | 1.33 | 1.33 | 1.56 | 1.63 | 1.75 | 0 | 2 | 0 | 0 | 0 |
633 | libqmcwfs.so - TwoBodyJastrowRef.h:342-347 | miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::acceptMove(qmcplusplus::ParticleSet&, int) | Single | 0.19 | 0.15 | 0.14 | 0.16 | 0.15 | 0.14 | 0.14 | 0.11 | 0.09 | 0.09 | 0.13 | 0.11 | 0.12 | 0.11 | 0.08 | 0.07 | 0.06 | 0.07 | 0.07 | 0.07 | 0.07 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 100 | 100 | 1 | 1 | 1 | 1.38 | 1.29 | 1.5 | 1.86 | 1.57 | 1.71 | 1.83 | 0 | 5 | 0 | 0 | 0 |
631 | libqmcwfs.so - TwoBodyJastrowRef.h:342-347 | miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::acceptMove(qmcplusplus::ParticleSet&, int) | Single | 0.17 | 0.17 | 0.14 | 0.14 | 0.16 | 0.13 | 0.14 | 0.09 | 0.1 | 0.1 | 0.1 | 0.11 | 0.11 | 0.11 | 0.07 | 0.08 | 0.06 | 0.07 | 0.07 | 0.07 | 0.07 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 100 | 100 | 1 | 1 | 1 | 1.29 | 1.43 | 1.67 | 1.67 | 1.57 | 1.83 | 1.57 | 0 | 5 | 0 | 0 | 0 |
8 | libqmcwfs.so - inner_product.hpp:82-83 | qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector<double, std::allocator<double> >&, qmcplusplus::Vector<double, std::allocator<double> > const&, std::vector<double, st... | Innermost | 0.16 | 0.15 | 0.14 | 0.14 | 0.15 | 0.14 | 0.14 | 0.07 | 0.07 | 0.1 | 0.1 | 0.11 | 0.11 | 0.13 | 0.06 | 0.07 | 0.06 | 0.06 | 0.07 | 0.07 | 0.07 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 100 | 100 | 1 | 1 | 1 | 1.17 | 1.17 | 1.67 | 1.67 | 1.57 | 1.83 | 2.17 | 0 | 2 | 0 | 0 | 0 |
635 | libqmcwfs.so - TwoBodyJastrowRef.h:342-347 | miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::acceptMove(qmcplusplus::ParticleSet&, int) | Single | 0.15 | 0.15 | 0.15 | 0.15 | 0.14 | 0.14 | 0.14 | 0.07 | 0.1 | 0.1 | 0.11 | 0.11 | 0.11 | 0.1 | 0.06 | 0.07 | 0.07 | 0.07 | 0.06 | 0.07 | 0.07 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 100 | 100 | 1 | 1 | 1 | 1.17 | 1.67 | 1.43 | 1.57 | 1.83 | 1.57 | 1.43 | 0 | 5 | 0 | 0 | 0 |
638 | libqmcwfs.so - TwoBodyJastrowRef.h:324-331 | miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::acceptMove(qmcplusplus::ParticleSet&, int) | Single | 0.13 | 0.15 | 0.18 | 0.15 | 0.16 | 0.15 | 0.16 | 0.07 | 0.09 | 0.11 | 0.12 | 0.15 | 0.13 | 0.12 | 0.06 | 0.07 | 0.08 | 0.07 | 0.07 | 0.07 | 0.08 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 100 | 100 | 1 | 1 | 1 | 1.4 | 1.29 | 1.38 | 1.71 | 2.14 | 1.86 | 1.71 | 0 | 8 | 0 | 0 | 0 |
617 | libqmcwfs.so - TwoBodyJastrowRef.h:155-156 | miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector<double, 3u>&) | Single | 0.1 | 0.08 | 0.07 | 0.08 | 0.07 | 0.08 | 0.07 | 0.05 | 0.05 | 0.05 | 0.07 | 0.06 | 0.07 | 0.07 | 0.04 | 0.03 | 0.03 | 0.04 | 0.03 | 0.04 | 0.03 | 4 | 8 | 16 | 32 | 64 | 127 | 190 | 100 | 100 | 1 | 1 | 1 | 1.25 | 1.67 | 1.67 | 2.33 | 2 | 1.75 | 2.33 | 0 | 2 | 0 | 0 | 0 |
39 | exec - NonLocalPP.hpp:126-135 [...] | .omp_outlined..64 | InBetween | 0.09 | 0.09 | 0.06 | 0.08 | 0.08 | 0.07 | 0.07 | 0.05 | 0.05 | 0.04 | 0.07 | 0.07 | 0.09 | 0.07 | 0.04 | 0.04 | 0.03 | 0.04 | 0.04 | 0.03 | 0.03 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 0 | 11.74 | 3.62 | 1 | 4.37 | 1.25 | 1.25 | 1.33 | 2.33 | 2.33 | 3 | 2.33 | 2 | 1.33 | 4 | 2.33 | 0.67 |
615 | libqmcwfs.so - TwoBodyJastrowRef.h:155-156 | miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector<double, 3u>&) | Single | 0.09 | 0.07 | 0.08 | 0.07 | 0.07 | 0.07 | 0.07 | 0.05 | 0.04 | 0.05 | 0.05 | 0.06 | 0.08 | 0.08 | 0.04 | 0.03 | 0.03 | 0.03 | 0.03 | 0.03 | 0.04 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 100 | 100 | 1 | 1 | 1 | 1.25 | 1.33 | 1.67 | 1.67 | 2 | 2.67 | 2 | 0 | 2 | 0 | 0 | 0 |
895 | libqmcwfs.so - inner_product.hpp:155-155 [...] | miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib<qmcplusplus::TinyVector<double, 3u>, std::allocator<qmcplusplus::TinyVector&l... | Innermost | 0.09 | 0.13 | 0.11 | 0.09 | 0.12 | 0.11 | 0.11 | 0.04 | 0.07 | 0.07 | 0.07 | 0.07 | 0.09 | 0.09 | 0.04 | 0.06 | 0.05 | 0.04 | 0.05 | 0.06 | 0.05 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 100 | 100 | 1 | 1 | 1 | 1 | 1.4 | 1.4 | 1.75 | 1.4 | 1.8 | 1.8 | 0 | 2 | 0 | 0 | 0 |
616 | libqmcwfs.so - TwoBodyJastrowRef.h:155-156 | miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector<double, 3u>&) | Single | 0.07 | 0.06 | 0.08 | 0.07 | 0.07 | 0.07 | 0.08 | 0.03 | 0.05 | 0.05 | 0.06 | 0.06 | 0.09 | 0.07 | 0.03 | 0.03 | 0.03 | 0.03 | 0.03 | 0.04 | 0.04 | 4 | 8 | 16 | 32 | 63 | 128 | 192 | 100 | 100 | 1 | 1 | 1 | 1 | 1.67 | 1.67 | 2 | 2 | 2.25 | 1.75 | 0 | 2 | 0 | 0 | 0 |
450 | libqmcwfs.so - BsplineFunctor.h:302-336 [...] | qmcplusplus::BsplineFunctor<double>::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const | Single | 0.06 | 0.07 | 0.06 | 0.06 | 0.05 | 0.06 | 0.06 | 0.03 | 0.04 | 0.04 | 0.06 | 0.06 | 0.06 | 0.06 | 0.02 | 0.03 | 0.03 | 0.03 | 0.03 | 0.03 | 0.03 | 4 | 8 | 16 | 31 | 64 | 128 | 190 | 61.45 | 53.31 | 1.01 | 1 | 1.27 | 1.5 | 1.33 | 1.33 | 2 | 3 | 2 | 2 | 1 | 2 | 0 | 0 | 7 |
455 | libqmcwfs.so - stl_algobase.h:911-912 | qmcplusplus::Vector<qmcplusplus::TinyVector<double, 3u>, std::allocator<qmcplusplus::TinyVector<double, 3u> > >::resize(unsigned long, qmcplusplus::TinyVector<double, 3u>) | Single | 0.06 | 0.06 | 0.06 | 0.05 | 0.05 | 0.05 | 0.05 | 0.04 | 0.04 | 0.05 | 0.04 | 0.04 | 0.04 | 0.05 | 0.03 | 0.03 | 0.03 | 0.02 | 0.02 | 0.03 | 0.02 | 4 | 8 | 15 | 32 | 64 | 127 | 190 | 50 | 18.75 | 1.33 | 1 | 3.56 | 2 | 1.33 | 1.67 | 2 | 2 | 1.33 | 2.5 | 1 | 0 | 1 | 0 | 0 |
905 | libqmcwfs.so - inner_product.hpp:155-155 [...] | miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector<double, 3u>&) | Single | 0.06 | 0.06 | 0.05 | 0.06 | 0.06 | 0.06 | 0.06 | 0.03 | 0.04 | 0.04 | 0.05 | 0.04 | 0.05 | 0.05 | 0.03 | 0.03 | 0.02 | 0.03 | 0.03 | 0.03 | 0.03 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 100 | 100 | 1 | 1 | 1 | 1 | 2 | 2 | 1.67 | 1.33 | 1.67 | 1.67 | 0 | 2 | 0 | 0 | 0 |
896 | libqmcwfs.so - inner_product.hpp:82-83 | miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib<qmcplusplus::TinyVector<double, 3u>, std::allocator<qmcplusplus::TinyVector&l... | Innermost | 0.05 | 0.03 | 0.04 | 0.04 | 0.04 | 0.04 | 0.04 | 0.03 | 0.02 | 0.04 | 0.04 | 0.04 | 0.06 | 0.05 | 0.02 | 0.01 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 4 | 7 | 16 | 32 | 63 | 124 | 186 | 100 | 100 | 1 | 1 | 1 | 1.5 | 1 | 2 | 2 | 2 | 3 | 2.5 | 0 | 2 | 0 | 0 | 0 |
662 | libqmcwfs.so - TwoBodyJastrowRef.h:381-382 | miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib<qmcplusplus::TinyVector<double, 3u>, std::allocator<qmcplusplus::TinyVector<double, ... | Innermost | 0.05 | 0.05 | 0.04 | 0.04 | 0.04 | 0.04 | 0.04 | 0.03 | 0.03 | 0.03 | 0.05 | 0.04 | 0.05 | 0.05 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 4 | 8 | 16 | 31 | 64 | 127 | 189 | 100 | 100 | 1 | 1 | 1 | 1.5 | 1.5 | 1.5 | 2.5 | 2 | 2.5 | 2.5 | 1 | 2 | 0 | 0 | 0 |
660 | libqmcwfs.so - TwoBodyJastrowRef.h:381-382 | miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib<qmcplusplus::TinyVector<double, 3u>, std::allocator<qmcplusplus::TinyVector<double, ... | Innermost | 0.04 | 0.05 | 0.04 | 0.04 | 0.04 | 0.04 | 0.04 | 0.02 | 0.04 | 0.03 | 0.04 | 0.04 | 0.04 | 0.05 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 4 | 8 | 16 | 31 | 64 | 126 | 187 | 100 | 100 | 1 | 1 | 1 | 1 | 2 | 1.5 | 2 | 2 | 2 | 2.5 | 0 | 2 | 0 | 0 | 0 |
904 | libqmcwfs.so - inner_product.hpp:82-83 | miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector<double, 3u>&) | Single | 0.03 | 0.03 | 0.05 | 0.04 | 0.04 | 0.04 | 0.04 | 0.02 | 0.03 | 0.04 | 0.04 | 0.04 | 0.05 | 0.05 | 0.01 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 4 | 8 | 16 | 32 | 63 | 127 | 190 | 100 | 100 | 1 | 1 | 1 | 2 | 3 | 2 | 2 | 2 | 2.5 | 2.5 | 0 | 2 | 0 | 0 | 0 |
447 | libqmcwfs.so - BsplineFunctor.h:246-260 [...] | qmcplusplus::BsplineFunctor<double>::evaluateV(int, int, int, double const*, double*) const | Single | 0.03 | 0.06 | 0.05 | 0.06 | 0.05 | 0.06 | 0.05 | 0.02 | 0.06 | 0.04 | 0.05 | 0.05 | 0.05 | 0.06 | 0.01 | 0.03 | 0.02 | 0.03 | 0.02 | 0.03 | 0.03 | 4 | 8 | 16 | 32 | 63 | 126 | 189 | 56.46 | 28.4 | 1 | 0.84 | 1.39 | 2 | 2 | 2 | 1.67 | 2.5 | 1.67 | 2 | 0 | 1 | 0 | 0 | 8 |
209 | libqmcwfs.so - stl_algobase.h:923-924 | qmcplusplus::Vector<double, std::allocator<double> >::resize(unsigned long, double) | Single | 0.03 | 0.05 | 0.04 | 0.04 | 0.04 | 0.04 | 0.05 | 0.03 | 0.03 | 0.03 | 0.04 | 0.04 | 0.05 | 0.05 | 0.01 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 4 | 8 | 16 | 31 | 64 | 126 | 190 | 100 | 100 | 1 | 1 | 1 | 3 | 1.5 | 1.5 | 2 | 2 | 2.5 | 2.5 | 0 | 0 | 0 | 0 | 1 |
625 | libqmcwfs.so - stl_numeric.h:141-141 | miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector<double, 3u>&) | Single | 0.03 | 0.02 | 0.04 | 0.03 | 0.03 | 0.03 | 0.03 | 0.02 | 0.04 | 0.04 | 0.03 | 0.03 | 0.03 | 0.04 | 0.01 | 0.01 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 3 | 6 | 15 | 30 | 62 | 120 | 180 | 100 | 100 | 1 | 1 | 1 | 2 | 4 | 2 | 1.5 | 3 | 3 | 4 | 0 | 1 | 0 | 0 | 0 |
659 | libqmcwfs.so - TwoBodyJastrowRef.h:381-382 | miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib<qmcplusplus::TinyVector<double, 3u>, std::allocator<qmcplusplus::TinyVector<double, ... | Innermost | 0.02 | 0.05 | 0.04 | 0.04 | 0.05 | 0.04 | 0.04 | 0.02 | 0.03 | 0.03 | 0.04 | 0.04 | 0.05 | 0.04 | 0.01 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 3 | 8 | 15 | 32 | 64 | 126 | 188 | 100 | 100 | 1 | 1 | 1 | 2 | 1.5 | 1.5 | 2 | 2 | 2.5 | 2 | 0 | 2 | 0 | 0 | 0 |
656 | libqmcwfs.so - TwoBodyJastrowRef.h:388-391 | miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib<qmcplusplus::TinyVector<double, 3u>, std::allocator<qmcplusplus::TinyVector<double, ... | Innermost | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0.03 | 0.02 | 0.01 | 0.02 | 0.03 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 4 | 7 | 13 | 27 | 45 | 95 | 136 | 93.33 | 94.17 | 1.04 | 1 | 1.03 | 3 | 2 | 1 | 2 | 3 | 2 | 2 | 2 | 5 | 0 | 0 | 0 |
842 | libqmcwfs.so - MultiBsplineRef.hpp:227-262 [...] | miniqmcreference::einspline_spo_ref<double>::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector<double, std::allocator<double> >&, qmcplusplus::Vector<qmcplusplus::TinyVector<double, 3u>, std::allocator<... | InBetween | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0.03 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 4 | 9 | 15 | 31 | 68 | 111 | 44.79 | 33.24 | 2.11 | 1.37 | 1.54 | 1 | 1 | 2 | 1 | 2 | 3 | 2 | NA | NA | NA | NA | NA |
717 | libqmcwfs.so - OneBodyJastrowRef.h:192-193 | miniqmcreference::OneBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib<qmcplusplus::TinyVector<double, 3u>, std::allocator<qmcplusplus::TinyVector<double, ... | Innermost | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0.01 | 0.02 | 0.02 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 5 | 8 | 22 | 43 | 72 | 126 | 100 | 100 | 1 | 1 | 1 | 2 | 1 | 2 | 1 | 2 | 2 | 2 | 0 | 2 | 0 | 0 | 0 |
43 | exec - miniqmc.cpp:429-458 [...] | .omp_outlined..64 | Innermost | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0.03 | 0.03 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 1 | 4 | 12 | 21 | 45 | 102 | 149 | 8.39 | 12.12 | 2.67 | 1 | 5.1 | 1 | 1 | 2 | 1 | 2 | 3 | 3 | 2 | 1 | 0 | 1 | 1 |
7 | libqmcwfs.so - inner_product.hpp:82-83 [...] | qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector<double, std::allocator<double> >&, qmcplusplus::Vector<double, std::allocator<double> > const&, std::vector<double, st... | Outermost | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 5 | 8 | 16 | 31 | 71 | 102 | 46.34 | 24.24 | 1.89 | 1.05 | 1.32 | 0 | 0 | 1 | 1 | 1 | 2 | 2 | NA | NA | NA | NA | NA |
822 | libqmcwfs.so - MultiBsplineRef.hpp:63-71 [...] | miniqmcreference::einspline_spo_ref<double>::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector<double, std::allocator<double> >&) | InBetween | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 5 | 8 | 19 | 33 | 53 | 86 | 0 | 11.35 | 2.47 | 1.83 | 5.98 | 0 | 1 | 1 | 1 | 2 | 1 | 2 | NA | NA | NA | NA | NA |
654 | libqmcwfs.so - TwoBodyJastrowRef.h:397-398 | miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib<qmcplusplus::TinyVector<double, 3u>, std::allocator<qmcplusplus::TinyVector<double, ... | Innermost | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 4 | 6 | 10 | 15 | 38 | 65 | 116 | 100 | 100 | 1 | 1 | 1 | 0 | 1 | 1 | 2 | 1 | 2 | 2 | 0 | 3 | 0 | 0 | 0 |
821 | libqmcwfs.so - MultiBsplineRef.hpp:42-71 [...] | miniqmcreference::einspline_spo_ref<double>::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector<double, std::allocator<double> >&) | Outermost | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.02 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 5 | 11 | 17 | 42 | 84 | 103 | 32.17 | 20.72 | 1.83 | 2.04 | 1.71 | 0 | 1 | 1 | 1 | 2 | 2 | 2 | NA | NA | NA | NA | NA |
79 | libqmcparticle_omptarget.so - stl_algobase.h:923-924 | qmcplusplus::Vector<double, qmcplusplus::OMPallocator<double, qmcplusplus::Mallocator<double, 64ul> > >::resize(unsigned long, double) | Single | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.03 | 0.02 | 0.01 | 0.01 | 0 | 0.01 | 0.01 | 0 | 0 | 3 | 6 | 9 | 22 | 44 | 81 | 104 | 100 | 100 | 1 | 1 | 1 | 1 | 1 | 1 | 2 | 2 | 3 | 2 | 0 | 0 | 0 | 0 | 1 |
40 | exec - NonLocalPP.hpp:131-132 [...] | .omp_outlined..64 | Innermost | 0.01 | 0.02 | 0.02 | 0.01 | 0.02 | 0.01 | 0.01 | 0 | 0.01 | 0.02 | 0.02 | 0.02 | 0.02 | 0.03 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 2 | 6 | 12 | 24 | 48 | 96 | 139 | 30 | 16.25 | 1.13 | 1.45 | 3.68 | 0 | 1 | 2 | 2 | 2 | 2 | 3 | 5 | 0 | 2 | 4 | 1 |
837 | libqmcwfs.so - MultiBsplineRef.hpp:187-286 [...] | miniqmcreference::einspline_spo_ref<double>::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector<double, std::allocator<double> >&, qmcplusplus::Vector<qmcplusplus::TinyVector<double, 3u>, std::allocator<... | Outermost | 0.01 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.02 | 0.02 | 0.02 | 0.02 | 0.03 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 1 | 7 | 13 | 25 | 45 | 95 | 153 | 35.42 | 25.77 | 1.6 | 2.21 | 1.66 | 1 | 1 | 2 | 2 | 2 | 2 | 3 | NA | NA | NA | NA | NA |
454 | libqmcparticle_omptarget.so - SoaDistanceTableABOMPTarget.h:215-228 [...] | qmcplusplus::SoaDistanceTableABOMPTarget<double, 3u, 40>::evaluate(qmcplusplus::ParticleSet&) | InBetween | 0.01 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.01 | 0.02 | 0.02 | 0.02 | 0.03 | 0.04 | 0.04 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 2 | 6 | 14 | 22 | 54 | 109 | 160 | 0 | 11.59 | 4.67 | 1 | 6.63 | 1 | 2 | 2 | 2 | 3 | 4 | 4 | NA | NA | NA | NA | NA |
652 | libqmcwfs.so - TwoBodyJastrowRef.h:397-398 | miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib<qmcplusplus::TinyVector<double, 3u>, std::allocator<qmcplusplus::TinyVector<double, ... | Innermost | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 3 | 7 | 17 | 32 | 70 | 109 | 100 | 100 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 2 | 1 | 2 | 0 | 3 | 0 | 0 | 0 |
2 | libqmcutil.so - NewTimer.h:119-121 [...] | qmcplusplus::TimerType<std::chrono::_V2::system_clock>::stop() | Single | 0.01 | 0.02 | 0.04 | 0.04 | 0.04 | 0.04 | 0.04 | 0.02 | 0.01 | 0.04 | 0.04 | 0.07 | 0.05 | 0.04 | 0.01 | 0.01 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 1 | 6 | 15 | 31 | 63 | 125 | 186 | 0 | 12.5 | 1 | 1 | 8 | 1 | 1 | 2 | 2 | 3.5 | 2.5 | 2 | NA | NA | NA | NA | NA |
674 | libqmcwfs.so - TwoBodyJastrowRef.h:107-132 [...] | miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector<double, std::allocator<double> >&) | Outermost | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.02 | | 0 | 0 | 0 | 0 | 0 | 0 | | 4 | 8 | 19 | 25 | 73 | 113 | 8.33 | 12.11 | 2.28 | 1.9 | 5.38 | 0 | 1 | 1 | 1 | 2 | 2 | 2 | 2.5 | 0 | 0 | 5.5 | 0.5 |
739 | libqmcwfs.so - WaveFunction.cpp:198-201 [...] | qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector<double, 3u>&) | Single | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | | 0 | 0 | 0 | 0 | 0 | 0 | | 5 | 8 | 18 | 34 | 63 | 95 | 0 | 11.72 | 1.78 | 1.94 | 4.74 | 0 | 1 | 1 | 1 | 1 | 2 | 1 | 2 | 0 | 1 | 0 | 2 |