| 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 1293 | exec | TinyVector.h:177-177,ParticleBConds.h:185-201,ParticleBConds.h:209-217 | void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer > >(qmcplusplus::TinyVector const&, qmcplusplus::VectorSoAContainer > const&, double*, qmcplusplus::VectorSoAContainer >&, int, int, int) const | Single | 0.16 | 0.16 | 26.05 | 1.00 | 1.00 | 1.07 | 1.36 | 1 | 69.38 | 76.93 | 55.00 | 55.00 | 55.00 | 51.61 | 40.50 |
| ○Loop 944 | exec | MultiBsplineRef.hpp:250-270 | void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long) | Innermost | 0.12 | 0.12 | 19.33 | 1.00 | 1.82 | 1.72 | 1.35 | 1 | 98.70 | 65.26 | 15.50 | 15.50 | 8.50 | 9.00 | 11.50 |
| ○Loop 933 | exec | MultiBsplineRef.hpp:71-74 | void miniqmcreference::MultiBsplineEvalRef::evaluate_v(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, unsigned long) | Innermost | 0.04 | 0.04 | 7.56 | 1.09 | 1.92 | 1.32 | 1.20 | 1 | 94.12 | 66.18 | 3.00 | 2.75 | 1.56 | 2.28 | 2.50 |
| ○Loop 930 | exec | MultiBsplineRef.hpp:71-74 | void miniqmcreference::MultiBsplineEvalRef::evaluate_v(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, unsigned long) | Innermost | 0.04 | 0.04 | 7.56 | 1.09 | 1.92 | 1.32 | 1.20 | 1 | 94.12 | 66.18 | 3.00 | 2.75 | 1.56 | 2.28 | 2.50 |
| ○Loop 324 | exec | BsplineFunctor.h:236-241 | qmcplusplus::BsplineFunctor::evaluateV(int, int, int, double const*, double*) const | Single | 0.04 | 0.04 | 6.72 | 1.80 | 1.00 | 6.00 | 6.00 | 1 | 0.00 | 20.00 | 1.50 | 0.83 | 1.50 | 0.25 | 0.25 |
| ○Loop 932 | exec | MultiBsplineRef.hpp:71-74 | void miniqmcreference::MultiBsplineEvalRef::evaluate_v(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, unsigned long) | Innermost | 0.03 | 0.03 | 5.04 | 1.09 | 1.92 | 1.32 | 1.20 | 1 | 94.12 | 66.18 | 3.00 | 2.75 | 1.56 | 2.28 | 2.50 |
| ○Loop 321 | exec | BsplineFunctor.h:291-298 | qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const | Single | 0.02 | 0.02 | 3.36 | 1.25 | 1.00 | 5.00 | 1.25 | 2 | 0.00 | 23.44 | 1.25 | 1.00 | 1.25 | 0.25 | 1.00 |
| ○Loop 931 | exec | MultiBsplineRef.hpp:71-74 | void miniqmcreference::MultiBsplineEvalRef::evaluate_v(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, unsigned long) | Innermost | 0.02 | 0.02 | 3.36 | 1.09 | 1.92 | 1.32 | 1.20 | 1 | 94.12 | 66.18 | 3.00 | 2.75 | 1.56 | 2.28 | 2.50 |
| ○Loop 1050 | exec | inner_product.hpp:154-154,OperatorTags.h:94-94 | miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int) | Single | 0.01 | 0.01 | 1.68 | 1.00 | 1.00 | 1.23 | 1.33 | 1 | 80.00 | 85.00 | 4.00 | 4.00 | 4.00 | 3.25 | 3.00 |
| ○Loop 407 | exec | TwoBodyJastrowRef.h:379-380 | miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&) | Single | 0 | 0 | 0.84 | 1.00 | 1.00 | 1.00 | 1.00 | 1 | 100.00 | 100.00 | 2.00 | 2.00 | 2.00 | 2.00 | 2.00 |
| ○Loop 956 | exec | stl_algobase.h:924-924 | void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long) | Single | 0 | 0 | 0.84 | 1.00 | 1.00 | 1.00 | 1.00 | 1 | 100.00 | 100.00 | 5.00 | 5.00 | 5.00 | 5.00 | 5.00 |
| ○Loop 360 | exec | stl_algobase.h:924-924 | miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0 | 0 | 0.84 | 1.00 | 1.00 | 1.00 | 1.00 | 1 | 100.00 | 100.00 | 5.00 | 5.00 | 5.00 | 5.00 | 5.00 |
| ○Loop 951 | exec | stl_algobase.h:924-924 | void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long) | Single | 0 | 0 | 0.84 | 1.00 | 1.00 | 1.00 | 1.00 | 1 | 100.00 | 100.00 | 5.00 | 5.00 | 5.00 | 5.00 | 5.00 |
| ○Loop 1030 | exec | inner_product.hpp:210-211 | qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&) | Innermost | 0 | 0 | 0.84 | 1.00 | 1.00 | 3.50 | 1.17 | 1 | 25.00 | 31.25 | 1.17 | 1.17 | 1.17 | 0.33 | 1.00 |
| ○Loop 904 | exec | BsplineAllocator.hpp:179-180 | .omp_outlined..11 | Single | 0 | 0 | 0.84 | 1.00 | 1.00 | 1.00 | 2.00 | 1 | 100.00 | 100.00 | 2.00 | 2.00 | 2.00 | 2.00 | 1.00 |
