| 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 | 0.32 | 0.32 | 39.16 | 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 | 0.11 | 0.11 | 13.86 | 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 | 0.07 | 0.07 | 8.43 | 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 | 0.07 | 0.07 | 8.43 | 2.10 | 1.00 | 6.18 | 1.33 | 1 | 35.14 | 33.45 | 25.25 | 12.00 | 25.25 | 4.08 | 19.00 |
| ○Loop 322 | exec | BsplineFunctor.h:236-241 | miniqmcreference::TwoBodyJastrowRef >::ratio(qmcplusplus::ParticleSet&, int) | Innermost | 0.02 | 0.02 | 2.41 | 1.59 | 1.00 | 5.67 | 11.33 | 6561 | 0.00 | 19.17 | 8.50 | 5.33 | 8.50 | 1.50 | 0.75 |
| ○Loop 1249 | exec | TinyVector.h:177-177,ParticleBConds.h:189-217 | qmcplusplus::DistanceTableBA::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int) | Single | 0.02 | 0.02 | 2.41 | 1.86 | 1.00 | 4.00 | 1.34 | 1 | 28.95 | 32.24 | 23.50 | 12.67 | 23.50 | 5.88 | 17.50 |
| ○Loop 323 | exec | BsplineFunctor.h:246-260,stl_vector.h:1061-1061 | miniqmcreference::TwoBodyJastrowRef >::ratio(qmcplusplus::ParticleSet&, int) | Single | 0.01 | 0.01 | 1.81 | 2.43 | 1.00 | 6.88 | 1.12 | 1 | 37.50 | 32.81 | 11.75 | 4.83 | 11.75 | 1.71 | 10.50 |
| ○Loop 637 | exec | BsplineFunctor.h:291-297 | miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool) | Innermost | 0.01 | 0.01 | 1.2 | 2.11 | 1.00 | 6.75 | 45.00 | 6561 | 0.00 | 18.75 | 11.25 | 5.33 | 11.25 | 1.67 | 0.25 |
| ○Loop 640 | exec | TwoBodyJastrowRef.h:322-329,stl_vector.h:1043-1043 | miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int) | Innermost | 0.01 | 0.01 | 1.2 | 1.00 | 1.00 | 4.00 | 1.67 | 1 | 0.00 | 25.00 | 13.33 | 13.33 | 13.33 | 3.33 | 8.00 |
| ○Loop 1207 | exec | ParticleBConds.h:188-217 | qmcplusplus::DistanceTableAA::evaluate(qmcplusplus::ParticleSet&) | Innermost | 0.01 | 0.01 | 1.2 | 2.16 | 1.00 | 6.18 | 1.33 | 1 | 38.89 | 34.38 | 25.25 | 11.67 | 25.25 | 4.08 | 19.00 |
| ○Loop 51 | exec | random.tcc:401-406,random.tcc:409-414,random.tcc:417-422,random.tcc:455-455,random.tcc:462-462,random.tcc:3358-3359,random.tcc:3363-3366,random.tcc:3369-3369,random.h:1870-1870,RandomGenerator.h:51-55 | main._omp_fn.1 | InBetween | 0 | 0 | 0.6 | 9.13 | 1.00 | 5.46 | 6.08 - 6.64 | 197 | 6.00 | 26.00 | 18.25 | 2.00 | 18.25 | 3.34 | 3.00 - 2.75 |
| ○Loop 932 | exec | inner_product.hpp:154-154,OperatorTags.h:63-63,OperatorTags.h:94-94 | miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0 | 0 | 0.6 | 1.00 | 1.00 | 3.46 | 1.00 | 1 | 38.46 | 34.62 | 8.00 | 8.00 | 8.00 | 2.31 | 8.00 |
| ○Loop 758 | exec | einspline_spo_ref.hpp:183-187,stl_algobase.h:431-431,stl_vector.h:1169-1169,stl_algo.h:751-751 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&) | Innermost | 0 | 0 | 0.6 | 1.00 | 1.00 | 7.30 | 2.63 | 2 | 0.00 | 14.58 | 2.63 | 2.63 | 2.63 | 0.36 | 1.00 |
| ○Loop 1241 | exec | ParticleBConds.h:249-278,DistanceTableBA.h:99-99 | qmcplusplus::DistanceTableBA::evaluate(qmcplusplus::ParticleSet&) | Innermost | 0 | 0 | 0.6 | 2.21 | 1.00 | 7.70 | 1.36 | 1 | 0.00 | 24.65 | 25.75 | 11.67 | 25.75 | 3.34 | 19.00 |
| ○Loop 894 | exec | inner_product.hpp:81-82 | miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0 | 0 | 0.6 | 1.00 | 1.00 | 4.00 | 1.00 | 1 | 0.00 | 25.00 | 16.00 | 16.00 | 16.00 | 4.00 | 16.00 |
| ○Loop 903 | exec | inner_product.hpp:81-82 | miniqmcreference::DiracDeterminantRef >::ratio(qmcplusplus::ParticleSet&, int) | Single | 0 | 0 | 0.6 | 1.00 | 1.00 | 4.00 | 1.00 | 1 | 0.00 | 25.00 | 16.00 | 16.00 | 16.00 | 4.00 | 16.00 |
| ○Loop 900 | exec | inner_product.hpp:154-154,OperatorTags.h:63-63,OperatorTags.h:94-94 | miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int) | Single | 0 | 0 | 0.6 | 1.00 | 1.00 | 3.33 | 1.00 | 1 | 40.00 | 35.00 | 8.00 | 8.00 | 8.00 | 2.40 | 8.00 |
| ○Loop 893 | exec | inner_product.hpp:154-154,OperatorTags.h:63-63,OperatorTags.h:94-94 | miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0 | 0 | 0.6 | 1.00 | 1.00 | 3.78 | 1.00 | 1 | 12.50 | 28.13 | 8.00 | 8.00 | 8.00 | 2.11 | 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 | 0 | 0.6 | 1.00 | 1.00 | 1.00 | 2.00 | 1 | 100.00 | 100.00 | 9.00 | 9.00 | 9.00 | 9.00 | 4.50 |
| ○Loop 754 | exec | BsplineAllocator.hpp:179-180 | qmcplusplus::BsplineAllocator >::setCoefficientsForOrbitals(int, int, Array&, multi_UBspline_3d_d*) [clone ._omp_fn.0] | Innermost | 0 | 0 | 0.6 | 1.00 | 1.00 | 4.00 | 4.00 | 1 | 0.00 | 25.00 | 8.00 | 8.00 | 8.00 | 2.00 | 2.00 |
| ○Loop 1242 | exec | TinyVector.h:177-177,ParticleBConds.h:189-217 | qmcplusplus::DistanceTableBA::evaluate(qmcplusplus::ParticleSet&, int) | Single | 0 | 0 | 0.6 | 1.86 | 1.00 | 4.00 | 1.34 | 1 | 28.95 | 32.24 | 23.50 | 12.67 | 23.50 | 5.88 | 17.50 |
| ○Loop 1087 | exec | stl_vector.h:919-919,ParticleSet.cpp:290-291 | qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&) | Single | 0 | 0 | 0.6 | 1.00 | 1.00 | 6.22 | 1.75 | 1 | 0.00 | 20.83 | 1.75 | 1.75 | 1.75 | 0.28 | 1.00 |
| ○Loop 899 | exec | inner_product.hpp:154-154,OperatorTags.h:183-183,DiracDeterminantRef.cpp:89-91,stl_algo.h:751-751 | miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int) | Single | 0 | 0 | 0.6 | 1.00 | 1.00 | 4.00 | 8.00 | 1 | 0.00 | 25.00 | 4.00 | 4.00 | 4.00 | 1.00 | 0.50 |
| ○Loop 642 | exec | TwoBodyJastrowRef.h:153-154 | miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0 | 0 | 0.6 | 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 | 0 | 0.6 | 1.00 | 1.00 | 4.00 | 1.00 | 1 | 0.00 | 25.00 | 8.00 | 8.00 | 8.00 | 2.00 | 8.00 |
