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 768 | exec | MultiBsplineRef.hpp:68-70 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&) | Innermost | 22.51 | 21.54 | 26.89 | 1.00 | 1.50 | 4.00 | 1.00 | 1 | 100.00 | 25.00 | 267.31 | 2.50 | 2.50 | 1.67 | 0.63 | 2.50 |
○Loop 1987 | exec | ParticleBConds3DSoa.h:280-298,SoaDistanceTableABOMPTarget.h:228-228 | qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&) | Innermost | 8.4 | 7.93 | 9.9 | 1.00 | 3.33 | 6.67 | 1.00 | 1 | 12.77 | 14.10 | 297.25 | 15.00 | 15.00 | 4.50 | 2.25 | 15.00 |
○Loop 780 | exec | MultiBsplineRef.hpp:242-262,TinyVector.h:61-61 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&) | Innermost | 9.14 | 7.28 | 9.09 | 1.00 | 2.00 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 727.79 | 11.50 | 11.50 | 5.75 | 5.75 | 11.50 |
○Loop 779 | 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 | 8.54 | 4.88 | 6.09 | 1.00 | 1.06 | 2.00 | 1.41 | 1 | 100.00 | 50.00 | 549.20 | 6.33 | 6.33 | 6.00 | 3.17 | 4.50 |
○Loop 1742 | exec | VectorSoAContainer.h:244-244,VectorSoAContainer.h:263-263,OhmmsVector.h:223-223,TinyVector.h:182-182,SoaDistanceTableAAOMPTarget.h:440-442 | qmcplusplus::SoaDistanceTableAAOMPTarget::update(int) | Single | 4.57 | 4.22 | 5.27 | 1.46 | 1.00 | 8.00 | 5.83 | 1 | 54.55 | 15.91 | 0.00 | 5.83 | 4.00 | 5.83 | 0.73 | 1.00 |
○Loop 1244 | 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 | 1.7 | 1.41 | 1.76 | 1.00 | 1.67 | 1.67 | 1.00 | 1 | 97.00 | 48.88 | 1480.75 | 60.00 | 60.00 | 36.00 | 36.00 | 60.00 |
○Loop 274 | exec | BsplineFunctor.h:236-241 | qmcplusplus::BsplineFunctor::evaluateV(int, int, int, double const*, double*) const | Single | 1.28 | 1.09 | 1.36 | 1.83 | 1.00 | 3.64 | 16.50 | 2 | 84.44 | 43.19 | 0.74 | 16.50 | 9.00 | 16.50 | 4.53 | 1.00 |
○Loop 778 | exec | MultiBsplineRef.hpp:242-242,TinyVector.h:61-61 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&) | InBetween | 3.09 | 1.03 | 1.28 | 4.41 | 1.00 | 8.08 | 9.67 | 9 | 26.87 | 20.62 | 341.92 | 33.83 | 7.67 | 33.83 | 4.19 | 3.50 |
○Loop 2280 | exec | | __intel_avx_rep_memset | Single | 0.88 | 0.76 | 0.95 | 1.00 | 1.00 | 2.00 | 4.00 | 1 | 100.00 | 50.00 | 0.39 | 4.00 | 4.00 | 4.00 | 2.00 | 1.00 |
○Loop 770 | exec | VectorSoAContainer.h:231-231,VectorSoAContainer.h:271-271,einspline_spo_ref.hpp:223-227,stl_algobase.h:200-200,OhmmsVector.h:223-223,TinyVector.h:145-145,stl_vector.h:933-933 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&) | Innermost | 0.78 | 0.63 | 0.79 | 2.18 | 1.00 | 12.26 | 4.02 | 1 | 20.00 | 13.13 | 0.00 | 6.17 | 2.83 | 6.17 | 0.50 | 1.53 |
○Loop 297 | exec | TwoBodyJastrowRef.h:342-347 | miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int) | Innermost | 0.6 | 0.48 | 0.6 | 1.00 | 1.33 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 394.55 | 4.00 | 4.00 | 3.00 | 2.00 | 4.00 |
○Loop 271 | exec | BsplineFunctor.h:291-297 | qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const | Single | 0.51 | 0.38 | 0.48 | 1.65 | 1.00 | 3.42 | 19.00 | 2 | 83.48 | 42.77 | 0.26 | 19.00 | 11.50 | 19.00 | 5.56 | 1.00 |
○Loop 872 | exec | OperatorTags.h:63-63,TinyVector.h:61-61,inner_product.hpp:155-155 | miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int) | Single | 0.46 | 0.35 | 0.44 | 1.00 | 1.73 | 6.40 | 1.00 | 1 | 33.33 | 16.67 | 181.79 | 16.00 | 16.00 | 9.25 | 2.50 | 16.00 |
○Loop 885 | exec | OperatorTags.h:63-63,DiracDeterminantRef.cpp:157-157,inner_product.hpp:155-155 | miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.4 | 0.35 | 0.43 | 1.00 | 1.73 | 6.40 | 1.00 | 1 | 33.33 | 16.67 | 181.68 | 16.00 | 16.00 | 9.25 | 2.50 | 16.00 |
○Loop 772 | exec | MultiBsplineRef.hpp:276-286 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&) | Innermost | 0.46 | 0.32 | 0.4 | 1.00 | 1.07 | 2.00 | 1.07 | 1 | 100.00 | 50.00 | 291.47 | 4.83 | 4.83 | 4.50 | 2.42 | 4.50 |
○Loop 783 | exec | inner_product.hpp:82-83 | qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&) | Innermost | 0.37 | 0.28 | 0.35 | 1.00 | 1.54 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 297.69 | 4.00 | 4.00 | 2.60 | 2.00 | 4.00 |
○Loop 873 | exec | OperatorTags.h:63-63,DiracDeterminantRef.cpp:109-109,inner_product.hpp:155-155 | miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.35 | 0.22 | 0.27 | 1.00 | 1.73 | 6.40 | 1.00 | 1 | 33.33 | 16.67 | 288.00 | 16.00 | 16.00 | 9.25 | 2.50 | 16.00 |
○Loop 299 | exec | TwoBodyJastrowRef.h:324-331 | miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int) | Single | 0.27 | 0.19 | 0.24 | 1.00 | 1.31 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 428.97 | 3.50 | 3.50 | 2.67 | 1.75 | 3.50 |
○Loop 887 | exec | inner_product.hpp:82-83 | miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.24 | 0.16 | 0.2 | 1.00 | 1.54 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 130.97 | 4.00 | 4.00 | 2.60 | 2.00 | 4.00 |
○Loop 291 | exec | TwoBodyJastrowRef.h:155-156 | miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.17 | 0.12 | 0.15 | 1.00 | 1.54 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 308.78 | 4.00 | 4.00 | 2.60 | 2.00 | 4.00 |
○Loop 289 | exec | TwoBodyJastrowRef.h:155-156 | miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.18 | 0.12 | 0.15 | 1.00 | 1.54 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 348.82 | 4.00 | 4.00 | 2.60 | 2.00 | 4.00 |
○Loop 287 | exec | TwoBodyJastrowRef.h:155-156 | miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.18 | 0.12 | 0.14 | 1.00 | 1.54 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 364.70 | 4.00 | 4.00 | 2.60 | 2.00 | 4.00 |
○Loop 272 | exec | BsplineFunctor.h:246-260 | qmcplusplus::BsplineFunctor::evaluateV(int, int, int, double const*, double*) const | Single | 0.13 | 0.08 | 0.1 | 1.00 | 1.52 | 2.13 | 1.00 | 1 | 100.00 | 46.88 | 748.20 | 16.00 | 16.00 | 10.50 | 7.50 | 16.00 |
○Loop 876 | exec | inner_product.hpp:82-83 | miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.11 | 0.07 | 0.08 | 1.00 | 1.54 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 287.81 | 4.00 | 4.00 | 2.60 | 2.00 | 4.00 |
○Loop 870 | exec | OperatorTags.h:63-63,DiracDeterminantRef.cpp:238-238,inner_product.hpp:155-155 | miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&) | Innermost | 0.09 | 0.07 | 0.08 | 1.00 | 1.73 | 6.40 | 1.00 | 1 | 33.33 | 16.67 | 182.03 | 16.00 | 16.00 | 9.25 | 2.50 | 16.00 |
○Loop 293 | exec | stl_numeric.h:126-127,stl_iterator.h:887-887 | miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.1 | 0.06 | 0.07 | 1.00 | 1.78 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 311.04 | 3.00 | 3.00 | 1.69 | 1.50 | 3.00 |
○Loop 854 | exec | inner_product.hpp:211-212 | qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&) | Innermost | 0.06 | 0.06 | 0.07 | 1.11 | 1.00 | 2.40 | 3.50 | 1 | 85.71 | 41.07 | 0.00 | 3.50 | 3.17 | 3.50 | 1.46 | 1.00 |
○Loop 269 | exec | BsplineFunctor.h:303-338 | qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const | Single | 0.09 | 0.05 | 0.07 | 1.13 | 1.57 | 2.10 | 1.57 | 1 | 100.00 | 48.31 | 1019.77 | 31.50 | 28.00 | 20.00 | 15.00 | 20.00 |
○Loop 52 | exec | OhmmsVector.h:229-229,stl_vector.h:806-806,stl_vector.h:933-933,NonLocalPP.hpp:126-126,NonLocalPP.hpp:129-135,unique_ptr.h:150-150 | qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&) | InBetween | 0.09 | 0.05 | 0.06 | 2.48 | 1.00 | 12.15 | 3.42 | 3 | 0.00 | 11.70 | 0.62 | 4.56 | 1.83 | 4.56 | 0.38 | 1.33 |
○Loop 306 | exec | TwoBodyJastrowRef.h:393-398 | miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.09 | 0.04 | 0.06 | 1.00 | 1.00 | 8.00 | 1.56 | 1 | 0.00 | 12.50 | 318.65 | 4.67 | 4.67 | 4.67 | 0.58 | 3.00 |
○Loop 771 | exec | VectorSoAContainer.h:265-265,einspline_spo_ref.hpp:206-207,stl_algobase.h:695-696,MultiBsplineRef.hpp:187-192,MultiBsplineRef.hpp:198-202,MultiBsplineRef.hpp:229-229,MultiBsplineRef.hpp:244-251,MultiBsplineRef.hpp:255-258,MultiBsplineRef.hpp:269-286,TinyVector.h:61-61,stl_vector.h:933-933,stl_vector.h:1056-1056,MultiBsplineData.hpp:68-79,MultiBsplineEvalHelper.hpp:45-47 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&) | Outermost | 0.08 | 0.03 | 0.04 | 1.58 | 1.75 | 6.61 | 2.25 | 192 | 38.02 | 22.77 | 21.93 | 92.33 | 58.33 | 52.63 | 13.96 | 41.00 |
○Loop 774 | exec | MultiBsplineRef.hpp:227-227,MultiBsplineRef.hpp:234-239,MultiBsplineRef.hpp:242-262,TinyVector.h:61-61 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&) | InBetween | 0.07 | 0.03 | 0.04 | 1.37 | 1.63 | 4.42 | 3.00 | 16 | 60.98 | 35.00 | 35.43 | 48.00 | 35.00 | 29.39 | 10.85 | 16.00 |
○Loop 895 | exec | stl_algobase.h:740-742 | miniqmcreference::DiracDeterminantRef >::resize(int, int) | Single | 0.04 | 0.02 | 0.03 | 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 254 | exec | stl_algobase.h:752-754 | qmcplusplus::Vector >::resize(unsigned long, double) | Single | 0.04 | 0.02 | 0.03 | 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 314 | exec | TwoBodyJastrowRef.h:381-382 | miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.05 | 0.02 | 0.03 | 1.00 | 1.54 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 208.96 | 4.00 | 4.00 | 2.60 | 2.00 | 4.00 |
○Loop 312 | exec | TwoBodyJastrowRef.h:381-382 | miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.04 | 0.02 | 0.02 | 1.00 | 1.54 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 215.31 | 4.00 | 4.00 | 2.60 | 2.00 | 4.00 |
○Loop 310 | 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 | 208.68 | 4.00 | 4.00 | 2.60 | 2.00 | 4.00 |
○Loop 316 | exec | TwoBodyJastrowRef.h:375-376 | miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.05 | 0.02 | 0.02 | 1.00 | 1.67 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 304.38 | 7.00 | 7.00 | 4.20 | 3.50 | 7.00 |
○Loop 868 | exec | inner_product.hpp:82-83 | miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&) | Innermost | 0.03 | 0.02 | 0.02 | 1.00 | 1.54 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 210.33 | 4.00 | 4.00 | 2.60 | 2.00 | 4.00 |
○Loop 28 | exec | refwrap.h:313-313,TinyVector.h:62-62,stl_vector.h:933-933,miniqmc.cpp:429-458 | main.extracted.110 | Innermost | 0.04 | 0.02 | 0.02 | 2.89 | 1.00 | 13.06 | 3.50 | 2 | 6.93 | 11.85 | 0.08 | 11.08 | 3.83 | 11.08 | 0.85 | 3.17 |
○Loop 212 | exec | OneBodyJastrowRef.h:186-187 | miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.04 | 0.02 | 0.02 | 1.00 | 1.67 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 246.71 | 7.00 | 7.00 | 4.20 | 3.50 | 7.00 |
○Loop 308 | exec | TwoBodyJastrowRef.h:388-391 | miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.03 | 0.01 | 0.02 | 1.00 | 1.20 | 2.00 | 1.33 | 1 | 100.00 | 50.00 | 840.08 | 2.00 | 2.00 | 1.67 | 1.00 | 1.50 |
○Loop 773 | exec | MultiBsplineRef.hpp:226-226,MultiBsplineRef.hpp:234-236,MultiBsplineRef.hpp:244-244,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 | 7.33 | 1.00 | 8.00 | 22.00 | 16 | 0.00 | 12.35 | 4.20 | 11.00 | 1.50 | 11.00 | 1.38 | 0.50 |
○Loop 268 | exec | shared_ptr_base.h:1308-1308,ParticleSet.h:313-316,OneBodyJastrowRef.h:214-219,OhmmsVector.h:223-223,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 | 0.80 | 3.00 | 3.00 | 3.00 | 0.25 | 1.00 |
○Loop 765 | exec | einspline_spo_ref.hpp:175-176,stl_algobase.h:200-200,stl_algobase.h:695-696,MultiBsplineRef.hpp:42-44,MultiBsplineRef.hpp:47-49,MultiBsplineRef.hpp:56-58,MultiBsplineRef.hpp:67-67,MultiBsplineRef.hpp:70-71,stl_vector.h:1056-1056,MultiBsplineData.hpp:54-57,MultiBsplineEvalHelper.hpp:45-47 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&) | Outermost | 0.02 | 0.01 | 0.01 | 1.22 | 2.47 | 7.40 | 1.37 | 10 | 14.58 | 14.32 | 35.60 | 28.00 | 23.00 | 11.32 | 3.78 | 20.50 |
○Loop 208 | 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 | 316.01 | 4.00 | 4.00 | 2.60 | 2.00 | 4.00 |
○Loop 207 | exec | OneBodyJastrowRef.h:192-193 | miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.02 | 0.01 | 0.01 | 1.00 | 1.54 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 324.91 | 4.00 | 4.00 | 2.60 | 2.00 | 4.00 |
○Loop 204 | exec | OneBodyJastrowRef.h:192-193 | miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.02 | 0.01 | 0.01 | 1.00 | 1.54 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 307.16 | 4.00 | 4.00 | 2.60 | 2.00 | 4.00 |
○Loop 320 | exec | refwrap.h:313-313,optional:897-897,optional:1213-1213,OhmmsVector.h:223-223,OhmmsVector.h:229-229,OhmmsVector.h:249-249,TwoBodyJastrowRef.h:107-108,TwoBodyJastrowRef.h:126-127,stl_vector.h:806-806,stl_vector.h:933-933,stl_vector.h:951-951 | miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&) | Outermost | 0.02 | 0.01 | 0.01 | 2.28 | 2.69 | 21.90 | 3.04 | 2 | 8.39 | 11.87 | 9.90 | 6.08 | 2.67 | 2.27 | 0.28 | 2.00 |
○Loop 53 | exec | VectorSoAContainer.h:231-231,OperatorTags.h:43-43,OperatorTags.h:63-63,OhmmsVector.h:229-229,TinyVector.h:145-145,stl_vector.h:806-806,stl_vector.h:933-933,NonLocalPP.hpp:131-132 | qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&) | Innermost | 0.02 | 0.01 | 0.01 | 1.00 | 1.69 | 7.06 | 2.14 | 1 | 30.00 | 16.25 | 2.55 | 5.00 | 5.00 | 2.96 | 0.71 | 2.33 |
○Loop 1090 | exec | stl_vector.h:806-806,ParticleSet.cpp:242-243,unique_ptr.h:150-150 | qmcplusplus::ParticleSet::update(bool) | Single | 0.02 | 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 766 | 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 | 0.01 | 6.00 | 1.00 | 9.37 | 8.00 | 5 | 0.00 | 12.15 | 369.46 | 4.00 | 0.67 | 4.00 | 0.43 | 0.50 |
○Loop 318 | exec | stl_numeric.h:126-127,stl_iterator.h:887-887 | miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.02 | 0 | 0.01 | 1.00 | 1.78 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | NA | 3.00 | 3.00 | 1.69 | 1.50 | 3.00 |
○Loop 76 | exec | refwrap.h:313-313,OperatorTags.h:94-94,stl_vector.h:806-806,stl_vector.h:933-933,WaveFunction.cpp:185-188,NewTimer.h:242-242,NewTimer.h:249-249 | qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int) | Single | 0.02 | 0 | 0.01 | 1.56 | 2.04 | 9.74 | 2.80 | 1 | 27.27 | 15.34 | NA | 4.67 | 3.00 | 2.29 | 0.48 | 1.67 |
○Loop 240 | exec | OneBodyJastrowRef.h:192-193 | 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 767 | 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 294 | exec | shared_ptr_base.h:1308-1308,ParticleSet.h:313-316,OhmmsVector.h:223-223,TwoBodyJastrowRef.h:269-274 | 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 247 | 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 | 0.02 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1988 | exec | SoaDistanceTableABOMPTarget.h:215-217,SoaDistanceTableABOMPTarget.h:222-222,SoaDistanceTableABOMPTarget.h:228-228 | qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&) | InBetween | 0.02 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 764 | exec | einspline_spo_ref.hpp:183-187,stl_algobase.h:200-200,stl_algobase.h:366-368,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 | 0.03 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 51 | exec | VectorSoAContainer.h:231-231,ParticleSet.h:277-277,OhmmsVector.h:229-229,TinyVector.h:170-170,stl_vector.h:951-951,NonLocalPP.hpp:122-122,NonLocalPP.hpp:126-126 | qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&) | Outermost | 0.02 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 239 | exec | OneBodyJastrowRef.h:192-193 | 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 751 | 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 942 | 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 321 | exec | shared_ptr_base.h:1308-1308,ParticleSet.h:313-316,OhmmsVector.h:223-223,TwoBodyJastrowRef.h:127-132,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 83 | exec | refwrap.h:313-313,stl_vector.h:806-806,stl_vector.h:933-933,WaveFunction.cpp:263-263,WaveFunction.cpp:269-269,WaveFunction.cpp:272-273,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 236 | exec | OneBodyJastrowRef.h:192-193 | 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 781 | exec | SPOSet.h:83-86,OhmmsVector.h:178-178,OhmmsVector.h:248-249,inner_product.hpp:82-83,stl_vector.h:933-933 | qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&) | Outermost | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 77 | exec | refwrap.h:313-313,stl_vector.h:806-806,stl_vector.h:933-933,WaveFunction.cpp:198-201,NewTimer.h:242-242,NewTimer.h:249-249 | qmcplusplus::WaveFunction::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 202 | exec | stl_numeric.h:126-127,stl_iterator.h:887-887 | miniqmcreference::OneBodyJastrowRef >::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 244 | 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 1986 | exec | ParticleBConds3DSoa.h:284-286,ParticleBConds3DSoa.h:289-289,ParticleBConds3DSoa.h:294-296,SoaDistanceTableABOMPTarget.h:214-215,SoaDistanceTableABOMPTarget.h:222-222 | qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&) | Outermost | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1103 | exec | stl_vector.h:806-806,ParticleSet.cpp:389-390,unique_ptr.h:150-150 | qmcplusplus::ParticleSet::acceptMove(int) | 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,ParticleSet.h:313-316,OhmmsVector.h:223-223,TwoBodyJastrowRef.h:269-274 | miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int) | Single | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 883 | exec | OperatorTags.h:94-94,TinyVector.h:62-62,TinyVector.h:169-169,TinyVectorOps.h:131-131,DiracDeterminantRef.cpp:157-157,DiracDeterminantRef.cpp:173-173,DiracDeterminantRef.cpp:178-178,inner_product.hpp:82-83,inner_product.hpp:155-155 | 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 79 | exec | refwrap.h:313-313,stl_vector.h:806-806,stl_vector.h:933-933,WaveFunction.cpp:225-228,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 1989 | 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 305 | exec | VectorSoAContainer.h:244-244,VectorSoAContainer.h:263-263,VectorSoAContainer.h:273-273,DistanceTable.h:268-268,stl_numeric.h:126-127,stl_algobase.h:752-754,OhmmsVector.h:223-223,OhmmsVector.h:229-229,OhmmsVector.h:249-249,stl_iterator.h:784-784,stl_iterator.h:887-887,TwoBodyJastrowRef.h:268-269,TwoBodyJastrowRef.h:364-364,TwoBodyJastrowRef.h:367-367,TwoBodyJastrowRef.h:375-376,TwoBodyJastrowRef.h:381-383,TwoBodyJastrowRef.h:386-393,TwoBodyJastrowRef.h:397-398,TwoBodyJastrowRef.h:420-420,stl_vector.h:951-951,stl_vector.h:1056-1056 | miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | InBetween | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1457 | 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 | 0.09 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1097 | exec | stl_vector.h:806-806,ParticleSet.cpp:343-344,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 249 | exec | shared_ptr_base.h:1308-1308,ParticleSet.h:313-316,OneBodyJastrowRef.h:143-146,OhmmsVector.h:223-223,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 880 | 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 85 | exec | WaveFunction.cpp:273-274 | qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&) | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 60 | 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 769 | exec | VectorSoAContainer.h:231-231,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 290 | exec | TwoBodyJastrowRef.h:155-156 | 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 1453 | exec | NewTimer.cpp:53-54 | qmcplusplus::TimerType::start() | Single | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 246 | 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 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1455 | exec | NewTimer.cpp:99-100 | qmcplusplus::TimerType::stop() | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 234 | exec | VectorSoAContainer.h:273-273,stl_numeric.h:126-127,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,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 860 | exec | DelayedUpdate.h:160-160,DelayedUpdate.h:186-187 | qmcplusplus::DelayedUpdate::updateInvMat(qmcplusplus::Matrix >&) | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 784 | exec | OhmmsMatrix.h:217-217,SPOSet.h:106-111,OhmmsVector.h:56-56,OhmmsVector.h:144-144,OhmmsVector.h:210-212,OhmmsVector.h:287-287,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 853 | 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 1243 | 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 | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 303 | exec | OperatorTags.h:94-94,TwoBodyJastrowRef.h:423-427 | miniqmcreference::TwoBodyJastrowRef >::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 319 | exec | shared_ptr_base.h:1308-1308,ParticleSet.h:313-316,stl_algobase.h:200-200,OhmmsVector.h:223-223,TwoBodyJastrowRef.h:269-274 | 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 1737 | 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 295 | exec | stl_algobase.h:752-752,TwoBodyJastrowRef.h:324-324,TwoBodyJastrowRef.h:334-334,TwoBodyJastrowRef.h:341-342,TwoBodyJastrowRef.h:347-349 | miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int) | Outermost | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1458 | 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 | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1159 | exec | OperatorTags.h:43-43,OhmmsVector.h:178-178,OhmmsVector.h:223-223,OhmmsVector.h:229-229,stl_vector.h:951-951,VirtualParticleSet.cpp:119-120 | 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 866 | exec | OperatorTags.h:94-94,TinyVector.h:62-62,TinyVector.h:169-169,TinyVectorOps.h:131-131,DiracDeterminantRef.cpp:238-238,DiracDeterminantRef.cpp:247-247,DiracDeterminantRef.cpp:252-252,inner_product.hpp:82-83,inner_product.hpp:155-155 | 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 878 | 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 879 | 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 34 | exec | stl_algobase.h:740-742 | main.extracted.110 | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1208 | exec | stl_uninitialized.h:526-526,OhmmsVector.h:47-47,OhmmsVector.h:287-287 | 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 62 | 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 1447 | 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 1444 | 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 270 | exec | BsplineFunctor.h:291-298 | qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 229 | 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 782 | 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 61 | 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 1194 | exec | stl_construct.h:98-98,stl_construct.h:107-107 | qmcplusplus::DistanceTableAA::~DistanceTableAA() | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 225 | exec | OperatorTags.h:94-94,OneBodyJastrowRef.h:169-169 | 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 21 | exec | PrimeNumberSet.h:86-91 | main | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 891 | 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 849 | 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 749 | 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 81 | 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 74 | exec | OhmmsVector.h:379-379,TinyVector.h:164-164 | qmcplusplus::WaveFunction::evaluateLog(qmcplusplus::ParticleSet&) | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1733 | exec | VectorSoAContainer.h:151-153,VectorSoAContainer.h:167-167,VectorSoAContainer.h:174-176,OhmmsVector.h:149-149,OhmmsVector.h:156-158,OhmmsVector.h:212-215,aligned_allocator.hpp:46-46,SoaDistanceTableAAOMPTarget.h:96-96,SoaDistanceTableAAOMPTarget.h:106-109,stl_vector.h:933-933,stl_vector.h:1056-1056,Mallocator.hpp:78-78 | qmcplusplus::SoaDistanceTableAAOMPTarget::resize() | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1434 | exec | stl_construct.h:98-98,stl_construct.h:107-107 | qmcplusplus::DistanceTableAB::~DistanceTableAB() | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 988 | exec | random.h:1823-1823,StdRandom.h:102-103,random.tcc:406-406,random.tcc:3334-3335,random.tcc:3338-3338 | qmcplusplus::build_els(qmcplusplus::ParticleSet const&, StdRandom >&, bool) | Outermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 877 | 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 317 | 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 311 | 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 1215 | exec | VectorSoAContainer.h:41-41,stl_uninitialized.h:526-526 | 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 997 | exec | InfoStream.h:37-37,ParticleSet.h:127-127,OperatorTags.h:43-43,ostream:564-564,OhmmsVector.h:223-223,TinyVectorTensorOps.h:150-152,ParticleIOUtility.h:71-90,char_traits.h:329-329 | 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 29 | exec | StdRandom.h:97-97,RandomGenerator.h:51-55 | main.extracted.110 | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1068 | exec | ParticleSet.cpp:119-120 | qmcplusplus::ParticleSet::create(std::vector > const&) | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 989 | 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 1242 | 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 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 315 | 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 313 | 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 309 | 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 292 | exec | stl_numeric.h:127-127,stl_iterator.h:887-887 | 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 996 | exec | OperatorTags.h:43-43,OperatorTags.h:63-63,OhmmsVector.h:61-61,ParticleIOUtility.h:70-70,ParticleIOUtility.h:79-79 | void qmcplusplus::expandSuperCell(qmcplusplus::ParticleSet&, qmcplusplus::Tensor const&) | InBetween | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 756 | 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 755 | exec | random.h:1823-1823,StdRandom.h:102-103,random.tcc:3334-3335,random.tcc:3338-3338 | 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 228 | exec | stl_numeric.h:126-127 | 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 846 | 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 |