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 676 | libqmcwfs.so | MultiBsplineRef.hpp:68-71 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&) | Innermost | 21.63 | 20.91 | 24.22 | 1.00 | 1.95 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 293.08 | 12.00 | 12.00 | 6.17 | 6.00 | 12.00 |
○Loop 678 | libqmcwfs.so | MultiBsplineRef.hpp:239-242,MultiBsplineRef.hpp:249-262 | void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long) | Innermost | 22.74 | 17.79 | 20.6 | 1.00 | 1.31 | 5.26 | 1.25 | 1 | 27.66 | 17.55 | 496.06 | 11.83 | 11.83 | 9.00 | 2.25 | 9.50 |
○Loop 440 | libqmcparticle_omptarget.so | ParticleBConds3DSoa.h:280-298,SoaDistanceTableABOMPTarget.h:228-228 | qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&) | Innermost | 10.14 | 9.83 | 11.38 | 1.00 | 2.65 | 6.67 | 1.00 | 1 | 12.24 | 14.03 | 314.76 | 15.00 | 15.00 | 5.67 | 2.25 | 15.00 |
○Loop 184 | libqmcparticle_omptarget.so | VectorSoAContainer.h:244-244,VectorSoAContainer.h:263-263,TinyVector.h:182-182,SoaDistanceTableAAOMPTarget.h:440-442 | qmcplusplus::SoaDistanceTableAAOMPTarget::update(int) | Single | 4.5 | 4.18 | 4.84 | 1.58 | 1.00 | 8.00 | 6.33 | 1 | 27.27 | 15.91 | 0.00 | 6.33 | 4.00 | 6.33 | 0.79 | 1.00 |
○Loop 479 | libqmcparticle_omptarget.so | ParticleBConds3DSoa.h:237-255 | void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer > >(qmcplusplus::TinyVector const&, qmcplusplus::VectorSoAContainer > const&, double*, qmcplusplus::VectorSoAContainer >&, int, int, int) const [clone .constprop.0] | Single | 1.83 | 1.59 | 1.84 | 1.00 | 1.67 | 1.67 | 1.00 | 1 | 73.13 | 39.93 | 1295.08 | 15.00 | 15.00 | 9.00 | 9.00 | 15.00 |
○Loop 558 | libqmcwfs.so | BsplineFunctor.h:236-241 | miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&) | Innermost | 1.63 | 1.36 | 1.57 | 1.00 | 1.00 | 12.12 | 1.47 | 6561 | 0.00 | 10.00 | 0.38 | 12.50 | 12.50 | 12.50 | 1.03 | 8.50 |
○Loop 677 | libqmcwfs.so | MultiBsplineRef.hpp:276-286 | void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long) | Single | 1.28 | 0.95 | 1.11 | 1.00 | 1.04 | 8.00 | 1.04 | 1 | 0.00 | 12.50 | 141.03 | 9.33 | 9.33 | 9.00 | 1.17 | 9.00 |
○Loop 682 | libqmcwfs.so | einspline_spo_ref.hpp:223-227,TinyVector.h:145-145 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&) | Innermost | 0.9 | 0.74 | 0.86 | 1.00 | 1.00 | 6.40 | 8.00 | 1 | 11.11 | 13.89 | 0.00 | 8.00 | 8.00 | 8.00 | 1.25 | 1.00 |
○Loop 489 | libqmcwfs.so | TwoBodyJastrowRef.h:344-347 | miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int) | Innermost | 0.65 | 0.48 | 0.56 | 1.00 | 1.23 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 394.30 | 16.00 | 16.00 | 13.03 | 8.00 | 16.00 |
○Loop 548 | libqmcwfs.so | TwoBodyJastrow.h:155-156 | miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Innermost | 0.44 | 0.36 | 0.42 | 1.00 | 1.23 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 349.55 | 32.00 | 32.00 | 26.11 | 16.00 | 32.00 |
○Loop 727 | libqmcwfs.so | OperatorTags.h:63-63,OperatorTags.h:94-94 | miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.4 | 0.33 | 0.38 | 1.00 | 1.00 | 2.80 | 1.75 | 1 | 100.00 | 44.74 | 191.76 | 14.00 | 14.00 | 14.00 | 5.00 | 8.00 |
○Loop 731 | libqmcwfs.so | OperatorTags.h:63-63,OperatorTags.h:94-94 | miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int) | Single | 0.5 | 0.33 | 0.38 | 1.00 | 1.00 | 2.80 | 1.75 - 1.56 | 1 | 100.00 | 44.87 | 193.10 | 14.00 | 14.00 | 14.00 | 5.00 | 8.00 - 9.00 |
○Loop 41 | libqmcwfs.so | inner_product.hpp:82-83 | qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&) | Innermost | 0.39 | 0.3 | 0.35 | 1.00 | 1.23 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 280.76 | 32.00 | 32.00 | 26.11 | 16.00 | 32.00 |
○Loop 490 | libqmcwfs.so | stl_vector.h:1121-1121,TwoBodyJastrowRef.h:324-331 | miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int) | Single | 0.4 | 0.29 | 0.34 | 1.00 | 1.31 | 8.00 | 1.00 | 1 | 0.00 | 12.50 | 315.62 | 14.00 | 14.00 | 10.67 | 1.75 | 14.00 |
○Loop 551 | libqmcwfs.so | BsplineFunctor.h:291-298 | miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Innermost | 0.33 | 0.25 | 0.29 | 1.20 | 1.00 | 12.66 | 1.76 | 6561 | 0.00 | 9.38 | 0.19 | 15.00 | 12.50 | 15.00 | 1.18 | 8.50 |
○Loop 695 | libqmcwfs.so | inner_product.hpp:211-212 | qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&) | Innermost | 0.21 | 0.2 | 0.23 | 1.00 | 1.00 | 8.00 | 1.00 | 1 | 0.00 | 12.50 | 0.00 | 8.00 | 8.00 | 8.00 | 1.00 | 8.00 |
○Loop 485 | libqmcwfs.so | BsplineFunctor.h:291-298 | miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool) | Innermost | 0.25 | 0.17 | 0.19 | 1.19 | 1.00 | 12.63 | 1.75 | 6561 | 0.00 | 9.38 | 0.32 | 14.83 | 12.50 | 14.83 | 1.17 | 8.50 |
○Loop 728 | libqmcwfs.so | inner_product.hpp:82-83 | miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.22 | 0.17 | 0.19 | 1.00 | 1.23 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 123.93 | 32.00 | 32.00 | 26.11 | 16.00 | 32.00 |
○Loop 261 | libqmcparticle_omptarget.so | ParticleBConds3DSoa.h:237-255 | qmcplusplus::SoaDistanceTableAAOMPTarget::evaluate(qmcplusplus::ParticleSet&) | Innermost | 0.23 | 0.14 | 0.16 | 1.00 | 1.67 | 1.67 | 1.00 | 1 | 73.13 | 39.93 | 630.88 | 15.00 | 15.00 | 9.00 | 9.00 | 15.00 |
○Loop 658 | libqmcwfs.so | inner_product.hpp:155-155,OperatorTags.h:63-63,OperatorTags.h:94-94 | qmcplusplus::TinyVector qmcplusplus::simd::dot(double const*, qmcplusplus::TinyVector const*, int) | Single | 0.18 | 0.11 | 0.13 | 1.00 | 1.00 | 2.80 | 1.75 | 1 | 100.00 | 44.87 | 576.35 | 14.00 | 14.00 | 14.00 | 5.00 | 8.00 |
○Loop 559 | libqmcwfs.so | BsplineFunctor.h:249-260 | miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&) | Innermost | 0.13 | 0.08 | 0.09 | 1.00 | 1.32 | 2.06 | 1.39 | 1 | 100.00 | 48.80 | 782.92 | 36.17 | 36.17 | 27.42 | 17.58 | 26.00 |
○Loop 730 | libqmcwfs.so | inner_product.hpp:82-83 | miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.12 | 0.07 | 0.08 | 1.00 | 1.23 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 299.55 | 32.00 | 32.00 | 26.11 | 16.00 | 32.00 |
○Loop 462 | libqmcwfs.so | TwoBodyJastrowRef.h:381-382 | miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.11 | 0.07 | 0.08 | 1.00 | 1.23 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 177.33 | 32.00 | 32.00 | 26.11 | 16.00 | 32.00 |
○Loop 44 | exec | | main._omp_fn.1 | InBetween | 0.12 | 0.06 | 0.07 | 1.70 | 1.79 | 9.71 | 2.83 | 10 | 23.08 | 15.22 | 0.96 | 17.00 | 10.00 | 9.50 | 1.75 | 6.00 |
○Loop 734 | libqmcwfs.so | OperatorTags.h:63-63,OperatorTags.h:94-94 | miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&) | Innermost | 0.09 | 0.06 | 0.07 | 1.00 | 1.00 | 2.80 | 1.75 | 1 | 100.00 | 44.74 | 210.82 | 14.00 | 14.00 | 14.00 | 5.00 | 8.00 |
○Loop 549 | libqmcwfs.so | stl_numeric.h:140-141 | miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.11 | 0.06 | 0.07 | 1.00 | 1.47 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 350.47 | 24.00 | 24.00 | 16.36 | 12.00 | 24.00 |
○Loop 552 | libqmcwfs.so | BsplineFunctor.h:305-336 | miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Innermost | 0.12 | 0.06 | 0.07 | 1.00 | 1.39 | 3.39 | 1.09 | 1 | 52.38 | 26.79 | 634.31 | 12.50 | 12.50 | 9.00 | 3.69 | 11.50 |
○Loop 465 | libqmcwfs.so | BsplineFunctor.h:291-298 | miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.07 | 0.04 | 0.04 | 1.19 | 1.00 | 12.63 | 1.75 | 6561 | 0.00 | 9.38 | 0.45 | 14.83 | 12.50 | 14.83 | 1.17 | 8.50 |
○Loop 642 | libqmcwfs.so | BsplineFunctor.h:236-241 | miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&) | Innermost | 0.05 | 0.03 | 0.03 | 1.00 | 1.00 | 12.12 | 1.47 | 6561 | 0.00 | 10.00 | 0.95 | 12.50 | 12.50 | 12.50 | 1.03 | 8.50 |
○Loop 486 | libqmcwfs.so | BsplineFunctor.h:305-336 | miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool) | Innermost | 0.06 | 0.03 | 0.03 | 1.00 | 1.39 | 3.39 | 1.09 | 1 | 52.38 | 26.79 | 677.62 | 12.50 | 12.50 | 9.00 | 3.69 | 11.50 |
○Loop 557 | libqmcwfs.so | ParticleSet.h:313-313,ParticleSet.h:316-316,stl_vector.h:1143-1143,TwoBodyJastrowRef.h:127-129,TwoBodyJastrowRef.h:132-132,OhmmsVector.h:221-221,BsplineFunctor.h:232-232,BsplineFunctor.h:236-241,BsplineFunctor.h:244-252,BsplineFunctor.h:256-260 | miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&) | InBetween | 0.07 | 0.03 | 0.03 | 1.05 | 1.79 | 5.87 | 1.20 | 1000012 | 33.33 | 17.95 | 226.29 | 80.33 | 76.33 | 44.81 | 13.69 | 67.00 |
○Loop 599 | libqmcwfs.so | OneBodyJastrow.h:192-193 | miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Innermost | 0.06 | 0.02 | 0.03 | 1.00 | 1.23 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 503.57 | 32.00 | 32.00 | 26.11 | 16.00 | 32.00 |
○Loop 550 | libqmcwfs.so | stl_algobase.h:238-238,ParticleSet.h:313-313,stl_vector.h:1143-1143,TwoBodyJastrowRef.h:269-271,BsplineFunctor.h:276-276,BsplineFunctor.h:283-284,BsplineFunctor.h:291-298,BsplineFunctor.h:336-336 | miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Outermost | 0.05 | 0.02 | 0.02 | 1.07 | 1.07 | 6.44 | 2.23 | 1000012 | 13.00 | 14.13 | 16.90 | 29.00 | 27.00 | 27.00 | 4.50 | 13.00 |
○Loop 244 | libqmcwfs.so | stl_algobase.h:918-919 | qmcplusplus::Vector, std::allocator > >::resize(unsigned long, qmcplusplus::TinyVector) | Single | 0.04 | 0.02 | 0.02 | 2.00 | 1.00 | 5.33 | 8.00 | 1 | 50.00 | 18.75 | 0.00 | 8.00 | 4.00 | 8.00 | 1.50 | 1.00 |
○Loop 733 | libqmcwfs.so | inner_product.hpp:82-83 | miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&) | Innermost | 0.04 | 0.02 | 0.02 | 1.00 | 1.23 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 209.91 | 32.00 | 32.00 | 26.11 | 16.00 | 32.00 |
○Loop 673 | libqmcwfs.so | einspline_spo_ref.hpp:175-176,stl_algobase.h:930-931,MultiBsplineData.hpp:54-57,MultiBsplineEvalHelper.hpp:53-53,MultiBsplineEvalHelper.hpp:60-63,stl_vector.h:1256-1256,MultiBsplineRef.hpp:42-44,MultiBsplineRef.hpp:47-49,MultiBsplineRef.hpp:56-58,MultiBsplineRef.hpp:67-68 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&) | Outermost | 0.04 | 0.02 | 0.02 | 1.23 | 1.92 | 8.74 | 1.58 | 864 | 11.76 | 14.66 | 26.15 | 33.17 | 27.00 | 17.27 | 3.79 | 21.00 |
○Loop 460 | libqmcwfs.so | TwoBodyJastrowRef.h:397-398 | miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.05 | 0.02 | 0.02 | 1.00 | 1.02 | 2.00 | 2.08 | 1 | 100.00 | 50.00 | 624.34 | 8.33 | 8.33 | 8.17 | 4.17 | 4.00 |
○Loop 461 | libqmcwfs.so | TwoBodyJastrowRef.h:388-391 | miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.03 | 0.01 | 0.01 | 1.00 | 1.02 | 2.00 | 1.17 | 1 | 100.00 | 50.00 | 846.13 | 7.00 | 7.00 | 6.83 | 3.50 | 6.00 |
○Loop 612 | libqmcwfs.so | OneBodyJastrow.h:193-193 | miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&) | Innermost | 0.02 | 0.01 | 0.01 | 1.00 | 1.23 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 205.61 | 32.00 | 32.00 | 26.11 | 16.00 | 32.00 |
○Loop 75 | exec | | main._omp_fn.1 | Innermost | 0.04 | 0.01 | 0.01 | 7.11 | 1.00 | 14.37 | 10.67 | 2 | 30.95 | 14.96 | 4.35 | 10.67 | 1.50 | 10.67 | 0.74 | 1.00 |
○Loop 679 | libqmcwfs.so | MultiBsplineRef.hpp:227-229,MultiBsplineRef.hpp:234-239 | void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long) | InBetween | 0.04 | 0.01 | 0.01 | 1.61 | 2.11 | 8.00 | 1.61 | 1 | 0.00 | 12.50 | 408.26 | 4.83 | 3.00 | 2.29 | 0.60 | 3.00 |
○Loop 438 | libqmcparticle_omptarget.so | ParticleBConds3DSoa.h:284-286,ParticleBConds3DSoa.h:294-296,OMPTargetMath.hpp:38-38,SoaDistanceTableABOMPTarget.h:215-215,SoaDistanceTableABOMPTarget.h:218-218,SoaDistanceTableABOMPTarget.h:222-222,SoaDistanceTableABOMPTarget.h:228-228 | qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&) | InBetween | 0.03 | 0.01 | 0.01 | 1.13 | 1.00 | 8.42 | 5.00 | 2 | 7.53 | 12.03 | 481.31 | 5.00 | 4.42 | 5.00 | 0.59 | 1.00 |
○Loop 556 | libqmcwfs.so | optional:993-993,stl_vector.h:988-988,stl_vector.h:1124-1124,TwoBodyJastrowRef.h:107-108,TwoBodyJastrowRef.h:125-127,OhmmsVector.h:223-223,OhmmsVector.h:249-249,refwrap.h:347-347,BsplineFunctor.h:231-231,BsplineFunctor.h:257-257 | miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&) | Outermost | 0.03 | 0.01 | 0.01 | 2.64 | 2.09 | 13.16 | 4.83 | 1000012 | 9.09 | 12.86 | 29.70 | 9.67 | 3.67 | 4.63 | 0.73 | 2.00 |
○Loop 680 | libqmcwfs.so | MultiBsplineRef.hpp:226-226,MultiBsplineRef.hpp:234-236 | void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long) | Outermost | 0.04 | 0.01 | 0.01 | 2.63 | 1.00 | 12.14 | 7.00 | 1 | 0.00 | 11.72 | 105.25 | 3.50 | 1.33 | 3.50 | 0.29 | 0.50 |
○Loop 295 | libqmcparticle.so | stl_vector.h:988-988,unique_ptr.h:199-199,ParticleSet.cpp:242-243 | qmcplusplus::ParticleSet::update(bool) | Single | 0.03 | 0.01 | 0.01 | 1.00 | NA | NA | 2.00 | 1 | NA | NA | 0.00 | 2.00 | 2.00 | NA | NA | 1.00 |
○Loop 596 | libqmcwfs.so | OneBodyJastrowRef.h:214-218,OhmmsVector.h:223-223,shared_ptr_base.h:1666-1666 | miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*) | Single | 0.03 | 0.01 | 0.01 | 1.00 | 1.00 | 8.00 | 2.42 | 2 | 0.00 | 12.50 | 0.85 | 2.42 | 2.42 | 2.42 | 0.30 | 1.00 |
○Loop 600 | libqmcwfs.so | OneBodyJastrow.h:186-187 | miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.03 | 0.01 | 0.01 | 1.00 | 1.38 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 499.61 | 24.00 | 24.00 | 17.33 | 12.00 | 24.00 |
○Loop 484 | libqmcwfs.so | stl_algobase.h:238-238,ParticleSet.h:313-313,stl_vector.h:1143-1143,TwoBodyJastrowRef.h:269-271,OhmmsVector.h:221-221,BsplineFunctor.h:276-276,BsplineFunctor.h:283-284,BsplineFunctor.h:291-298,BsplineFunctor.h:336-336 | miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool) | Outermost | 0.04 | 0.01 | 0.01 | 1.06 | 1.06 | 6.37 | 2.21 | 1000012 | 11.93 | 13.47 | 18.20 | 28.67 | 27.00 | 27.00 | 4.50 | 13.00 |
○Loop 639 | libqmcwfs.so | OneBodyJastrowRef.h:134-135,OneBodyJastrowRef.h:140-141,OneBodyJastrowRef.h:151-151,OneBodyJastrowRef.h:154-155,stl_vector.h:988-988,stl_vector.h:1121-1121,stl_vector.h:1124-1124,OhmmsVector.h:229-229,OhmmsVector.h:249-249,BsplineFunctor.h:164-173,BsplineFunctor.h:179-182,BsplineFunctor.h:256-257 | miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&) | Outermost | 0.02 | 0.01 | 0.01 | 1.68 | 1.98 | 10.19 | 1.68 | 1000012 | 6.35 | 13.69 | 2.65 | 21.83 | 13.00 | 11.04 | 2.14 | 13.00 |
○Loop 674 | libqmcwfs.so | MultiBsplineRef.hpp:64-71 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&) | InBetween | 0.03 | 0.01 | 0.01 | 1.16 | 1.67 | 4.21 | 1.16 | 15 | 46.77 | 23.31 | 283.46 | 23.17 | 20.00 | 13.88 | 5.50 | 20.00 |
○Loop 211 | libqmcwfs.so | NewTimer.h:242-242,NewTimer.h:249-249,stl_vector.h:987-988,stl_vector.h:1124-1124,refwrap.h:347-347,WaveFunction.cpp:266-266,WaveFunction.cpp:269-269,WaveFunction.cpp:272-274 | qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&) | Outermost | 0.02 | 0 | 0.01 | 1.78 | 1.90 | 6.95 | 2.08 | 96 | 30.95 | 22.54 | NA | 31.17 | 17.50 | 16.41 | 4.49 | 15.00 |
○Loop 40 | libqmcwfs.so | inner_product.hpp:82-83,SPOSet.h:83-88,OhmmsVector.h:178-178,OhmmsVector.h:248-249 | qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&) | Outermost | 0.02 | 0 | 0.01 | 1.91 | 2.27 | 6.63 | 2.31 | 64 | 58.70 | 26.90 | NA | 18.50 | 9.67 | 8.14 | 2.79 | 8.00 |
○Loop 463 | libqmcwfs.so | TwoBodyJastrowRef.h:375-376 | miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.02 | 0 | 0.01 | 1.00 | 1.38 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | NA | 24.00 | 24.00 | 17.33 | 12.00 | 24.00 |
○Loop 681 | libqmcwfs.so | einspline_spo_ref.hpp:219-219,einspline_spo_ref.hpp:223-227,stl_algobase.h:238-238,VectorSoAContainer.h:231-231,VectorSoAContainer.h:271-271,stl_vector.h:1124-1124,TinyVector.h:145-145,OhmmsVector.h:223-223 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&) | Outermost | 0.02 | 0 | 0.01 | 2.07 | 1.00 | 10.46 | 4.83 | 8 | 13.51 | 13.68 | NA | 14.50 | 7.00 | 14.50 | 1.39 | 3.00 |
○Loop 43 | exec | | main._omp_fn.1 | InBetween | 0.03 | 0 | 0.01 | 1.00 | 1.00 | 12.14 | 3.83 | 10 | 0.00 | 11.72 | NA | 3.83 | 3.83 | 3.83 | 0.32 | 1.00 |
○Loop 675 | libqmcwfs.so | MultiBsplineRef.hpp:63-63,MultiBsplineRef.hpp:66-66 | 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 464 | libqmcwfs.so | stl_numeric.h:140-141 | miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.03 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 290 | libqmcparticle_omptarget.so | stl_algobase.h:398-398,stl_algobase.h:436-438,VectorSoAContainer.h:271-271,stl_vector.h:1124-1124,stl_algo.h:731-731,stl_algo.h:757-757,SoaDistanceTableABOMPTarget.h:375-376 | qmcplusplus::SoaDistanceTableABOMPTarget::update(int) | Single | 0.02 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 205 | libqmcwfs.so | NewTimer.h:242-242,NewTimer.h:249-249,stl_vector.h:988-988,refwrap.h:347-347,OperatorTags.h:94-94,WaveFunction.cpp:185-188 | qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int) | Single | 0.02 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 466 | libqmcwfs.so | BsplineFunctor.h:305-336 | 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 683 | libqmcwfs.so | einspline_spo_ref.hpp:206-207,VectorSoAContainer.h:265-265,stl_vector.h:1256-1256 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&) | Single | 0.02 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 641 | libqmcwfs.so | OneBodyJastrowRef.h:143-146,ParticleSet.h:313-313,ParticleSet.h:316-316,stl_vector.h:1143-1143,OhmmsVector.h:223-223,shared_ptr_base.h:1666-1666,BsplineFunctor.h:231-232,BsplineFunctor.h:236-241,BsplineFunctor.h:244-252,BsplineFunctor.h:256-260 | miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&) | InBetween | 0.02 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 206 | libqmcwfs.so | NewTimer.h:242-242,NewTimer.h:249-249,stl_vector.h:988-988,refwrap.h:347-347,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 330 | libqmcwfs.so | BsplineFunctor.h:291-298 | qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const | Single | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 672 | libqmcwfs.so | einspline_spo_ref.hpp:183-187,stl_algobase.h:238-238,stl_algobase.h:398-398,stl_algobase.h:436-437,stl_vector.h:1256-1256,stl_algo.h:731-731,stl_algo.h:757-757 | 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 598 | libqmcwfs.so | stl_numeric.h:140-141 | 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 487 | libqmcwfs.so | VectorSoAContainer.h:273-273,TwoBodyJastrowRef.h:320-320,TwoBodyJastrowRef.h:334-334,TwoBodyJastrowRef.h:341-349,TwoBodyJastrowRef.h:355-355 | 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 726 | libqmcwfs.so | inner_product.hpp:82-83,inner_product.hpp:149-149,inner_product.hpp:155-156,OhmmsMatrix.h:217-217,TinyVector.h:62-62,OhmmsVector.h:248-248,OperatorTags.h:63-63,OperatorTags.h:94-94,DiracDeterminantRef.cpp:173-173,DiracDeterminantRef.cpp:178-178,TinyVectorOps.h:129-131 | 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 297 | libqmcparticle.so | stl_vector.h:988-988,unique_ptr.h:199-199,ParticleSet.cpp:343-344 | 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 456 | libqmcwfs.so | stl_algobase.h:931-931,stl_iterator.h:1111-1111,VectorSoAContainer.h:244-244,VectorSoAContainer.h:273-273,TinyVector.h:62-62,TwoBodyJastrowRef.h:268-269,TwoBodyJastrowRef.h:364-364,TwoBodyJastrowRef.h:367-369,TwoBodyJastrowRef.h:375-377,TwoBodyJastrowRef.h:386-393,TwoBodyJastrowRef.h:397-398,OhmmsVector.h:223-223,OhmmsVector.h:249-249,stl_numeric.h:140-141 | 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 597 | libqmcwfs.so | OneBodyJastrow.h:188-188,OneBodyJastrow.h:191-194,VectorSoAContainer.h:273-273 | miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Outermost | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 260 | libqmcparticle_omptarget.so | ParticleBConds3DSoa.h:222-224,ParticleBConds3DSoa.h:234-234,ParticleBConds3DSoa.h:237-243,ParticleBConds3DSoa.h:246-248,ParticleBConds3DSoa.h:251-255,VectorSoAContainer.h:271-273,stl_vector.h:1124-1124,OhmmsVector.h:223-223,OhmmsVector.h:248-248,unique_ptr.h:199-199,SoaDistanceTableAAOMPTarget.h:184-187 | qmcplusplus::SoaDistanceTableAAOMPTarget::evaluate(qmcplusplus::ParticleSet&) | Outermost | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 48 | libqmcwfs.so | BsplineAllocator.hpp:179-180 | qmcplusplus::BsplineAllocator >::setCoefficientsForOrbitals(int, int, Array&, multi_UBspline_3d_d*) [clone ._omp_fn.0] [clone .lto_priv.0] | Innermost | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 39 | libqmcutil.so | NewTimer.h:119-119,stl_tree.h:790-790,stl_tree.h:1951-1953 | qmcplusplus::TimerType::stop() | Single | 0.06 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 208 | libqmcwfs.so | NewTimer.h:242-242,NewTimer.h:249-249,stl_vector.h:988-988,refwrap.h:347-347,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 547 | libqmcwfs.so | VectorSoAContainer.h:273-273,TwoBodyJastrow.h:150-150,TwoBodyJastrow.h:153-157 | miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Outermost | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 331 | libqmcwfs.so | stl_vector.h:1140-1140,BsplineFunctor.h:305-336 | qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const | Single | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 609 | libqmcwfs.so | stl_numeric.h:141-141 | miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&) | Innermost | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 84 | exec | | main._omp_fn.1 | InBetween | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 345 | libqmcparticle.so | OhmmsVector.h:178-178,OperatorTags.h:43-43,VirtualParticleSet.cpp:120-120 | qmcplusplus::VirtualParticleSet::makeMoves(qmcplusplus::ParticleSet const&, int, std::vector, std::allocator > > const&, bool, int) | Single | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 459 | libqmcwfs.so | TwoBodyJastrowRef.h:361-361,TwoBodyJastrowRef.h:388-388,TwoBodyJastrowRef.h:393-393,TwoBodyJastrowRef.h:397-398 | 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 454 | libqmcwfs.so | stl_algobase.h:238-238,ParticleSet.h:313-313,stl_vector.h:1143-1143,TwoBodyJastrowRef.h:269-271,BsplineFunctor.h:276-276,BsplineFunctor.h:283-284,BsplineFunctor.h:291-298,BsplineFunctor.h:327-327,BsplineFunctor.h:336-336 | 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 613 | libqmcwfs.so | OneBodyJastrow.h:187-187 | miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&) | Innermost | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 298 | libqmcparticle.so | stl_vector.h:988-988,unique_ptr.h:199-199,ParticleSet.cpp:389-390 | qmcplusplus::ParticleSet::acceptMove(int) | Single | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 43 | libqmcwfs.so | OhmmsMatrix.h:217-217,SPOSet.h:106-111,new_allocator.h:168-168,OhmmsVector.h:56-56,OhmmsVector.h:144-144,OhmmsVector.h:210-210 | qmcplusplus::SPOSet::evaluate_notranspose(qmcplusplus::ParticleSet const&, int, int, qmcplusplus::Matrix >&, qmcplusplus::Matrix, std::allocator > >&, qmcplusplus::Matrix >&) | Single | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 439 | libqmcparticle_omptarget.so | SoaDistanceTableABOMPTarget.h:214-214,SoaDistanceTableABOMPTarget.h:222-225 | qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&) | Outermost | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 207 | libqmcparticle.so | PosTransformer.h:43-45 | qmcplusplus::RealSpacePositions::setAllParticlePos(qmcplusplus::ParticleAttrib, std::allocator > > const&) | Single | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 45 | exec | | main._omp_fn.1 | Innermost | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 185 | libqmcparticle_omptarget.so | stl_algobase.h:437-437,VectorSoAContainer.h:271-271,stl_vector.h:1124-1124,SoaDistanceTableAAOMPTarget.h:437-437 | qmcplusplus::SoaDistanceTableAAOMPTarget::update(int) | Single | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 94 | exec | | main._omp_fn.1 | Single | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 692 | libqmcwfs.so | DiracMatrix.h:112-113 | qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&) | Single | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 611 | libqmcwfs.so | OneBodyJastrow.h:184-187,OneBodyJastrow.h:191-192,stl_algobase.h:931-931,stl_algobase.h:1123-1123,stl_algobase.h:1128-1128,OneBodyJastrowRef.h:109-109,OneBodyJastrowRef.h:112-113,OneBodyJastrowRef.h:122-122,OneBodyJastrowRef.h:207-207,OneBodyJastrowRef.h:214-214,OneBodyJastrowRef.h:231-231,OneBodyJastrowRef.h:234-237,stl_iterator.h:1111-1111,stl_iterator.h:1148-1148,VectorSoAContainer.h:273-273,stl_vector.h:1124-1124,stl_vector.h:1143-1143,stl_vector.h:1256-1256,OhmmsVector.h:223-223,OhmmsVector.h:229-229,OhmmsVector.h:249-249,stl_numeric.h:140-141,BsplineFunctor.h:188-191 | miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&) | Outermost | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 619 | libqmcwfs.so | OneBodyJastrowRef.h:169-169,OperatorTags.h:94-94 | miniqmcreference::OneBodyJastrowRef >::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 85 | exec | | main._omp_fn.1 | Innermost | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 455 | libqmcwfs.so | TwoBodyJastrowRef.h:377-377,TwoBodyJastrowRef.h:380-383 | 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 92 | exec | | main._omp_fn.1 | Innermost | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 38 | libqmcutil.so | NewTimer.h:119-119,stl_tree.h:790-790,stl_tree.h:1951-1953 | qmcplusplus::TimerType::stop() | Single | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 732 | libqmcwfs.so | inner_product.hpp:82-83,inner_product.hpp:155-156,OhmmsMatrix.h:217-217,TinyVector.h:62-62,OhmmsVector.h:248-248,OperatorTags.h:63-63,OperatorTags.h:94-94,DiracDeterminantRef.cpp:247-247,DiracDeterminantRef.cpp:252-252,TinyVectorOps.h:129-131 | 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 610 | libqmcwfs.so | OneBodyJastrow.h:188-188,OneBodyJastrow.h:191-194,VectorSoAContainer.h:273-273 | miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&) | InBetween | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 442 | libqmcwfs.so | TwoBodyJastrowRef.h:423-423,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 208 | libqmcparticle.so | PosTransformer.h:43-45 | qmcplusplus::RealSpacePositionsOMPTarget::setAllParticlePos(qmcplusplus::ParticleAttrib, std::allocator > > const&) | Single | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 449 | libqmcwfs.so | TwoBodyJastrowRef.h:423-423,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 684 | libqmcwfs.so | OhmmsMatrix.h:236-236,OhmmsVector.h:223-223,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 129 | libqmcparticle_omptarget.so | OhmmsVector.h:210-210,Mallocator.hpp:78-78,stl_construct.h:151-151,stl_construct.h:162-162 | qmcplusplus::DistanceTableAA::~DistanceTableAA() | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 91 | exec | | main._omp_fn.1 | InBetween | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 615 | libqmcwfs.so | OneBodyJastrowRef.h:214-218,OhmmsVector.h:223-223,shared_ptr_base.h:1666-1666 | miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&) | Innermost | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 443 | libqmcwfs.so | TwoBodyJastrowRef.h:423-423,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 208 | libqmcparticle_omptarget.so | VectorSoAContainer.h:150-150,Mallocator.hpp:78-78,stl_construct.h:162-162 | qmcplusplus::DistanceTableAB::~DistanceTableAB() | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 617 | libqmcwfs.so | stl_numeric.h:140-141 | miniqmcreference::OneBodyJastrowRef >::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 47 | libqmcwfs.so | stl_vector.h:1124-1124,OhmmsArray.h:156-156,BsplineAllocator.hpp:171-171,BsplineAllocator.hpp:174-174,BsplineAllocator.hpp:179-180 | qmcplusplus::BsplineAllocator >::setCoefficientsForOrbitals(int, int, Array&, multi_UBspline_3d_d*) [clone ._omp_fn.0] [clone .lto_priv.0] | Outermost | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 89 | exec | | main._omp_fn.1 | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 87 | exec | | main._omp_fn.1 | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 399 | libqmcparticle.so | ostream:667-667,CrystalLattice.h:147-147,ParticleSet.h:127-127,char_traits.h:409-409,OhmmsVector.h:223-223,TinyVectorTensorOps.h:150-152,OperatorTags.h:43-43,OperatorTags.h:63-63,ParticleIOUtility.h:71-90 | qmcplusplus::tile_cell(std::unique_ptr >&, qmcplusplus::Tensor const&, bool) [clone .constprop.0] | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 35 | libqmcutil.so | TimerManager.cpp:36-36,stl_tree.h:782-782,stl_tree.h:790-790,stl_tree.h:1951-1953,basic_string.h:3831-3831 | qmcplusplus::TimerManager >::initializeTimer(qmcplusplus::TimerType&) | Single | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 442 | libqmcparticle_omptarget.so | SoaDistanceTableABOMPTarget.h:194-196 | qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&) | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 605 | libqmcwfs.so | stl_numeric.h:141-141 | miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&) | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 210 | libqmcwfs.so | TinyVector.h:164-164,OhmmsVector.h:379-379 | qmcplusplus::WaveFunction::evaluateGL(qmcplusplus::ParticleSet&) | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 305 | libqmcparticle.so | FastParticleOperators.h:72-73 | qmcplusplus::ParticleSet::convert2Cart(qmcplusplus::ParticleAttrib, std::allocator > >&) | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 302 | libqmcparticle.so | stl_vector.h:988-988,unique_ptr.h:199-199,ParticleSet.cpp:513-514 | qmcplusplus::ParticleSet::donePbyP(bool) | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 207 | libqmcparticle_omptarget.so | OhmmsVector.h:210-210,Mallocator.hpp:78-78,stl_construct.h:151-151,stl_construct.h:162-162 | qmcplusplus::DistanceTableAB::~DistanceTableAB() | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 448 | libqmcwfs.so | TwoBodyJastrowRef.h:423-425 | 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 742 | libqmcwfs.so | random.tcc:458-466,random.tcc:3362-3365 | miniqmcreference::einspline_spo_ref::set(int, int, int, int, int, bool) [clone .constprop.0] | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 444 | libqmcwfs.so | TwoBodyJastrowRef.h:423-427 | 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 607 | libqmcwfs.so | OperatorTags.h:94-94 | miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&) | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 618 | libqmcwfs.so | 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 606 | libqmcwfs.so | OneBodyJastrowRef.h:172-172 | miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&) | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 691 | libqmcwfs.so | std_abs.h:72-72,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 |