| 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 (%) | 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 1213 | exec | ParticleBConds.h:188-217 | qmcplusplus::DistanceTableAA::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int) | Single | 18.86 | 18.86 | 29.97 | 2.10 | 1.00 | 6.18 | 1.33 | 1 | 35.14 | 33.45 | 25.25 | 12.00 | 25.25 | 4.08 | 19.00 |
| ○Loop 755 | exec | MultiBsplineRef.hpp:72-74 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&) | Single | 6.2 | 6.2 | 9.85 | 1.00 | 1.00 | 1.00 | 1.00 | 1 | 100.00 | 100.00 | 3.00 | 3.00 | 3.00 | 3.00 | 3.00 |
| ○Loop 812 | exec | MultiBsplineRef.hpp:252-270 | void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long) | Innermost | 4.7 | 4.7 | 7.47 | 1.00 | 1.00 | 1.00 | 1.00 | 1 | 100.00 | 100.00 | 12.50 | 12.50 | 12.50 | 12.50 | 12.50 |
| ○Loop 1205 | exec | ParticleBConds.h:188-217 | qmcplusplus::DistanceTableAA::evaluate(qmcplusplus::ParticleSet&, int) | Single | 3.96 | 3.96 | 6.28 | 2.10 | 1.00 | 6.18 | 1.33 | 1 | 35.14 | 33.45 | 25.25 | 12.00 | 25.25 | 4.08 | 19.00 |
| ○Loop 1249 | exec | ParticleBConds.h:189-217,TinyVector.h:177-177 | qmcplusplus::DistanceTableBA::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int) | Single | 1.3 | 1.3 | 2.07 | 1.86 | 1.00 | 4.00 | 1.34 | 1 | 28.95 | 32.24 | 23.50 | 12.67 | 23.50 | 5.88 | 17.50 |
| ○Loop 1207 | exec | ParticleBConds.h:188-217 | qmcplusplus::DistanceTableAA::evaluate(qmcplusplus::ParticleSet&) | Innermost | 0.75 | 0.75 | 1.19 | 2.16 | 1.00 | 6.18 | 1.33 | 1 | 38.89 | 34.38 | 25.25 | 11.67 | 25.25 | 4.08 | 19.00 |
| ○Loop 322 | exec | BsplineFunctor.h:236-241 | miniqmcreference::TwoBodyJastrowRef >::ratio(qmcplusplus::ParticleSet&, int) | Innermost | 0.52 | 0.52 | 0.83 | 1.59 | 1.00 | 5.67 | 11.33 | 6561 | 0.00 | 19.17 | 8.50 | 5.33 | 8.50 | 1.50 | 0.75 |
| ○Loop 642 | exec | TwoBodyJastrowRef.h:153-154 | miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.46 | 0.46 | 0.74 | 1.00 | 1.00 | 4.00 | 1.00 | 1 | 0.00 | 25.00 | 16.00 | 16.00 | 16.00 | 4.00 | 16.00 |
| ○Loop 1242 | exec | ParticleBConds.h:189-217,TinyVector.h:177-177 | qmcplusplus::DistanceTableBA::evaluate(qmcplusplus::ParticleSet&, int) | Single | 0.27 | 0.27 | 0.43 | 1.86 | 1.00 | 4.00 | 1.34 | 1 | 28.95 | 32.24 | 23.50 | 12.67 | 23.50 | 5.88 | 17.50 |
| ○Loop 903 | exec | inner_product.hpp:81-82 | miniqmcreference::DiracDeterminantRef >::ratio(qmcplusplus::ParticleSet&, int) | Single | 0.26 | 0.26 | 0.41 | 1.00 | 1.00 | 4.00 | 1.00 | 1 | 0.00 | 25.00 | 16.00 | 16.00 | 16.00 | 4.00 | 16.00 |
| ○Loop 639 | exec | TwoBodyJastrowRef.h:340-345 | miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int) | Single | 0.24 | 0.24 | 0.37 | 1.00 | 1.00 | 4.00 | 1.00 | 1 | 0.00 | 25.00 | 8.00 | 8.00 | 8.00 | 2.00 | 8.00 |
| ○Loop 637 | exec | BsplineFunctor.h:291-297 | miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool) | Innermost | 0.21 | 0.21 | 0.33 | 2.11 | 1.00 | 6.75 | 45.00 | 6561 | 0.00 | 18.75 | 11.25 | 5.33 | 11.25 | 1.67 | 0.25 |
| ○Loop 900 | exec | OperatorTags.h:63-63,OperatorTags.h:94-94,inner_product.hpp:154-154 | miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int) | Single | 0.21 | 0.2 | 0.33 | 1.00 | 1.00 | 3.33 | 1.00 | 1 | 40.00 | 35.00 | 8.00 | 8.00 | 8.00 | 2.40 | 8.00 |
| ○Loop 640 | exec | stl_vector.h:1043-1043,TwoBodyJastrowRef.h:322-329 | miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int) | Innermost | 0.18 | 0.18 | 0.29 | 1.00 | 1.00 | 4.00 | 1.67 | 1 | 0.00 | 25.00 | 13.33 | 13.33 | 13.33 | 3.33 | 8.00 |
| ○Loop 809 | exec | MultiBsplineRef.hpp:287-295 | void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long) | Innermost | 0.17 | 0.17 | 0.28 | 1.00 | 1.00 | 1.00 | 2.00 | 1 | 100.00 | 100.00 | 9.00 | 9.00 | 9.00 | 9.00 | 4.50 |
| ○Loop 644 | exec | stl_numeric.h:140-141 | miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.17 | 0.17 | 0.26 | 1.00 | 1.00 | 3.60 | 1.00 | 1 | 33.33 | 33.33 | 16.00 | 16.00 | 16.00 | 4.44 | 16.00 |
| ○Loop 814 | exec | OperatorTags.h:183-183,einspline_spo_ref.hpp:223-227,TinyVector.h:146-146 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&) | Innermost | 0.14 | 0.14 | 0.22 | 1.00 | 1.00 | 3.60 | 12.00 | 1 | 11.11 | 27.78 | 12.00 | 12.00 | 12.00 | 3.33 | 1.00 |
| ○Loop 920 | exec | inner_product.hpp:210-211 | miniqmcreference::DiracDeterminantRef >::invertPsiM(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&) | Innermost | 0.11 | 0.11 | 0.17 | 1.00 | 1.00 | 3.70 | 1.00 | 1 | 14.29 | 28.57 | 7.00 | 7.00 | 7.00 | 1.89 | 7.00 |
| ○Loop 932 | exec | OperatorTags.h:63-63,OperatorTags.h:94-94,inner_product.hpp:154-154 | miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.11 | 0.11 | 0.17 | 1.00 | 1.00 | 3.46 | 1.00 | 1 | 38.46 | 34.62 | 8.00 | 8.00 | 8.00 | 2.31 | 8.00 |
| ○Loop 754 | exec | BsplineAllocator.hpp:179-180 | qmcplusplus::BsplineAllocator >::setCoefficientsForOrbitals(int, int, Array&, multi_UBspline_3d_d*) [clone ._omp_fn.0] | Innermost | 0.1 | 0.1 | 0.16 | 1.00 | 1.00 | 4.00 | 4.00 | 1 | 0.00 | 25.00 | 8.00 | 8.00 | 8.00 | 2.00 | 2.00 |
| ○Loop 894 | exec | inner_product.hpp:81-82 | miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.08 | 0.08 | 0.13 | 1.00 | 1.00 | 4.00 | 1.00 | 1 | 0.00 | 25.00 | 16.00 | 16.00 | 16.00 | 4.00 | 16.00 |
| ○Loop 323 | exec | BsplineFunctor.h:246-260,stl_vector.h:1061-1061 | miniqmcreference::TwoBodyJastrowRef >::ratio(qmcplusplus::ParticleSet&, int) | Single | 0.08 | 0.08 | 0.13 | 2.43 | 1.00 | 6.88 | 1.12 | 1 | 37.50 | 32.81 | 11.75 | 4.83 | 11.75 | 1.71 | 10.50 |
| ○Loop 893 | exec | OperatorTags.h:63-63,OperatorTags.h:94-94,inner_product.hpp:154-154 | miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.08 | 0.08 | 0.13 | 1.00 | 1.00 | 3.78 | 1.00 | 1 | 12.50 | 28.13 | 8.00 | 8.00 | 8.00 | 2.11 | 8.00 |
| ○Loop 930 | exec | inner_product.hpp:81-82 | miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.07 | 0.07 | 0.12 | 1.00 | 1.00 | 4.00 | 1.00 | 1 | 0.00 | 25.00 | 16.00 | 16.00 | 16.00 | 4.00 | 16.00 |
| ○Loop 1241 | exec | ParticleBConds.h:249-278,DistanceTableBA.h:99-99 | qmcplusplus::DistanceTableBA::evaluate(qmcplusplus::ParticleSet&) | Innermost | 0.06 | 0.06 | 0.1 | 2.21 | 1.00 | 7.70 | 1.36 | 1 | 0.00 | 24.65 | 25.75 | 11.67 | 25.75 | 3.34 | 19.00 |
| ○Loop 42 | exec | OperatorTags.h:53-53,OperatorTags.h:63-63,miniqmc.cpp:478-488,refwrap.h:338-338,TinyVector.h:146-146,stl_vector.h:1046-1046,VectorSoAContainer.h:203-203,TinyVectorOps.h:85-85 | main._omp_fn.1 | Innermost | 0.04 | 0.04 | 0.07 | 2.00 | 1.00 | 4.80 | 8.00 | 1 | 14.29 | 26.79 | 6.00 | 3.00 | 6.00 | 1.25 | 0.75 |
| ○Loop 654 | exec | TwoBodyJastrowRef.h:379-380 | miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&) | Innermost | 0.04 | 0.04 | 0.07 | 1.00 | 1.00 | 4.00 | 1.00 | 1 | 0.00 | 25.00 | 16.00 | 16.00 | 16.00 | 4.00 | 16.00 |
| ○Loop 680 | exec | OneBodyJastrowRef.h:196-197 | miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Innermost | 0.04 | 0.04 | 0.07 | 1.00 | 1.00 | 4.00 | 1.00 | 1 | 0.00 | 25.00 | 16.00 | 16.00 | 16.00 | 4.00 | 16.00 |
| ○Loop 757 | exec | stl_algobase.h:923-924,MultiBsplineRef.hpp:42-44,MultiBsplineRef.hpp:47-49,MultiBsplineRef.hpp:57-58,MultiBsplineRef.hpp:63-69,MultiBsplineRef.hpp:73-73,einspline_spo_ref.hpp:175-176,MultiBsplineData.hpp:54-57,stl_vector.h:1169-1169,MultiBsplineEvalHelper.hpp:55-55,MultiBsplineEvalHelper.hpp:62-65 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&) | Outermost | 0.04 | 0.04 | 0.06 | 3.56 | 1.00 | 1.19 | 2.27 | 1 | 15.15 | 31.25 | 25.50 | 7.17 | 25.50 | 21.50 | 11.25 |
| ○Loop 729 | exec | BsplineFunctor.h:236-241 | qmcplusplus::BsplineFunctor::evaluateV(int, int, int, double const*, double*) const | Single | 0.04 | 0.04 | 0.06 | 1.59 | 1.00 | 5.67 | 17.00 | 6561 | 0.00 | 18.95 | 8.50 | 5.33 | 8.50 | 1.50 | 0.50 |
| ○Loop 635 | exec | BsplineFunctor.h:305-336,stl_vector.h:1061-1061 | miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool) | Single | 0.03 | 0.03 | 0.06 | 1.00 | 1.00 | 1.01 | 1.36 | 1 | 86.83 | 98.20 | 69.50 | 69.50 | 69.50 | 68.53 | 51.00 |
| ○Loop 653 | exec | TwoBodyJastrowRef.h:386-389 | miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&) | Innermost | 0.03 | 0.03 | 0.05 | 1.00 | 1.00 | 4.00 | 3.11 | 1 | 0.00 | 25.00 | 9.33 | 9.33 | 9.33 | 2.33 | 3.00 |
| ○Loop 652 | exec | TwoBodyJastrowRef.h:395-396 | miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&) | Innermost | 0.02 | 0.02 | 0.04 | 1.00 | 1.00 | 4.00 | 5.33 | 1 | 0.00 | 25.00 | 10.67 | 10.67 | 10.67 | 2.67 | 2.00 |
| ○Loop 910 | exec | OperatorTags.h:183-183,stl_algobase.h:911-911 | miniqmcreference::DiracDeterminantRef >::resize(int, int) | Innermost | 0.02 | 0.02 | 0.04 | 1.00 | NA | NA | 6.00 | 1 | NA | NA | 6.00 | 6.00 | NA | NA | 1.00 |
| ○Loop 655 | exec | TwoBodyJastrowRef.h:373-374 | miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&) | Innermost | 0.02 | 0.02 | 0.03 | 1.00 | 1.00 | 4.00 | 1.00 | 1 | 0.00 | 25.00 | 16.00 | 16.00 | 16.00 | 4.00 | 16.00 |
| ○Loop 928 | exec | inner_product.hpp:81-82 | miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&) | Innermost | 0.02 | 0.02 | 0.03 | 1.00 | 1.00 | 4.00 | 1.00 | 1 | 0.00 | 25.00 | 16.00 | 16.00 | 16.00 | 4.00 | 16.00 |
| ○Loop 647 | exec | BsplineFunctor.h:291-297 | miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&) | Innermost | 0.02 | 0.02 | 0.03 | 2.11 | 1.00 | 6.75 | 45.00 | 6561 | 0.00 | 18.75 | 11.25 | 5.33 | 11.25 | 1.67 | 0.25 |
| ○Loop 44 | exec | OperatorTags.h:183-183,miniqmc.cpp:422-453,refwrap.h:338-338,stl_vector.h:1046-1046 | main._omp_fn.1 | Innermost | 0.01 | 0.01 | 0.02 | 6.40 | 1.00 | 6.65 | 8.00 | 2 | 10.71 | 25.00 | 8.00 | 1.25 | 8.00 | 1.20 | 1.00 |
| ○Loop 656 | exec | stl_numeric.h:140-141 | miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&) | Innermost | 0.01 | 0.01 | 0.02 | 1.00 | 1.00 | 3.60 | 1.00 | 1 | 33.33 | 33.33 | 16.00 | 16.00 | 16.00 | 4.44 | 16.00 |
| ○Loop 1351 | exec | stl_tree.h:779-779,stl_tree.h:788-788,stl_tree.h:1902-1904,NewTimer.h:119-119 | qmcplusplus::TimerType::stop() | Single | 0.01 | 0.01 | 0.02 | 1.00 | 1.00 | 4.00 | 2.50 | 5 | 0.00 | 25.00 | 2.50 | 2.50 | 2.50 | 0.63 | 1.00 |
| ○Loop 681 | exec | OneBodyJastrowRef.h:190-191 | miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.01 | 0.01 | 0.02 | 1.00 | 1.00 | 4.00 | 1.00 | 1 | 0.00 | 25.00 | 16.00 | 16.00 | 16.00 | 4.00 | 16.00 |
| ○Loop 926 | exec | OperatorTags.h:63-63,OperatorTags.h:94-94,inner_product.hpp:154-154 | miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&) | Innermost | 0.01 | 0.01 | 0.02 | 1.00 | 1.00 | 3.46 | 1.00 | 1 | 38.46 | 34.62 | 8.00 | 8.00 | 8.00 | 2.31 | 8.00 |
| ○Loop 41 | exec | miniqmc.cpp:476-478 | main._omp_fn.1 | InBetween | 0.01 | 0.01 | 0.02 | 1.00 | 1.00 | 5.83 | 1.00 | 4 | 0.00 | 21.35 | 3.00 | 3.00 | 3.00 | 0.51 | 3.00 |
| ○Loop 716 | exec | OneBodyJastrowRef.h:196-197 | miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&) | Innermost | 0.01 | 0.01 | 0.02 | 1.00 | 1.00 | 4.00 | 1.00 | 1 | 0.00 | 25.00 | 16.00 | 16.00 | 16.00 | 4.00 | 16.00 |
| ○Loop 663 | exec | BsplineFunctor.h:291-297 | qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const | Innermost | 0.01 | 0.01 | 0.02 | 2.11 | 1.00 | 6.75 | 45.00 | 6561 | 0.00 | 17.63 | 11.25 | 5.33 | 11.25 | 1.67 | 0.25 |
| ○Loop 730 | exec | BsplineFunctor.h:246-260 | qmcplusplus::BsplineFunctor::evaluateV(int, int, int, double const*, double*) const | Single | 0.01 | 0.01 | 0.02 | 2.30 | 1.00 | 7.08 | 1.10 | 1 | 23.53 | 29.41 | 11.50 | 5.00 | 11.50 | 1.63 | 10.50 |
| ○Loop 636 | exec | BsplineFunctor.h:276-276,BsplineFunctor.h:283-284,BsplineFunctor.h:291-298,TwoBodyJastrowRef.h:266-268,TwoBodyJastrowRef.h:276-276,ParticleSet.h:302-302,ParticleSet.h:305-305 | miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool) | Outermost | 0.01 | 0.01 | 0.02 | 2.18 | 1.00 | 5.91 | 31.25 | 1 | 8.89 | 20.56 | 15.63 | 7.17 | 15.63 | 2.65 | 0.50 |
| ○Loop 137 | exec | refwrap.h:338-338,WaveFunction.cpp:204-207,stl_vector.h:919-919,NewTimer.h:242-242,NewTimer.h:249-249 | qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Innermost | 0.01 | 0.01 | 0.02 | 1.00 | 1.00 | 7.62 | 1.00 | 1 | 0.00 | 18.75 | 3.00 | 3.00 | 3.00 | 0.39 | 3.00 |
| ○Loop 1347 | exec | NewTimer.cpp:98-111,NewTimer.cpp:120-120,stl_tree.h:273-273,stl_tree.h:302-303,stl_tree.h:735-735,stl_tree.h:750-750,stl_tree.h:1902-1902,stl_tree.h:2066-2066,stl_tree.h:2075-2075,stl_tree.h:2080-2080,stl_tree.h:2172-2172,stl_tree.h:2201-2201,stl_tree.h:2331-2331,stl_tree.h:2335-2338,stl_tree.h:2435-2435,tuple:1771-1772,new_allocator.h:121-121,new_allocator.h:139-139,Clock.h:33-33,NewTimer.h:119-121 | qmcplusplus::TimerType::stop() | InBetween | 0.01 | 0.01 | 0.02 | 6.30 | 1.00 | 7.10 | 6.30 | 1 | 2.04 | 20.92 | 31.50 | 5.00 | 31.50 | 4.44 | 5.00 |
| ○Loop 1345 | exec | NewTimer.cpp:53-58,NewTimer.cpp:75-75,NewTimer.cpp:81-81,Clock.h:33-33 | qmcplusplus::TimerType::start() | Outermost | 0.01 | 0.01 | 0.02 | 5.00 | 1.00 | 8.00 | 5.00 | 1 | 0.00 | 13.39 | 8.75 | 1.75 | 8.75 | 1.09 | 1.75 |
| ○Loop 321 | exec | BsplineFunctor.h:232-232,BsplineFunctor.h:236-241,BsplineFunctor.h:246-246,stl_vector.h:1043-1043,TwoBodyJastrowRef.h:125-127,ParticleSet.h:305-305 | miniqmcreference::TwoBodyJastrowRef >::ratio(qmcplusplus::ParticleSet&, int) | Outermost | 0.01 | 0.01 | 0.02 | 2.61 | 1.00 | 7.65 | 27.00 | 1 | 0.00 | 17.50 | 13.50 | 5.17 | 13.50 | 1.77 | 0.50 |
| ○Loop 804 | exec | random.tcc:455-463,random.tcc:3360-3363 | miniqmcreference::einspline_spo_ref::set(int, int, int, int, int, bool) | Innermost | 0 | 0 | 0.01 | 1.00 | 1.00 | 5.05 | 6.00 | 1 | 0.00 | 22.22 | 3.00 | 3.00 | 3.00 | 0.59 | 0.50 |
| ○Loop 1350 | exec | stl_tree.h:779-779,stl_tree.h:788-788,stl_tree.h:1902-1904,NewTimer.h:119-119 | qmcplusplus::TimerType::stop() | Single | 0 | 0 | 0.01 | 1.00 | 1.00 | 4.00 | 2.50 | 5 | 0.00 | 25.00 | 2.50 | 2.50 | 2.50 | 0.63 | 1.00 |
| ○Loop 811 | exec | MultiBsplineRef.hpp:234-234,MultiBsplineRef.hpp:241-246,MultiBsplineRef.hpp:249-249 | void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long) | InBetween | 0 | 0 | 0.01 | 1.66 | 1.00 | 1.89 | 2.21 | 2 | 23.33 | 37.71 | 3.31 | 2.00 | 3.31 | 1.75 | 1.50 |
| ○Loop 709 | exec | stl_numeric.h:140-141 | miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&) | Innermost | 0 | 0 | 0.01 | 1.00 | 1.00 | 3.60 | 1.00 | 1 | 33.33 | 33.33 | 16.00 | 16.00 | 16.00 | 4.44 | 16.00 |
| ○Loop 889 | exec | DiracDeterminantRef.cpp:137-139,string_fortified.h:34-34,OhmmsMatrix.h:217-217,inner_product.hpp:52-53 | miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int) | Innermost | 0 | 0 | 0.01 | 3.91 | 1.00 | 6.88 | 7.17 | 1 | 16.67 | 27.08 | 7.17 | 1.83 | 7.17 | 1.04 | 1.00 |
| ○Loop 641 | exec | OperatorTags.h:181-183,OhmmsVector.h:223-223,stl_vector.h:1046-1046,stl_vector.h:1064-1064,stl_vector.h:1169-1169,TwoBodyJastrowRef.h:315-315,TwoBodyJastrowRef.h:318-318,TwoBodyJastrowRef.h:322-329,TwoBodyJastrowRef.h:332-332,TwoBodyJastrowRef.h:339-340,TwoBodyJastrowRef.h:347-353,VectorSoAContainer.h:216-216,VectorSoAContainer.h:241-241 | miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int) | Outermost | 0 | 0 | 0.01 | 1.51 | 1.00 | 4.77 | 4.33 | 1 | 3.33 | 25.00 | 23.83 | 15.83 | 23.83 | 5.00 | 5.50 |
| ○Loop 1130 | exec | ParticleSet.cpp:337-338,stl_vector.h:1046-1046 | qmcplusplus::ParticleSet::acceptMove(int) | Innermost | 0 | 0 | 0.01 | 1.00 | 1.00 | 8.00 | 5.33 | 1 | 0.00 | 12.50 | 10.67 | 10.67 | 10.67 | 1.33 | 2.00 |
| ○Loop 679 | exec | stl_numeric.h:140-141 | miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0 | 0 | 0.01 | 1.00 | 1.00 | 3.60 | 1.00 | 1 | 33.33 | 33.33 | 16.00 | 16.00 | 16.00 | 4.44 | 16.00 |
| ○Loop 139 | exec | refwrap.h:338-338,WaveFunction.cpp:216-219,stl_vector.h:919-919,NewTimer.h:242-242,NewTimer.h:249-249 | qmcplusplus::WaveFunction::ratio(qmcplusplus::ParticleSet&, int) | Innermost | 0 | 0 | 0.01 | 1.00 | 1.00 | 7.60 | 1.00 | 1 | 0.00 | 18.75 | 3.00 | 3.00 | 3.00 | 0.39 | 3.00 |
| ○Loop 135 | exec | OperatorTags.h:94-94,refwrap.h:338-338,WaveFunction.cpp:191-194,stl_vector.h:919-919,NewTimer.h:242-242,NewTimer.h:249-249 | qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int) | Innermost | 0 | 0 | 0.01 | 2.17 | 1.00 | 4.16 | 4.33 | 1 | 37.50 | 32.81 | 4.33 | 2.00 | 4.33 | 1.04 | 1.00 |
| ○Loop 1087 | exec | ParticleSet.cpp:290-291,stl_vector.h:919-919 | qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&) | Single | 0 | 0 | 0.01 | 1.00 | 1.00 | 6.22 | 1.75 | 1 | 0.00 | 20.83 | 1.75 | 1.75 | 1.75 | 0.28 | 1.00 |
| ○Loop 1083 | exec | ParticleSet.cpp:259-260,stl_vector.h:919-919 | qmcplusplus::ParticleSet::setActive(int) | Single | 0 | 0 | 0.01 | 1.00 | 1.00 | 4.00 | 1.50 | 1 | 0.00 | 25.00 | 1.50 | 1.50 | 1.50 | 0.38 | 1.00 |
| ○Loop 899 | exec | DiracDeterminantRef.cpp:89-91,OperatorTags.h:183-183,inner_product.hpp:154-154,stl_algo.h:751-751 | miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int) | Single | 0 | 0 | 0.01 | 1.00 | 1.00 | 4.00 | 8.00 | 1 | 0.00 | 25.00 | 4.00 | 4.00 | 4.00 | 1.00 | 0.50 |
| ○Loop 892 | exec | DiracDeterminantRef.cpp:111-118,OhmmsMatrix.h:214-214,OperatorTags.h:94-94,OhmmsVector.h:248-248,inner_product.hpp:154-154,stl_algo.h:751-751,DelayedUpdate.h:98-101 | miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0 | 0 | 0.01 | 3.21 | 1.00 | 3.75 | 6.00 | 1 | 28.57 | 32.14 | 7.50 | 2.33 | 7.50 | 2.00 | 1.25 |
| ○Loop 134 | exec | WaveFunction.cpp:189-191,WaveFunction.cpp:197-197,stl_vector.h:919-919 | qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int) | Outermost | 0 | 0 | 0.01 | 1.00 | 1.00 | 4.00 | 3.25 | 1 | 0.00 | 25.00 | 4.33 | 4.33 | 4.33 | 1.08 | 1.33 |
