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 873 | exec | MultiBsplineRef.hpp:68-70 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&) | Innermost | 29.62 | 27.69 | 24.67 | 1.00 | 1.50 | 4.00 | 1.00 | 1 | 100.00 | 25.00 | 219.96 | 2.50 | 2.50 | 1.67 | 0.63 | 2.50 |
○Loop 880 | 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 | 14.66 | 13.98 | 12.46 | 1.00 | 1.76 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 606.68 | 11.50 | 11.50 | 6.53 | 5.75 | 11.50 |
○Loop 2090 | exec | ParticleBConds3DSoa.h:280-298,SoaDistanceTableABOMPTarget.h:228-228 | qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&) | Innermost | 8.79 | 8.08 | 7.2 | 1.00 | 3.33 | 6.67 | 1.00 | 1 | 12.77 | 14.10 | 363.89 | 15.00 | 15.00 | 4.50 | 2.25 | 15.00 |
○Loop 1864 | exec | VectorSoAContainer.h:244-244,VectorSoAContainer.h:263-263,OhmmsVector.h:223-223,SoaDistanceTableAAOMPTarget.h:440-442,TinyVector.h:182-182 | qmcplusplus::SoaDistanceTableAAOMPTarget::update(int) | Single | 8.42 | 7.77 | 6.92 | 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 1370 | 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 | 2.6 | 2.25 | 2 | 1.00 | 1.67 | 1.67 | 1.00 | 1 | 97.00 | 48.88 | 957.39 | 60.00 | 60.00 | 36.00 | 36.00 | 60.00 |
○Loop 393 | exec | BsplineFunctor.h:236-241,TwoBodyJastrowRef.h:107-107 | miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&) | Innermost | 2 | 1.48 | 1.32 | 1.50 | 1.00 | 3.20 | 10.50 | 1 | 89.47 | 44.08 | 0.46 | 21.00 | 14.00 | 21.00 | 6.56 | 2.00 |
○Loop 2345 | exec | | __intel_avx_rep_memset | Single | 1.49 | 1.25 | 1.11 | 1.00 | 1.00 | 2.00 | 4.00 | 1 | 100.00 | 50.00 | 0.24 | 4.00 | 4.00 | 4.00 | 2.00 | 1.00 |
○Loop 875 | exec | VectorSoAContainer.h:231-231,VectorSoAContainer.h:271-271,OhmmsVector.h:223-223,stl_algobase.h:200-200,TinyVector.h:145-145,stl_vector.h:933-933,einspline_spo_ref.hpp:223-227 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&) | Innermost | 1.21 | 1.01 | 0.9 | 1.88 | 1.00 | 10.22 | 3.92 | 1 | 30.00 | 15.31 | 0.00 | 7.83 | 4.17 | 7.83 | 0.77 | 2.00 |
○Loop 994 | 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 | 0.84 | 0.65 | 0.58 | 1.00 | 1.73 | 6.40 | 1.00 | 1 | 33.33 | 16.67 | 97.72 | 16.00 | 16.00 | 9.25 | 2.50 | 16.00 |
○Loop 981 | exec | OperatorTags.h:63-63,TinyVector.h:61-61,inner_product.hpp:155-155 | miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int) | Single | 0.79 | 0.63 | 0.56 | 1.00 | 1.73 | 6.40 | 1.00 | 1 | 33.33 | 16.67 | 101.28 | 16.00 | 16.00 | 9.25 | 2.50 | 16.00 |
○Loop 332 | exec | BsplineFunctor.h:291-297 | qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const | Single | 0.76 | 0.58 | 0.52 | 1.39 | 1.00 | 2.92 | 12.50 | 1 | 86.96 | 44.57 | 0.46 | 25.00 | 18.00 | 25.00 | 8.56 | 2.00 |
○Loop 877 | exec | MultiBsplineRef.hpp:276-286 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&) | Innermost | 0.58 | 0.43 | 0.38 | 1.00 | 1.07 | 2.00 | 1.07 | 1 | 100.00 | 50.00 | 266.46 | 4.83 | 4.83 | 4.50 | 2.42 | 4.50 |
○Loop 363 | exec | TwoBodyJastrowRef.h:324-331 | miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int) | Single | 0.44 | 0.36 | 0.32 | 1.00 | 1.31 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 264.79 | 3.50 | 3.50 | 2.67 | 1.75 | 3.50 |
○Loop 883 | exec | inner_product.hpp:82-83 | qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&) | Innermost | 0.46 | 0.34 | 0.3 | 1.00 | 1.54 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 249.37 | 4.00 | 4.00 | 2.60 | 2.00 | 4.00 |
○Loop 982 | exec | DiracDeterminantRef.cpp:109-109,OperatorTags.h:63-63,inner_product.hpp:155-155 | miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.44 | 0.32 | 0.29 | 1.00 | 1.73 | 6.40 | 1.00 | 1 | 33.33 | 16.67 | 197.17 | 16.00 | 16.00 | 9.25 | 2.50 | 16.00 |
○Loop 361 | exec | TwoBodyJastrowRef.h:342-347 | miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int) | Single | 0.43 | 0.31 | 0.28 | 1.00 | 1.33 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 204.36 | 4.00 | 4.00 | 3.00 | 2.00 | 4.00 |
○Loop 359 | exec | TwoBodyJastrowRef.h:342-347 | miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int) | Single | 0.41 | 0.31 | 0.27 | 1.00 | 1.33 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 202.88 | 4.00 | 4.00 | 3.00 | 2.00 | 4.00 |
○Loop 357 | exec | TwoBodyJastrowRef.h:342-347 | miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int) | Single | 0.41 | 0.3 | 0.27 | 1.00 | 1.33 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 211.17 | 4.00 | 4.00 | 3.00 | 2.00 | 4.00 |
○Loop 996 | exec | inner_product.hpp:82-83 | miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.41 | 0.29 | 0.26 | 1.00 | 1.54 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 72.48 | 4.00 | 4.00 | 2.60 | 2.00 | 4.00 |
○Loop 351 | exec | TwoBodyJastrowRef.h:155-156 | miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.26 | 0.17 | 0.16 | 1.00 | 1.54 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 248.66 | 4.00 | 4.00 | 2.60 | 2.00 | 4.00 |
○Loop 350 | exec | TwoBodyJastrowRef.h:155-156 | miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.25 | 0.17 | 0.16 | 1.00 | 1.54 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 243.02 | 4.00 | 4.00 | 2.60 | 2.00 | 4.00 |
○Loop 352 | exec | TwoBodyJastrowRef.h:155-156 | miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.24 | 0.17 | 0.15 | 1.00 | 1.54 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 246.89 | 4.00 | 4.00 | 2.60 | 2.00 | 4.00 |
○Loop 962 | exec | inner_product.hpp:211-212 | qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&) | Innermost | 0.31 | 0.15 | 0.14 | 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 979 | 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 | 0.31 | 0.14 | 0.13 | 1.00 | 1.73 | 6.40 | 1.00 | 1 | 33.33 | 16.67 | 90.55 | 16.00 | 16.00 | 9.25 | 2.50 | 16.00 |
○Loop 961 | exec | inner_product.hpp:211-212 | qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&) | Innermost | 0.28 | 0.14 | 0.12 | 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 985 | exec | inner_product.hpp:82-83 | miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.17 | 0.11 | 0.1 | 1.00 | 1.54 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 193.44 | 4.00 | 4.00 | 2.60 | 2.00 | 4.00 |
○Loop 391 | exec | BsplineFunctor.h:246-260 | miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&) | Innermost | 0.16 | 0.09 | 0.08 | 1.00 | 1.52 | 2.13 | 1.00 | 1 | 100.00 | 46.88 | 657.15 | 16.00 | 16.00 | 10.50 | 7.50 | 16.00 |
○Loop 354 | exec | stl_numeric.h:126-127,stl_iterator.h:887-887 | miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.13 | 0.09 | 0.08 | 1.00 | 1.78 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 235.12 | 3.00 | 3.00 | 1.69 | 1.50 | 3.00 |
○Loop 330 | exec | BsplineFunctor.h:303-338 | qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const | Single | 0.13 | 0.07 | 0.06 | 1.13 | 1.57 | 2.10 | 1.57 | 1 | 100.00 | 48.58 | 822.62 | 31.50 | 28.00 | 20.00 | 15.00 | 20.00 |
○Loop 76 | exec | OhmmsVector.h:229-229,NonLocalPP.hpp:126-126,NonLocalPP.hpp:129-135,TinyVector.h:145-145,stl_vector.h:806-806,stl_vector.h:933-933,unique_ptr.h:150-150 | qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&) | InBetween | 0.11 | 0.06 | 0.06 | 2.52 | 1.00 | 12.22 | 3.46 | 3 | 0.00 | 11.74 | 0.43 | 4.61 | 1.83 | 4.61 | 0.38 | 1.33 |
○Loop 308 | exec | OneBodyJastrowRef.h:134-134,BsplineFunctor.h:236-241 | miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&) | Innermost | 0.09 | 0.04 | 0.04 | 1.50 | 1.00 | 3.20 | 10.50 | 1 | 88.24 | 43.38 | 1.65 | 21.00 | 14.00 | 21.00 | 6.56 | 2.00 |
○Loop 977 | 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 | 142.25 | 4.00 | 4.00 | 2.60 | 2.00 | 4.00 |
○Loop 268 | exec | OneBodyJastrowRef.h:186-187 | miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.06 | 0.02 | 0.02 | 1.00 | 1.67 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 253.01 | 7.00 | 7.00 | 4.20 | 3.50 | 7.00 |
○Loop 390 | exec | shared_ptr_base.h:1308-1308,OhmmsVector.h:223-223,BsplineFunctor.h:229-229,BsplineFunctor.h:236-236,BsplineFunctor.h:240-240,BsplineFunctor.h:246-251,BsplineFunctor.h:256-260,TwoBodyJastrowRef.h:107-107,TwoBodyJastrowRef.h:127-129,TwoBodyJastrowRef.h:132-132,stl_vector.h:951-951,ParticleSet.h:313-313,ParticleSet.h:316-316 | miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&) | InBetween | 0.06 | 0.02 | 0.02 | 1.00 | 1.04 | 5.00 | 3.75 | 29 | 39.69 | 24.38 | 346.64 | 45.00 | 45.00 | 43.25 | 9.00 | 12.00 |
○Loop 379 | 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 | 210.26 | 4.00 | 4.00 | 2.60 | 2.00 | 4.00 |
○Loop 381 | 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 | 213.98 | 4.00 | 4.00 | 2.60 | 2.00 | 4.00 |
○Loop 383 | 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 | 214.61 | 4.00 | 4.00 | 2.60 | 2.00 | 4.00 |
○Loop 876 | exec | VectorSoAContainer.h:265-265,stl_algobase.h:695-696,MultiBsplineEvalHelper.hpp:45-47,TinyVector.h:61-61,MultiBsplineRef.hpp:187-192,MultiBsplineRef.hpp:198-202,MultiBsplineRef.hpp:229-229,MultiBsplineRef.hpp:244-251,MultiBsplineRef.hpp:255-258,MultiBsplineRef.hpp:269-286,stl_vector.h:933-933,stl_vector.h:1056-1056,MultiBsplineData.hpp:68-79,einspline_spo_ref.hpp:206-207 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&) | Outermost | 0.05 | 0.02 | 0.02 | 1.50 | 1.90 | 6.41 | 2.04 | 32 | 38.15 | 23.00 | 30.00 | 85.83 | 57.33 | 45.13 | 13.40 | 42.00 |
○Loop 1004 | exec | stl_algobase.h:740-742 | miniqmcreference::DiracDeterminantRef >::resize(int, int) | Single | 0.04 | 0.02 | 0.01 | 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 313 | exec | stl_algobase.h:752-754 | qmcplusplus::Vector >::resize(unsigned long, double) | Single | 0.03 | 0.02 | 0.01 | 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 385 | exec | TwoBodyJastrowRef.h:375-376 | miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.04 | 0.01 | 0.01 | 1.00 | 1.67 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 637.32 | 7.00 | 7.00 | 4.20 | 3.50 | 7.00 |
○Loop 265 | 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 | 338.31 | 4.00 | 4.00 | 2.60 | 2.00 | 4.00 |
○Loop 377 | exec | TwoBodyJastrowRef.h:388-391 | miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.04 | 0.01 | 0.01 | 1.00 | 1.20 | 2.00 | 1.33 | 1 | 100.00 | 50.00 | 819.62 | 2.00 | 2.00 | 1.67 | 1.00 | 1.50 |
○Loop 264 | 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 | 351.46 | 4.00 | 4.00 | 2.60 | 2.00 | 4.00 |
○Loop 36 | exec | refwrap.h:313-313,miniqmc.cpp:429-458,TinyVector.h:62-62 | main.extracted.110 | Innermost | 0.03 | 0.01 | 0.01 | 5.90 | 1.00 | 11.43 | 10.33 | 2 | 9.46 | 12.30 | 0.00 | 10.33 | 1.75 | 10.33 | 0.90 | 1.00 |
○Loop 879 | exec | TinyVector.h:61-61,MultiBsplineRef.hpp:227-227,MultiBsplineRef.hpp:234-239,MultiBsplineRef.hpp:242-262 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&) | InBetween | 0.03 | 0.01 | 0.01 | 1.22 | 1.81 | 4.16 | 1.85 - 1.79 | 4 | 49.25 | 30.91 | 726.12 | 15.46 | 12.67 | 8.52 | 3.72 | 8.38 - 8.63 |
○Loop 1225 | exec | ParticleSet.cpp:242-243,stl_vector.h:806-806,unique_ptr.h:150-150 | qmcplusplus::ParticleSet::update(bool) | Single | 0.04 | 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 329 | exec | shared_ptr_base.h:1308-1308,OhmmsVector.h:223-223,OneBodyJastrowRef.h:214-219,stl_vector.h:933-933,stl_vector.h:1056-1056,ParticleSet.h:313-316 | 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 | 11.11 | 3.00 | 3.00 | 3.00 | 3.00 | 0.25 | 1.00 |
○Loop 263 | 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 | 356.51 | 4.00 | 4.00 | 2.60 | 2.00 | 4.00 |
○Loop 389 | exec | refwrap.h:313-313,OhmmsVector.h:223-223,OhmmsVector.h:229-229,OhmmsVector.h:249-249,optional:897-897,optional:1213-1213,TwoBodyJastrowRef.h:107-108,TwoBodyJastrowRef.h:126-127,stl_vector.h:806-806,stl_vector.h:933-933,stl_vector.h:951-951,stl_vector.h:1056-1056 | miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&) | Outermost | 0.03 | 0.01 | 0.01 | 1.78 | 1.72 | 5.48 | 6.08 | 30 | 52.50 | 28.63 | 35.30 | 12.17 | 6.83 | 7.08 | 2.22 | 2.00 |
○Loop 77 | exec | VectorSoAContainer.h:231-231,OhmmsVector.h:229-229,NonLocalPP.hpp:131-132,OperatorTags.h:43-43,OperatorTags.h:63-63,TinyVector.h:145-145,stl_vector.h:806-806,stl_vector.h:933-933 | qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&) | Innermost | 0.04 | 0.01 | 0.01 | 1.09 | 1.92 | 6.60 | 2.18 | 1 | 38.89 | 17.36 | 3.75 | 6.17 | 5.67 | 3.21 | 0.93 | 2.83 |
○Loop 870 | exec | stl_algobase.h:695-696,MultiBsplineEvalHelper.hpp:45-47,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,einspline_spo_ref.hpp:175-176 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&) | Outermost | 0.03 | 0.01 | 0.01 | 1.39 | 2.06 | 7.15 | 1.56 | 10 | 18.33 | 14.79 | 24.80 | 32.00 | 23.00 | 15.56 | 4.48 | 20.50 |
○Loop 374 | exec | TwoBodyJastrowRef.h:397-398 | miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.02 | 0.01 | 0.01 | 1.00 | 1.17 | 2.00 | 1.17 | 1 | 100.00 | 50.00 | 416.01 | 1.17 | 1.17 | 1.00 | 0.58 | 1.00 |
○Loop 373 | exec | TwoBodyJastrowRef.h:397-398 | miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.03 | 0.01 | 0.01 | 1.00 | 1.17 | 2.00 | 1.17 | 1 | 100.00 | 50.00 | 429.26 | 1.17 | 1.17 | 1.00 | 0.58 | 1.00 |
○Loop 375 | exec | TwoBodyJastrowRef.h:397-398 | miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.02 | 0.01 | 0.01 | 1.00 | 1.17 | 2.00 | 1.17 | 1 | 100.00 | 50.00 | 407.61 | 1.17 | 1.17 | 1.00 | 0.58 | 1.00 |
○Loop 303 | exec | OhmmsVector.h:223-223,OhmmsVector.h:229-229,OhmmsVector.h:249-249,OneBodyJastrowRef.h:134-135,OneBodyJastrowRef.h:141-141,OneBodyJastrowRef.h:146-146,OneBodyJastrowRef.h:151-153,stl_vector.h:806-806,stl_vector.h:933-933,stl_vector.h:951-951,stl_vector.h:1056-1056 | miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&) | Outermost | 0.03 | 0.01 | 0.01 | 2.15 | 1.77 | 5.03 | 8.11 | 34 | 53.85 | 29.01 | 6.55 | 12.17 | 5.67 | 6.88 | 2.42 | 1.50 |
○Loop 2089 | exec | SoaDistanceTableABOMPTarget.h:215-217,SoaDistanceTableABOMPTarget.h:222-222,SoaDistanceTableABOMPTarget.h:228-228 | qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&) | InBetween | 0.03 | 0.01 | 0.01 | 2.41 | 1.00 | 14.75 | 3.33 | 2 | 0.00 | 7.98 | 82.60 | 5.83 | 2.42 | 5.83 | 0.40 | 1.75 |
○Loop 305 | exec | shared_ptr_base.h:1308-1308,OhmmsVector.h:223-223,OneBodyJastrowRef.h:134-134,OneBodyJastrowRef.h:143-146,BsplineFunctor.h:229-229,BsplineFunctor.h:236-236,BsplineFunctor.h:240-240,BsplineFunctor.h:246-251,BsplineFunctor.h:256-260,stl_vector.h:951-951,ParticleSet.h:313-313 | miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&) | InBetween | 0.03 | 0.01 | 0.01 | 1.00 | 1.04 | 5.14 | 3.75 | 30 | 39.06 | 23.97 | 44.20 | 45.00 | 45.00 | 43.25 | 8.75 | 12.00 |
○Loop 297 | exec | OneBodyJastrowRef.h:192-193 | miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.02 | 0.01 | 0.01 | 1.00 | 1.54 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 70.65 | 4.00 | 4.00 | 2.60 | 2.00 | 4.00 |
○Loop 101 | exec | refwrap.h:313-313,NewTimer.h:242-242,NewTimer.h:249-249,OperatorTags.h:94-94,stl_vector.h:806-806,stl_vector.h:933-933,WaveFunction.cpp:185-188 | qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int) | Single | 0.03 | 0.01 | 0.01 | 1.56 | 2.04 | 9.74 | 2.80 | 1 | 27.27 | 15.34 | 0.00 | 4.67 | 3.00 | 2.29 | 0.48 | 1.67 |
○Loop 295 | exec | OneBodyJastrowRef.h:192-193 | miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.01 | 0.01 | 0 | NA | NA | NA | NA | NA | NA | NA | 73.70 | NA | NA | NA | NA | NA |
○Loop 75 | exec | VectorSoAContainer.h:231-231,OhmmsVector.h:229-229,NonLocalPP.hpp:122-122,NonLocalPP.hpp:126-126,TinyVector.h:170-170,stl_vector.h:951-951,ParticleSet.h:277-277 | 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 296 | 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 871 | 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 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 872 | 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 108 | exec | refwrap.h:313-313,NewTimer.h:242-242,NewTimer.h:249-249,stl_vector.h:806-806,stl_vector.h:933-933,WaveFunction.cpp:263-263,WaveFunction.cpp:269-269,WaveFunction.cpp:272-273 | qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&) | Outermost | 0.03 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 881 | exec | OhmmsVector.h:178-178,OhmmsVector.h:248-249,SPOSet.h:83-86,stl_vector.h:933-933,inner_product.hpp:82-83 | qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&) | Outermost | 0.04 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 102 | exec | refwrap.h:313-313,NewTimer.h:242-242,NewTimer.h:249-249,stl_vector.h:806-806,stl_vector.h:933-933,WaveFunction.cpp:198-201 | 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 355 | exec | shared_ptr_base.h:1308-1308,OhmmsVector.h:223-223,TwoBodyJastrowRef.h:269-274,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 387 | 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 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 104 | exec | refwrap.h:313-313,NewTimer.h:242-242,NewTimer.h:249-249,stl_vector.h:806-806,stl_vector.h:933-933,WaveFunction.cpp:225-228 | 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 258 | 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 1058 | 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 992 | exec | DiracDeterminantRef.cpp:157-157,DiracDeterminantRef.cpp:173-173,DiracDeterminantRef.cpp:178-178,TinyVectorOps.h:131-131,OperatorTags.h:94-94,TinyVector.h:62-62,TinyVector.h:169-169,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 300 | 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 878 | exec | MultiBsplineRef.hpp:226-226,MultiBsplineRef.hpp:234-236,MultiBsplineRef.hpp:244-244,MultiBsplineRef.hpp:247-247 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&) | InBetween | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1238 | exec | ParticleSet.cpp:389-390,stl_vector.h:806-806,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 2088 | exec | ParticleBConds3DSoa.h:284-286,ParticleBConds3DSoa.h:289-289,ParticleBConds3DSoa.h:294-296,SoaDistanceTableABOMPTarget.h:214-214,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 365 | exec | shared_ptr_base.h:1308-1308,OhmmsVector.h:223-223,TwoBodyJastrowRef.h:269-274,ParticleSet.h:313-316 | 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 2091 | exec | SoaDistanceTableABOMPTarget.h:194-196 | qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&) | Single | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 869 | exec | stl_algobase.h:200-200,stl_algobase.h:366-368,stl_vector.h:933-933,stl_vector.h:1056-1056,einspline_spo_ref.hpp:183-187,stl_algo.h:782-782 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&) | Single | 0.02 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1232 | 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 370 | exec | VectorSoAContainer.h:244-244,VectorSoAContainer.h:263-263,VectorSoAContainer.h:273-273,OhmmsVector.h:223-223,OhmmsVector.h:229-229,OhmmsVector.h:249-249,stl_numeric.h:126-127,stl_algobase.h:752-754,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:386-391,TwoBodyJastrowRef.h:397-397,TwoBodyJastrowRef.h:420-420,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 | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1559 | 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 1369 | 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 989 | 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 969 | exec | DelayedUpdate.h:160-160,DelayedUpdate.h:186-187 | qmcplusplus::DelayedUpdate::updateInvMat(qmcplusplus::Matrix >&) | Single | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 302 | 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 1560 | 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 | 0.03 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 110 | 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 1368 | 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 43 | exec | random.h:1726-1726,random.h:1730-1730,random.h:1814-1814,random.h:1823-1823,RandomGenerator.h:51-55,random.tcc:419-419,random.tcc:3324-3324,random.tcc:3334-3335,random.tcc:3338-3338 | main.extracted.110 | InBetween | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 988 | 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 1555 | 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 1859 | 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 | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 367 | 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 874 | exec | VectorSoAContainer.h:231-231,stl_vector.h:933-933,einspline_spo_ref.hpp:219-219,einspline_spo_ref.hpp:222-223 | 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 1557 | 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 281 | exec | OneBodyJastrowRef.h:169-169,OperatorTags.h:94-94 | 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 106 | 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 388 | exec | shared_ptr_base.h:1308-1308,OhmmsVector.h:223-223,TwoBodyJastrowRef.h:269-274,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 954 | 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 51 | exec | random.tcc:401-406,random.tcc:413-413,random.tcc:417-420,random.tcc:455-455,random.tcc:459-463,random.tcc:3329-3332 | main.extracted.110 | InBetween | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 290 | exec | VectorSoAContainer.h:273-273,OhmmsVector.h:223-223,OhmmsVector.h:249-249,OneBodyJastrowRef.h:109-113,OneBodyJastrowRef.h:166-166,OneBodyJastrowRef.h:186-188,OneBodyJastrowRef.h:192-194,stl_numeric.h:126-127,stl_iterator.h:784-784,stl_iterator.h:887-887,TinyVector.h:169-169,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 57 | 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 44 | exec | random.tcc:401-406,random.tcc:413-413,random.tcc:417-420,random.tcc:455-455,random.tcc:459-463,random.tcc:3329-3332 | main.extracted.110 | InBetween | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1283 | exec | VirtualParticleSet.cpp:119-120,OhmmsVector.h:178-178,OhmmsVector.h:223-223,OhmmsVector.h:229-229,OperatorTags.h:43-43,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 47 | exec | random.tcc:401-406,random.tcc:413-413,random.tcc:417-420,random.tcc:455-455,random.tcc:459-463,random.tcc:3329-3332 | main.extracted.110 | InBetween | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 285 | 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 347 | 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 99 | exec | OhmmsVector.h:379-379,TinyVector.h:164-164 | qmcplusplus::WaveFunction::evaluateLog(qmcplusplus::ParticleSet&) | Single | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 284 | 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 306 | exec | BsplineFunctor.h:246-260 | 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 50 | exec | random.h:1726-1726,random.h:1730-1730,random.h:1814-1814,random.h:1823-1823,random.tcc:419-419,random.tcc:3325-3325,random.tcc:3334-3335,random.tcc:3338-3338,StdRandom.h:102-103 | main.extracted.110 | InBetween | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 987 | 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 353 | 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 49 | exec | random.tcc:409-414 | main.extracted.110 | Innermost | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 48 | exec | random.tcc:401-406 | main.extracted.110 | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 382 | 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 32 | exec | random.tcc:401-406,random.tcc:413-413,random.tcc:417-420,random.tcc:455-455,random.tcc:459-463,random.tcc:3329-3332 | main.extracted.110 | InBetween | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1332 | exec | VectorSoAContainer.h:41-41,stl_uninitialized.h:526-526 | std::vector >, std::allocator > > >::resize(unsigned long) | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1544 | 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 885 | 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 1534 | 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 1242 | 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 975 | exec | DiracDeterminantRef.cpp:238-238,DiracDeterminantRef.cpp:247-247,DiracDeterminantRef.cpp:252-252,TinyVectorOps.h:131-131,OperatorTags.h:94-94,TinyVector.h:62-62,TinyVector.h:169-169,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 384 | 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 1115 | exec | TinyVectorTensorOps.h:150-152,ParticleIOUtility.h:71-90,OhmmsVector.h:223-223,ostream:564-564,InfoStream.h:37-37,OperatorTags.h:43-43,ParticleSet.h:127-127,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 984 | 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 882 | 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 1321 | 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 951 | exec | std_abs.h:71-71,DiracMatrix.h:31-35 | 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 386 | 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 380 | 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 378 | 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 372 | exec | TwoBodyJastrowRef.h:397-398 | 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 1114 | exec | ParticleIOUtility.h:70-70,ParticleIOUtility.h:79-79,OhmmsVector.h:61-61,OperatorTags.h:43-43,OperatorTags.h:63-63 | 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 371 | exec | TwoBodyJastrowRef.h:397-398 | 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 859 | exec | random.tcc:3325-3325,random.tcc:3334-3335,random.tcc:3338-3338,StdRandom.h:102-103 | 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 855 | 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 369 | exec | TwoBodyJastrowRef.h:397-398 | 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 109 | 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 986 | 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 |