ID | Module | Source Location | 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 (%) | Flops (GFLOP/s) | CQA cycles | CQA cycles if no scalar integer | CQA cycles if FP arith vectorized | CQA cycles if fully vectorized | CQA cycles if FP only |
○Loop 748 | exec | MultiBsplineRef.hpp:68-70 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&) | Innermost | 27.55 | 26 | 23.1 | 1.00 | 1.50 | 4.00 | 1.00 | 1 | 100.00 | 25.00 | 225.80 | 2.50 | 2.50 | 1.67 | 0.63 | 2.50 |
○Loop 762 | exec | TinyVector.h:61-61,MultiBsplineRef.hpp:242-262 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&) | Innermost | 14.6 | 11.52 | 10.23 | 1.00 | 2.00 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 473.86 | 11.50 | 11.50 | 5.75 | 5.75 | 11.50 |
○Loop 1964 | exec | SoaDistanceTableABOMPTarget.h:228-228,ParticleBConds3DSoa.h:280-298 | qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&) | Innermost | 9.86 | 9.27 | 8.24 | 1.00 | 3.00 | 6.67 | 1.00 | 1 | 25.00 | 15.63 | 264.80 | 15.00 | 15.00 | 5.00 | 2.25 | 15.00 |
○Loop 1724 | exec | OhmmsVector.h:223-223,TinyVector.h:182-182,SoaDistanceTableAAOMPTarget.h:440-442,VectorSoAContainer.h:244-244,VectorSoAContainer.h:263-263 | qmcplusplus::SoaDistanceTableAAOMPTarget::update(int) | Single | 8.22 | 7.49 | 6.65 | 1.54 | 1.00 | 8.00 | 3.33 | 1 | 54.55 | 15.91 | 0.00 | 3.33 | 2.17 | 3.33 | 0.42 | 1.00 |
○Loop 761 | exec | MultiBsplineRef.hpp:242-242,MultiBsplineRef.hpp:253-261 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&) | Innermost | 6.85 | 5.63 | 5 | 1.00 | 1.06 | 2.00 | 1.41 | 1 | 100.00 | 50.00 | 483.29 | 6.33 | 6.33 | 6.00 | 3.17 | 4.50 |
○Loop 1227 | exec | ParticleBConds3DSoa.h:235-256 | void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer > >(qmcplusplus::TinyVector const&, qmcplusplus::VectorSoAContainer > const&, double*, qmcplusplus::VectorSoAContainer >&, int, int, int) const | Single | 2.5 | 1.98 | 1.76 | 1.00 | 1.67 | 1.67 | 1.00 | 1 | 94.64 | 47.99 | 1085.09 | 30.00 | 30.00 | 18.00 | 18.00 | 30.00 |
○Loop 252 | exec | BsplineFunctor.h:236-241 | qmcplusplus::BsplineFunctor::evaluateV(int, int, int, double const*, double*) const | Single | 2.15 | 1.7 | 1.51 | 1.00 | 1.00 | 11.16 | 1.47 | 6561 | 0.00 | 11.16 | 0.18 | 12.50 | 12.50 | 12.50 | 1.12 | 8.50 |
○Loop 2247 | exec | | __intel_avx_rep_memset | Single | 1.44 | 1.23 | 1.09 | 1.00 | 1.00 | 2.00 | 4.00 | 1 | 100.00 | 50.00 | 0.26 | 4.00 | 4.00 | 4.00 | 2.00 | 1.00 |
○Loop 760 | exec | TinyVector.h:61-61,MultiBsplineRef.hpp:242-242 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&) | InBetween | 1.25 | 1.01 | 0.9 | 3.74 | 1.00 | 6.68 | 15.47 | 9 | 38.64 | 22.37 | 292.69 | 38.67 | 10.33 | 38.67 | 5.79 | 2.50 |
○Loop 750 | exec | OhmmsVector.h:223-223,TinyVector.h:145-145,VectorSoAContainer.h:231-231,VectorSoAContainer.h:271-271,stl_algobase.h:200-200,einspline_spo_ref.hpp:223-227,stl_vector.h:933-933 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&) | Innermost | 1.13 | 0.91 | 0.81 | 2.11 | 1.00 | 12.67 | 5.43 | 1 | 0.00 | 11.93 | 0.00 | 6.33 | 3.00 | 6.33 | 0.50 | 1.17 |
○Loop 275 | exec | TwoBodyJastrowRef.h:342-347 | miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int) | Innermost | 1.07 | 0.89 | 0.79 | 1.00 | 1.33 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 213.66 | 4.00 | 4.00 | 3.00 | 2.00 | 4.00 |
○Loop 866 | exec | DiracDeterminantRef.cpp:157-157,OperatorTags.h:63-63,inner_product.hpp:155-155 | miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.81 | 0.62 | 0.55 | 1.00 | 1.73 | 6.40 | 1.00 | 1 | 33.33 | 16.67 | 102.00 | 16.00 | 16.00 | 9.25 | 2.50 | 16.00 |
○Loop 248 | exec | BsplineFunctor.h:291-298 | qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const | Single | 0.75 | 0.62 | 0.55 | 1.18 | 1.00 | 12.53 | 1.70 | 81 | 0.00 | 9.94 | 0.03 | 7.67 | 6.50 | 7.67 | 0.61 | 4.50 |
○Loop 853 | exec | TinyVector.h:61-61,OperatorTags.h:63-63,inner_product.hpp:155-155 | miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int) | Single | 0.72 | 0.59 | 0.52 | 1.00 | 1.73 | 6.40 | 1.00 | 1 | 33.33 | 16.67 | 108.63 | 16.00 | 16.00 | 9.25 | 2.50 | 16.00 |
○Loop 753 | exec | MultiBsplineRef.hpp:276-286 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&) | Innermost | 0.45 | 0.36 | 0.32 | 1.00 | 1.07 | 2.00 | 1.07 | 1 | 100.00 | 50.00 | 305.85 | 4.83 | 4.83 | 4.50 | 2.42 | 4.50 |
○Loop 765 | exec | inner_product.hpp:82-83 | qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&) | Innermost | 0.46 | 0.36 | 0.32 | 1.00 | 1.54 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 234.25 | 4.00 | 4.00 | 2.60 | 2.00 | 4.00 |
○Loop 278 | exec | TwoBodyJastrowRef.h:324-331 | miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int) | Single | 0.47 | 0.36 | 0.32 | 1.00 | 1.31 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 263.08 | 3.50 | 3.50 | 2.67 | 1.75 | 3.50 |
○Loop 868 | exec | inner_product.hpp:82-83 | miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.46 | 0.28 | 0.25 | 1.00 | 1.54 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 75.39 | 4.00 | 4.00 | 2.60 | 2.00 | 4.00 |
○Loop 854 | exec | DiracDeterminantRef.cpp:109-109,OperatorTags.h:63-63,inner_product.hpp:155-155 | miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.41 | 0.27 | 0.24 | 1.00 | 1.73 | 6.40 | 1.00 | 1 | 33.33 | 16.67 | 234.17 | 16.00 | 16.00 | 9.25 | 2.50 | 16.00 |
○Loop 269 | exec | TwoBodyJastrowRef.h:155-156 | miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.23 | 0.15 | 0.13 | 1.00 | 1.54 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 279.49 | 4.00 | 4.00 | 2.60 | 2.00 | 4.00 |
○Loop 265 | exec | TwoBodyJastrowRef.h:155-156 | miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.23 | 0.15 | 0.13 | 1.00 | 1.54 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 277.59 | 4.00 | 4.00 | 2.60 | 2.00 | 4.00 |
○Loop 835 | exec | inner_product.hpp:211-212 | qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&) | Innermost | 0.32 | 0.15 | 0.13 | 1.00 | 1.00 | 3.03 | 7.33 | 1 | 66.67 | 31.25 | 0.00 | 7.33 | 7.33 | 7.33 | 2.42 | 1.00 |
○Loop 267 | exec | TwoBodyJastrowRef.h:155-156 | miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.22 | 0.14 | 0.13 | 1.00 | 1.54 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 303.10 | 4.00 | 4.00 | 2.60 | 2.00 | 4.00 |
○Loop 250 | exec | BsplineFunctor.h:246-260,stl_vector.h:951-951 | qmcplusplus::BsplineFunctor::evaluateV(int, int, int, double const*, double*) const | Single | 0.18 | 0.12 | 0.1 | 1.00 | 1.23 | 3.33 | 1.46 | 1 | 55.26 | 30.26 | 515.62 | 23.33 | 23.33 | 19.00 | 7.00 | 16.00 |
○Loop 851 | exec | DiracDeterminantRef.cpp:238-238,OperatorTags.h:63-63,inner_product.hpp:155-155 | miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&) | Innermost | 0.18 | 0.11 | 0.1 | 1.00 | 1.73 | 6.40 | 1.00 | 1 | 33.33 | 16.67 | 116.08 | 16.00 | 16.00 | 9.25 | 2.50 | 16.00 |
○Loop 857 | exec | inner_product.hpp:82-83 | miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.16 | 0.1 | 0.09 | 1.00 | 1.54 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 210.05 | 4.00 | 4.00 | 2.60 | 2.00 | 4.00 |
○Loop 246 | exec | BsplineFunctor.h:303-338,stl_vector.h:951-951 | qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const | Single | 0.14 | 0.07 | 0.06 | 1.00 | 1.44 | 2.72 | 1.70 | 1 | 64.34 | 34.30 | 806.59 | 34.00 | 34.00 | 23.58 | 12.50 | 20.00 |
○Loop 271 | exec | stl_numeric.h:126-127,stl_iterator.h:887-887 | miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.11 | 0.07 | 0.06 | 1.00 | 1.78 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 302.19 | 3.00 | 3.00 | 1.69 | 1.50 | 3.00 |
○Loop 50 | exec | OhmmsVector.h:229-229,NonLocalPP.hpp:126-126,NonLocalPP.hpp:129-135,stl_vector.h:806-806,stl_vector.h:933-933,unique_ptr.h:150-150 | qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&) | InBetween | 0.1 | 0.06 | 0.05 | 2.48 | 1.00 | 12.15 | 3.42 | 3 | 0.00 | 11.70 | 0.51 | 4.56 | 1.83 | 4.56 | 0.38 | 1.33 |
○Loop 286 | exec | TwoBodyJastrowRef.h:393-398 | miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.08 | 0.04 | 0.04 | 1.00 | 1.00 | 8.00 | 1.56 | 1 | 0.00 | 12.50 | 318.36 | 4.67 | 4.67 | 4.67 | 0.58 | 3.00 |
○Loop 755 | exec | TinyVector.h:61-61,MultiBsplineRef.hpp:227-227,MultiBsplineRef.hpp:234-239,MultiBsplineRef.hpp:242-242,MultiBsplineRef.hpp:253-258 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&) | InBetween | 0.08 | 0.04 | 0.03 | 2.52 | 1.10 | 5.24 | 5.96 | 14 | 23.68 | 18.97 | 20.46 | 26.83 | 10.67 | 24.50 | 5.13 | 4.50 |
○Loop 849 | exec | inner_product.hpp:82-83 | miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&) | Innermost | 0.07 | 0.03 | 0.03 | 1.00 | 1.54 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 139.74 | 4.00 | 4.00 | 2.60 | 2.00 | 4.00 |
○Loop 751 | exec | TinyVector.h:61-61,MultiBsplineEvalHelper.hpp:45-47,VectorSoAContainer.h:265-265,MultiBsplineRef.hpp:187-192,MultiBsplineRef.hpp:198-202,MultiBsplineRef.hpp:229-229,MultiBsplineRef.hpp:244-244,MultiBsplineRef.hpp:249-251,MultiBsplineRef.hpp:255-258,MultiBsplineRef.hpp:269-286,stl_algobase.h:695-696,einspline_spo_ref.hpp:206-207,stl_vector.h:933-933,stl_vector.h:1056-1056,MultiBsplineData.hpp:68-79 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&) | Outermost | 0.05 | 0.02 | 0.02 | 1.98 | 1.84 | 7.98 | 2.27 | 112 | 33.21 | 18.61 | 23.28 | 83.00 | 41.83 | 45.13 | 10.40 | 36.50 |
○Loop 876 | exec | stl_algobase.h:740-742 | miniqmcreference::DiracDeterminantRef >::resize(int, int) | Single | 0.04 | 0.02 | 0.02 | 1.00 | 1.00 | 2.00 | 3.00 | 1 | 100.00 | 50.00 | 0.00 | 3.00 | 3.00 | 3.00 | 1.50 | 1.00 |
○Loop 292 | exec | TwoBodyJastrowRef.h:381-382 | miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.06 | 0.02 | 0.02 | 1.00 | 1.54 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 212.93 | 4.00 | 4.00 | 2.60 | 2.00 | 4.00 |
○Loop 189 | exec | OneBodyJastrowRef.h:186-187 | miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.05 | 0.02 | 0.02 | 1.00 | 1.67 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 254.61 | 7.00 | 7.00 | 4.20 | 3.50 | 7.00 |
○Loop 230 | exec | stl_algobase.h:752-754 | qmcplusplus::Vector >::resize(unsigned long, double) | Single | 0.04 | 0.02 | 0.02 | 1.00 | 1.00 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 0.00 | 1.00 | 1.00 | 1.00 | 0.50 | 1.00 |
○Loop 290 | exec | TwoBodyJastrowRef.h:381-382 | miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.05 | 0.02 | 0.02 | 1.00 | 1.54 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 209.93 | 4.00 | 4.00 | 2.60 | 2.00 | 4.00 |
○Loop 294 | exec | TwoBodyJastrowRef.h:381-382 | miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.05 | 0.02 | 0.02 | 1.00 | 1.54 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 205.98 | 4.00 | 4.00 | 2.60 | 2.00 | 4.00 |
○Loop 296 | exec | TwoBodyJastrowRef.h:375-376 | miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.04 | 0.02 | 0.02 | 1.00 | 1.67 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 317.16 | 7.00 | 7.00 | 4.20 | 3.50 | 7.00 |
○Loop 28 | exec | refwrap.h:313-313,TinyVector.h:62-62,miniqmc.cpp:429-458,stl_vector.h:933-933 | main.extracted.110 | Innermost | 0.05 | 0.02 | 0.01 | 2.76 | 1.00 | 13.12 | 3.34 | 2 | 7.74 | 11.77 | 0.03 | 10.58 | 3.83 | 10.58 | 0.81 | 3.17 |
○Loop 288 | exec | TwoBodyJastrowRef.h:388-391 | miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.03 | 0.02 | 0.01 | 1.00 | 1.20 | 2.00 | 1.33 | 1 | 100.00 | 50.00 | 422.51 | 2.00 | 2.00 | 1.67 | 1.00 | 1.50 |
○Loop 181 | exec | OneBodyJastrowRef.h:192-193 | miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.03 | 0.01 | 0.01 | 1.00 | 1.54 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 366.66 | 4.00 | 4.00 | 2.60 | 2.00 | 4.00 |
○Loop 185 | exec | OneBodyJastrowRef.h:192-193 | miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.04 | 0.01 | 0.01 | 1.00 | 1.54 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 354.61 | 4.00 | 4.00 | 2.60 | 2.00 | 4.00 |
○Loop 244 | exec | OneBodyJastrowRef.h:214-219,shared_ptr_base.h:1308-1308,OhmmsVector.h:223-223,ParticleSet.h:313-316,stl_vector.h:933-933,stl_vector.h:1056-1056 | miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*) | Single | 0.03 | 0.01 | 0.01 | 1.00 | 1.00 | 12.04 | 3.00 | 2 | 0.00 | 11.61 | 1.50 | 3.00 | 3.00 | 3.00 | 0.25 | 1.00 |
○Loop 51 | exec | OhmmsVector.h:229-229,NonLocalPP.hpp:131-132,TinyVector.h:145-145,VectorSoAContainer.h:231-231,OperatorTags.h:43-43,OperatorTags.h:63-63,stl_vector.h:806-806,stl_vector.h:933-933 | qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&) | Innermost | 0.03 | 0.01 | 0.01 | 1.00 | 1.69 | 7.06 | 2.14 | 1 | 30.00 | 16.25 | 3.90 | 5.00 | 5.00 | 2.96 | 0.71 | 2.33 |
○Loop 1076 | exec | ParticleSet.cpp:242-243,stl_vector.h:806-806,unique_ptr.h:150-150 | qmcplusplus::ParticleSet::update(bool) | Single | 0.03 | 0.01 | 0.01 | 1.00 | 1.00 | 8.00 | 2.00 | 1 | 0.00 | 12.50 | 0.00 | 2.00 | 2.00 | 2.00 | 0.25 | 1.00 |
○Loop 754 | exec | MultiBsplineRef.hpp:226-226,MultiBsplineRef.hpp:234-236,MultiBsplineRef.hpp:250-250 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&) | InBetween | 0.03 | 0.01 | 0.01 | 4.50 | 1.00 | 8.00 | 7.20 | 14 | 0.00 | 12.50 | 3.50 | 12.00 | 2.67 | 12.00 | 1.50 | 1.67 |
○Loop 184 | exec | OneBodyJastrowRef.h:192-193 | miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.03 | 0.01 | 0.01 | 1.00 | 1.54 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 357.41 | 4.00 | 4.00 | 2.60 | 2.00 | 4.00 |
○Loop 745 | exec | MultiBsplineEvalHelper.hpp:45-47,MultiBsplineRef.hpp:42-44,MultiBsplineRef.hpp:47-49,MultiBsplineRef.hpp:56-58,MultiBsplineRef.hpp:67-71,stl_algobase.h:200-200,stl_algobase.h:695-696,einspline_spo_ref.hpp:175-176,stl_vector.h:1056-1056,MultiBsplineData.hpp:54-57 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&) | Outermost | 0.03 | 0.01 | 0.01 | 1.36 | 2.02 | 7.18 | 1.56 | 10 | 17.07 | 14.63 | 30.10 | 32.00 | 23.50 | 15.86 | 4.45 | 20.50 |
○Loop 300 | exec | refwrap.h:313-313,OhmmsVector.h:223-223,OhmmsVector.h:229-229,OhmmsVector.h:249-249,TwoBodyJastrowRef.h:107-108,TwoBodyJastrowRef.h:126-127,optional:897-897,optional:1213-1213,stl_vector.h:806-806,stl_vector.h:933-933,stl_vector.h:951-951 | miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&) | Outermost | 0.03 | 0.01 | 0.01 | 2.28 | 2.69 | 21.90 | 3.04 | 2 | 8.39 | 11.87 | 13.75 | 6.08 | 2.67 | 2.27 | 0.28 | 2.00 |
○Loop 245 | exec | BsplineFunctor.h:303-338 | qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const | Single | 0.03 | 0.01 | 0.01 | 1.00 | 2.40 | 6.90 | 1.00 | 1 | 43.30 | 19.46 | 184.31 | 25.00 | 25.00 | 10.42 | 3.63 | 25.00 |
○Loop 223 | exec | OneBodyJastrowRef.h:134-135,OneBodyJastrowRef.h:141-141,OneBodyJastrowRef.h:151-153,OhmmsVector.h:223-223,OhmmsVector.h:229-229,OhmmsVector.h:249-249,stl_vector.h:806-806,stl_vector.h:933-933,stl_vector.h:951-951 | miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&) | Outermost | 0.03 | 0.01 | 0.01 | 3.21 | 2.57 | 12.51 | 5.00 | 6 | 17.65 | 13.97 | 0.15 | 7.50 | 2.33 | 2.92 | 0.60 | 1.50 |
○Loop 746 | exec | MultiBsplineRef.hpp:63-63,MultiBsplineRef.hpp:66-66,MultiBsplineRef.hpp:70-71 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&) | InBetween | 0.02 | 0.01 | 0 | NA | NA | NA | NA | NA | NA | NA | 329.11 | NA | NA | NA | NA | NA |
○Loop 249 | exec | BsplineFunctor.h:246-260 | qmcplusplus::BsplineFunctor::evaluateV(int, int, int, double const*, double*) const | Single | 0.03 | 0.01 | 0 | NA | NA | NA | NA | NA | NA | NA | 270.71 | NA | NA | NA | NA | NA |
○Loop 298 | exec | stl_numeric.h:126-127,stl_iterator.h:887-887 | miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.04 | 0.01 | 0 | NA | NA | NA | NA | NA | NA | NA | 205.26 | NA | NA | NA | NA | NA |
○Loop 74 | exec | refwrap.h:313-313,OperatorTags.h:94-94,WaveFunction.cpp:185-188,stl_vector.h:806-806,stl_vector.h:933-933,NewTimer.h:242-242,NewTimer.h:249-249 | qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int) | Single | 0.03 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 49 | exec | OhmmsVector.h:229-229,NonLocalPP.hpp:122-122,NonLocalPP.hpp:126-126,TinyVector.h:170-170,VectorSoAContainer.h:231-231,ParticleSet.h:277-277,stl_vector.h:951-951 | qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&) | Outermost | 0.03 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 216 | exec | OneBodyJastrowRef.h:192-193 | miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.02 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 215 | exec | OneBodyJastrowRef.h:192-193 | miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.02 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 80 | exec | refwrap.h:313-313,WaveFunction.cpp:263-263,WaveFunction.cpp:269-269,WaveFunction.cpp:272-273,stl_vector.h:806-806,stl_vector.h:933-933,NewTimer.h:242-242,NewTimer.h:249-249 | qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&) | Outermost | 0.02 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 747 | exec | MultiBsplineRef.hpp:64-71 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&) | InBetween | 0.02 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 75 | exec | refwrap.h:313-313,WaveFunction.cpp:198-201,stl_vector.h:806-806,stl_vector.h:933-933,NewTimer.h:242-242,NewTimer.h:249-249 | qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.02 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 212 | exec | OneBodyJastrowRef.h:192-193 | miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.02 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1963 | exec | SoaDistanceTableABOMPTarget.h:214-215,SoaDistanceTableABOMPTarget.h:222-222,ParticleBConds3DSoa.h:284-286,ParticleBConds3DSoa.h:294-296 | qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&) | Outermost | 0.02 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1965 | exec | SoaDistanceTableABOMPTarget.h:215-217,SoaDistanceTableABOMPTarget.h:222-222,SoaDistanceTableABOMPTarget.h:228-228,ParticleBConds3DSoa.h:296-296 | qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&) | InBetween | 0.02 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 272 | exec | shared_ptr_base.h:1308-1308,OhmmsVector.h:223-223,TwoBodyJastrowRef.h:269-274,stl_algobase.h:200-200,ParticleSet.h:313-316 | miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.02 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 730 | exec | BsplineAllocator.hpp:179-180 | qmcplusplus::BsplineAllocator >::setCoefficientsForOrbitals(int, int, Array&, multi_UBspline_3d_d*) [clone .extracted] | Innermost | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 763 | exec | OhmmsVector.h:178-178,OhmmsVector.h:248-249,SPOSet.h:83-86,inner_product.hpp:82-83,stl_vector.h:933-933 | qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&) | Outermost | 0.02 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 280 | exec | shared_ptr_base.h:1308-1308,OhmmsVector.h:223-223,TwoBodyJastrowRef.h:269-274,stl_algobase.h:200-200,ParticleSet.h:313-316 | miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int) | Single | 0.03 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 924 | exec | stl_algobase.h:752-754 | qmcplusplus::Vector > >::resize(unsigned long, double) | Single | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 301 | exec | shared_ptr_base.h:1308-1308,OhmmsVector.h:223-223,TwoBodyJastrowRef.h:127-132,ParticleSet.h:313-316,stl_vector.h:1056-1056 | miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&) | Innermost | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 220 | exec | OneBodyJastrowRef.h:186-187 | miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 77 | exec | refwrap.h:313-313,WaveFunction.cpp:225-228,stl_vector.h:806-806,stl_vector.h:933-933,NewTimer.h:242-242,NewTimer.h:249-249 | qmcplusplus::WaveFunction::acceptMove(qmcplusplus::ParticleSet&, int) | Single | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1083 | exec | ParticleSet.cpp:343-344,stl_vector.h:806-806,unique_ptr.h:150-150 | qmcplusplus::ParticleSet::computeNewPosDistTables(int, qmcplusplus::TinyVector const&, bool) | Single | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 179 | exec | stl_numeric.h:126-127,stl_iterator.h:887-887 | miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.02 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1966 | exec | SoaDistanceTableABOMPTarget.h:194-196 | qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&) | Single | 0.02 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 284 | exec | OhmmsVector.h:223-223,OhmmsVector.h:229-229,OhmmsVector.h:249-249,TwoBodyJastrowRef.h:268-269,TwoBodyJastrowRef.h:364-364,TwoBodyJastrowRef.h:367-367,TwoBodyJastrowRef.h:375-376,TwoBodyJastrowRef.h:381-382,TwoBodyJastrowRef.h:386-393,TwoBodyJastrowRef.h:397-398,TwoBodyJastrowRef.h:420-420,VectorSoAContainer.h:244-244,VectorSoAContainer.h:263-263,VectorSoAContainer.h:273-273,stl_numeric.h:126-127,stl_algobase.h:752-754,stl_iterator.h:784-784,stl_iterator.h:887-887,DistanceTable.h:268-268,stl_vector.h:951-951,stl_vector.h:1056-1056 | miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | InBetween | 0.02 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 225 | exec | OneBodyJastrowRef.h:143-146,shared_ptr_base.h:1308-1308,OhmmsVector.h:223-223,ParticleSet.h:313-316,stl_vector.h:933-933,stl_vector.h:1056-1056 | miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&) | Innermost | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 744 | exec | stl_algobase.h:200-200,stl_algobase.h:366-368,einspline_spo_ref.hpp:183-187,stl_vector.h:933-933,stl_vector.h:1056-1056,stl_algo.h:782-782 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&) | Single | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 861 | exec | DelayedUpdate.h:137-138 | miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int) | Single | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 864 | exec | TinyVector.h:169-169,DiracDeterminantRef.cpp:157-157,DiracDeterminantRef.cpp:173-173,DiracDeterminantRef.cpp:178-178,OperatorTags.h:94-94,inner_product.hpp:82-83,inner_product.hpp:155-155,TinyVectorOps.h:129-131 | miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Outermost | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 82 | exec | WaveFunction.cpp:273-274 | qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&) | Innermost | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1441 | exec | stl_tree.h:787-787,stl_tree.h:795-795,stl_tree.h:1210-1210,stl_tree.h:1894-1895,NewTimer.h:119-121 | std::map, double, std::less >, std::allocator const, double> > >::operator[](qmcplusplus::StackKeyParam<2> const&) | Single | 0.07 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1439 | exec | NewTimer.cpp:99-100 | qmcplusplus::TimerType::stop() | Single | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1226 | exec | ParticleBConds3DSoa.h:235-255 | void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer > >(qmcplusplus::TinyVector const&, qmcplusplus::VectorSoAContainer > const&, double*, qmcplusplus::VectorSoAContainer >&, int, int, int) const | Single | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 222 | exec | stl_numeric.h:126-127,stl_iterator.h:887-887 | miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 58 | exec | random.tcc:403-406,random.tcc:413-413,random.tcc:417-420,random.tcc:455-455,random.tcc:459-463,random.tcc:3329-3332 | double std::uniform_real_distribution::operator() >(std::mersenne_twister_engine&) | Outermost | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1089 | exec | ParticleSet.cpp:389-390,stl_vector.h:806-806,unique_ptr.h:150-150 | qmcplusplus::ParticleSet::acceptMove(int) | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 841 | exec | OhmmsVector.h:223-223,DelayedUpdate.h:186-187,OhmmsMatrix.h:236-236 | qmcplusplus::DelayedUpdate::updateInvMat(qmcplusplus::Matrix >&) | Single | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 749 | exec | VectorSoAContainer.h:231-231,stl_algobase.h:200-200,einspline_spo_ref.hpp:219-219,einspline_spo_ref.hpp:222-223,stl_vector.h:933-933 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&) | Outermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1719 | exec | OhmmsVector.h:223-223,OhmmsVector.h:248-248,SoaDistanceTableAAOMPTarget.h:184-185,stl_vector.h:933-933,unique_ptr.h:150-150 | qmcplusplus::SoaDistanceTableAAOMPTarget::evaluate(qmcplusplus::ParticleSet&) | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 830 | exec | DiracMatrix.h:112-113 | qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&) | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 207 | exec | OneBodyJastrowRef.h:169-169,OperatorTags.h:94-94 | miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Single | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 29 | exec | RandomGenerator.h:51-55,StdRandom.h:97-97 | main.extracted.110 | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 860 | exec | DelayedUpdate.h:137-138 | miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int) | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1145 | exec | OhmmsVector.h:178-178,OhmmsVector.h:223-223,OhmmsVector.h:229-229,OperatorTags.h:43-43,VirtualParticleSet.cpp:119-120,stl_vector.h:951-951 | qmcplusplus::VirtualParticleSet::makeMoves(qmcplusplus::ParticleSet const&, int, std::vector, std::allocator > > const&, bool, int) | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 210 | exec | OneBodyJastrowRef.h:109-113,OneBodyJastrowRef.h:166-166,OneBodyJastrowRef.h:186-188,OneBodyJastrowRef.h:192-194,OhmmsVector.h:223-223,OhmmsVector.h:249-249,TinyVector.h:169-169,VectorSoAContainer.h:273-273,stl_numeric.h:126-127,stl_iterator.h:784-784,stl_iterator.h:887-887,stl_vector.h:951-951,stl_vector.h:1056-1056 | miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Outermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 859 | exec | DelayedUpdate.h:147-148 | miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int) | Single | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1437 | exec | NewTimer.cpp:53-54 | qmcplusplus::TimerType::start() | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1442 | exec | stl_tree.h:787-787,stl_tree.h:795-795,stl_tree.h:1210-1210,stl_tree.h:1894-1895,NewTimer.h:119-121 | std::map, long, std::less >, std::allocator const, long> > >::operator[](qmcplusplus::StackKeyParam<2> const&) | Single | 0.02 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 834 | exec | inner_product.hpp:210-212 | qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&) | InBetween | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 766 | exec | OhmmsVector.h:56-56,OhmmsVector.h:144-144,OhmmsVector.h:210-212,OhmmsVector.h:287-287,SPOSet.h:106-111,OhmmsMatrix.h:217-217,new_allocator.h:125-125 | qmcplusplus::SPOSet::evaluate_notranspose(qmcplusplus::ParticleSet const&, int, int, qmcplusplus::Matrix >&, qmcplusplus::Matrix, std::allocator > >&, qmcplusplus::Matrix >&) | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 847 | exec | TinyVector.h:169-169,DiracDeterminantRef.cpp:238-238,DiracDeterminantRef.cpp:247-247,DiracDeterminantRef.cpp:252-252,OperatorTags.h:94-94,inner_product.hpp:82-83,inner_product.hpp:155-155,TinyVectorOps.h:129-131 | miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&) | Outermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1431 | exec | PosTransformer.h:39-46 | qmcplusplus::RealSpacePositionsOMPTarget::setAllParticlePos(qmcplusplus::ParticleAttrib, std::allocator > > const&) | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 79 | exec | OhmmsVector.h:379-379,TinyVector.h:164-164 | qmcplusplus::WaveFunction::evaluateGL(qmcplusplus::ParticleSet&) | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1428 | exec | PosTransformer.h:39-46 | qmcplusplus::RealSpacePositions::setAllParticlePos(qmcplusplus::ParticleAttrib, std::allocator > > const&) | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 282 | exec | TwoBodyJastrowRef.h:423-427,OperatorTags.h:94-94 | miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 764 | exec | inner_product.hpp:82-83 | qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&) | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 59 | exec | random.tcc:401-406 | double std::uniform_real_distribution::operator() >(std::mersenne_twister_engine&) | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 299 | exec | shared_ptr_base.h:1308-1308,OhmmsVector.h:223-223,TwoBodyJastrowRef.h:269-274,stl_algobase.h:200-200,ParticleSet.h:313-316 | miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 205 | exec | OneBodyJastrowRef.h:171-172 | miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 975 | exec | random.tcc:403-406,random.tcc:413-413,random.tcc:417-420,random.tcc:455-455,random.tcc:459-463,random.tcc:3329-3332 | qmcplusplus::build_els(qmcplusplus::ParticleSet const&, StdRandom >&, bool) | InBetween | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 273 | exec | TwoBodyJastrowRef.h:324-324,TwoBodyJastrowRef.h:334-334,TwoBodyJastrowRef.h:341-342,TwoBodyJastrowRef.h:347-349,stl_algobase.h:752-752 | miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int) | Outermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1191 | exec | OhmmsVector.h:47-47,OhmmsVector.h:287-287,stl_uninitialized.h:526-526 | std::vector >, std::allocator > > >::_M_default_append(unsigned long) | Single | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1198 | exec | stl_uninitialized.h:526-526,VectorSoAContainer.h:41-41 | std::vector >, std::allocator > > >::_M_default_append(unsigned long) | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 984 | exec | OhmmsVector.h:223-223,TinyVectorTensorOps.h:150-152,ostream:564-564,OperatorTags.h:43-43,ParticleSet.h:127-127,ParticleIOUtility.h:71-90,char_traits.h:329-329,InfoStream.h:37-37 | void qmcplusplus::expandSuperCell(qmcplusplus::ParticleSet&, qmcplusplus::Tensor const&) | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 872 | exec | stl_algobase.h:740-742 | miniqmcreference::DiracDeterminantRef >::resize(int, int) | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 61 | exec | random.tcc:409-414 | double std::uniform_real_distribution::operator() >(std::mersenne_twister_engine&) | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 976 | exec | random.tcc:401-406 | qmcplusplus::build_els(qmcplusplus::ParticleSet const&, StdRandom >&, bool) | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 856 | exec | inner_product.hpp:82-83 | miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 178 | exec | stl_numeric.h:127-127,stl_iterator.h:887-887 | miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 295 | exec | TwoBodyJastrowRef.h:375-376 | miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 270 | exec | stl_numeric.h:127-127,stl_iterator.h:887-887 | miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 268 | exec | TwoBodyJastrowRef.h:155-156 | miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 204 | exec | stl_numeric.h:126-127 | miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Single | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1093 | exec | ParticleSet.cpp:513-514,stl_vector.h:806-806,unique_ptr.h:150-150 | qmcplusplus::ParticleSet::donePbyP(bool) | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 297 | exec | stl_numeric.h:126-127,stl_iterator.h:887-887 | miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 293 | exec | TwoBodyJastrowRef.h:381-382 | miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 291 | exec | TwoBodyJastrowRef.h:381-382 | miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 289 | exec | TwoBodyJastrowRef.h:381-382 | miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 287 | exec | TwoBodyJastrowRef.h:388-391 | miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 735 | exec | random.tcc:403-406,random.tcc:413-413,random.tcc:417-420,random.tcc:455-455,random.tcc:459-463,random.tcc:3329-3332 | miniqmcreference::einspline_spo_ref::set(int, int, int, int, int, bool) | InBetween | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 52 | exec | TinyVectorTensorOps.h:77-79,NonLocalPP.hpp:110-111 | qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&) | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 728 | exec | BsplineAllocator.hpp:179-180 | qmcplusplus::BsplineAllocator >::setCoefficientsForOrbitals(int, int, Array&, multi_UBspline_3d_d*) [clone .extracted] | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 858 | exec | DelayedUpdate.h:147-148 | miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int) | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 827 | exec | DiracMatrix.h:31-35,std_abs.h:71-71 | qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&) | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |