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 820 | exec | MultiBsplineRef.hpp:68-71 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&) | Innermost | 21.38 | 23 | 23.17 | 1.00 | 1.95 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 266.42 | 12.00 | 12.00 | 6.17 | 6.00 | 12.00 |
○Loop 886 | exec | MultiBsplineRef.hpp:242-262 | void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long) | Innermost | 34.24 | 21.34 | 21.5 | 1.00 | 2.50 | 8.00 | 1.00 | 1 | 0.00 | 12.50 | 240.34 | 12.50 | 12.50 | 5.00 | 1.56 | 12.50 |
○Loop 2733 | exec | ParticleBConds3DSoa.h:280-298,SoaDistanceTableABOMPTarget.h:228-228 | qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&) | Innermost | 10.16 | 10.62 | 10.7 | 1.00 | 3.33 | 6.67 | 1.00 | 1 | 12.24 | 14.03 | 232.83 | 15.00 | 15.00 | 4.50 | 2.25 | 15.00 |
○Loop 2289 | exec | VectorSoAContainer.h:244-244,VectorSoAContainer.h:263-263,TinyVector.h:182-182,SoaDistanceTableAAOMPTarget.h:440-442 | qmcplusplus::SoaDistanceTableAAOMPTarget::update(int) | Single | 4.5 | 4.78 | 4.81 | 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 342 | exec | BsplineFunctor.h:236-241 | miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&) | Innermost | 1.58 | 1.55 | 1.56 | 1.00 | 1.00 | 12.12 | 1.47 | 6561 | 0.00 | 10.00 | 0.30 | 12.50 | 12.50 | 12.50 | 1.03 | 8.50 |
○Loop 885 | exec | MultiBsplineRef.hpp:276-286 | void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long) | Single | 2.01 | 1.14 | 1.15 | 1.00 | 1.04 | 8.00 | 1.04 | 1 | 0.00 | 12.50 | 33.54 | 9.33 | 9.33 | 9.00 | 1.17 | 9.00 |
○Loop 890 | exec | 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 | 0.96 | 0.91 | 0.91 | 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 2408 | exec | ParticleBConds3DSoa.h:237-255 | qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool) | Single | 0.88 | 0.77 | 0.77 | 1.00 | 1.67 | 1.67 | 1.00 | 1 | 100.00 | 50.00 | 1234.80 | 15.00 | 15.00 | 9.00 | 9.00 | 15.00 |
○Loop 2407 | exec | ParticleBConds3DSoa.h:237-255 | qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool) | Single | 0.84 | 0.75 | 0.75 | 1.00 | 1.67 | 1.67 | 1.00 | 1 | 100.00 | 50.00 | 1266.29 | 15.00 | 15.00 | 9.00 | 9.00 | 15.00 |
○Loop 570 | exec | TwoBodyJastrowRef.h:342-347 | miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int) | Innermost | 0.62 | 0.56 | 0.56 | 1.00 | 1.23 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 337.69 | 16.00 | 16.00 | 13.03 | 8.00 | 16.00 |
○Loop 565 | exec | BsplineFunctor.h:291-298 | miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool) | Innermost | 0.6 | 0.52 | 0.53 | 1.19 | 1.00 | 12.63 | 1.75 | 6561 | 0.00 | 9.38 | 0.07 | 14.83 | 12.50 | 14.83 | 1.17 | 8.50 |
○Loop 573 | exec | TwoBodyJastrowRef.h:155-156 | miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Innermost | 0.44 | 0.37 | 0.37 | 1.00 | 1.38 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 342.20 | 24.00 | 24.00 | 17.33 | 12.00 | 24.00 |
○Loop 571 | exec | stl_vector.h:1121-1121,TwoBodyJastrowRef.h:324-331 | miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int) | Single | 0.38 | 0.35 | 0.35 | 1.00 | 1.31 | 8.00 | 1.00 | 1 | 0.00 | 12.50 | 90.59 | 14.00 | 14.00 | 10.67 | 1.75 | 14.00 |
○Loop 981 | exec | OperatorTags.h:63-63,OperatorTags.h:94-94,inner_product.hpp:155-155 | miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.38 | 0.32 | 0.32 | 1.00 | 1.00 | 2.00 | 1.50 - 1.41 | 1 | 100.00 | 50.00 | 197.36 | 24.00 | 24.00 | 24.00 | 12.00 | 16.00 - 17.00 |
○Loop 977 | exec | OperatorTags.h:63-63,OperatorTags.h:94-94,inner_product.hpp:155-155 | miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int) | Single | 0.39 | 0.31 | 0.32 | 1.00 | 1.00 | 2.00 | 1.50 - 1.41 | 1 | 100.00 | 50.00 | 204.81 | 24.00 | 24.00 | 24.00 | 12.00 | 16.00 - 17.00 |
○Loop 976 | exec | inner_product.hpp:82-83 | miniqmcreference::DiracDeterminantRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&) | Innermost | 0.33 | 0.24 | 0.25 | 1.00 | 1.38 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 347.87 | 24.00 | 24.00 | 17.33 | 12.00 | 24.00 |
○Loop 996 | exec | inner_product.hpp:211-212 | miniqmcreference::DiracDeterminantRef >::invertPsiM(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&) | Innermost | 0.22 | 0.23 | 0.24 | 1.00 | 1.00 | 6.51 | 1.00 | 1 | 33.33 | 16.67 | 0.00 | 8.00 | 8.00 | 8.00 | 1.23 | 8.00 |
○Loop 982 | exec | inner_product.hpp:82-83 | miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool) | Innermost | 0.22 | 0.18 | 0.18 | 1.00 | 1.38 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 117.49 | 24.00 | 24.00 | 17.33 | 12.00 | 24.00 |
○Loop 971 | exec | OperatorTags.h:63-63,OperatorTags.h:94-94,inner_product.hpp:155-155 | miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.16 | 0.12 | 0.12 | 1.00 | 1.00 | 2.00 | 1.50 | 1 | 100.00 | 50.00 | 529.62 | 24.00 | 24.00 | 24.00 | 12.00 | 16.00 |
○Loop 2359 | exec | ParticleBConds3DSoa.h:237-255 | qmcplusplus::SoaDistanceTableAAOMPTarget::evaluate(qmcplusplus::ParticleSet&) | Innermost | 0.16 | 0.1 | 0.11 | 1.00 | 1.67 | 1.67 | 1.00 | 1 | 100.00 | 50.00 | 588.36 | 15.00 | 15.00 | 9.00 | 9.00 | 15.00 |
○Loop 343 | exec | BsplineFunctor.h:246-260 | miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&) | Innermost | 0.13 | 0.1 | 0.1 | 1.09 | 1.43 | 2.15 | 1.29 | 1 | 100.00 | 48.46 | 577.70 | 33.50 | 30.67 | 23.42 | 15.58 | 26.00 |
○Loop 2539 | exec | ParticleBConds3DSoa.h:237-255 | qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool) | Single | 0.11 | 0.08 | 0.08 | 1.00 | 1.67 | 1.67 | 1.00 | 1 | 100.00 | 50.00 | 984.35 | 15.00 | 15.00 | 9.00 | 9.00 | 15.00 |
○Loop 567 | exec | stl_vector.h:1140-1140,BsplineFunctor.h:305-336 | miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool) | Innermost | 0.12 | 0.08 | 0.08 | 1.12 | 1.59 | 2.20 | 1.35 | 1 | 99.43 | 48.78 | 643.57 | 67.50 | 60.50 | 42.50 | 30.75 | 50.00 |
○Loop 2540 | exec | ParticleBConds3DSoa.h:237-255 | qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool) | Single | 0.16 | 0.08 | 0.08 | 1.00 | 1.67 | 1.67 | 1.00 | 1 | 100.00 | 50.00 | 977.78 | 15.00 | 15.00 | 9.00 | 9.00 | 15.00 |
○Loop 574 | exec | stl_numeric.h:140-141 | miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.12 | 0.08 | 0.08 | 1.00 | 1.47 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 264.10 | 24.00 | 24.00 | 16.36 | 12.00 | 24.00 |
○Loop 972 | exec | inner_product.hpp:82-83 | miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.11 | 0.07 | 0.07 | 1.00 | 1.38 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 295.41 | 24.00 | 24.00 | 17.33 | 12.00 | 24.00 |
○Loop 587 | exec | TwoBodyJastrowRef.h:381-382 | miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&) | Innermost | 0.11 | 0.07 | 0.07 | 1.00 | 1.38 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 178.57 | 24.00 | 24.00 | 17.33 | 12.00 | 24.00 |
○Loop 76 | exec | VectorSoAContainer.h:231-231,ParticleSet.h:277-277,OperatorTags.h:43-43,OperatorTags.h:63-63,stl_vector.h:988-988,stl_vector.h:1121-1121,unique_ptr.h:199-199,OhmmsVector.h:229-229,TinyVector.h:145-145,NonLocalPP.hpp:126-126,NonLocalPP.hpp:129-135 | main._omp_fn.1 | InBetween | 0.11 | 0.07 | 0.07 | 1.78 | 1.85 | 9.84 | 2.97 | 10 | 22.50 | 15.16 | 0.71 | 17.83 | 10.00 | 9.63 | 1.81 | 6.00 |
○Loop 1000 | exec | OperatorTags.h:63-63,OperatorTags.h:94-94,inner_product.hpp:155-155 | miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&) | Innermost | 0.07 | 0.06 | 0.06 | 1.00 | 1.00 | 2.00 | 1.50 | 1 | 100.00 | 50.00 | 212.31 | 24.00 | 24.00 | 24.00 | 12.00 | 16.00 |
○Loop 564 | exec | stl_algobase.h:238-238,ParticleSet.h:313-313,stl_vector.h:1143-1143,BsplineFunctor.h:276-276,BsplineFunctor.h:283-284,BsplineFunctor.h:291-298,BsplineFunctor.h:305-311,BsplineFunctor.h:315-318,BsplineFunctor.h:321-336,TwoBodyJastrowRef.h:269-271 | miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool) | Outermost | 0.09 | 0.05 | 0.06 | 1.21 | 1.53 | 6.14 | 2.11 | 1000012 | 45.00 | 19.60 | 107.93 | 106.50 | 87.83 | 69.81 | 17.35 | 50.50 |
○Loop 590 | exec | BsplineFunctor.h:291-298 | miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&) | Innermost | 0.06 | 0.04 | 0.04 | 1.19 | 1.00 | 12.63 | 1.75 | 6561 | 0.00 | 9.38 | 0.26 | 14.83 | 12.50 | 14.83 | 1.17 | 8.50 |
○Loop 261 | exec | BsplineFunctor.h:236-241 | miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&) | Innermost | 0.06 | 0.04 | 0.04 | 1.00 | 1.00 | 12.12 | 1.47 | 6561 | 0.00 | 10.00 | 0.54 | 12.50 | 12.50 | 12.50 | 1.03 | 8.50 |
○Loop 341 | exec | ParticleSet.h:313-313,ParticleSet.h:316-316,stl_vector.h:1140-1140,stl_vector.h:1143-1143,BsplineFunctor.h:232-232,BsplineFunctor.h:236-241,BsplineFunctor.h:244-252,BsplineFunctor.h:256-260,OhmmsVector.h:221-221,TwoBodyJastrowRef.h:127-129,TwoBodyJastrowRef.h:132-132 | miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&) | InBetween | 0.06 | 0.03 | 0.03 | 1.07 | 2.05 | 6.18 | 1.18 | 1000012 | 27.88 | 16.13 | 246.37 | 79.17 | 74.33 | 38.66 | 12.81 | 67.00 |
○Loop 1010 | exec | stl_algobase.h:918-919 | miniqmcreference::DiracDeterminantRef >::resize(int, int) | Innermost | 0.04 | 0.02 | 0.03 | 1.00 | 1.00 | 2.00 | 12.00 | 1 | 100.00 | 50.00 | 0.00 | 12.00 | 12.00 | 12.00 | 6.00 | 1.00 |
○Loop 585 | exec | TwoBodyJastrowRef.h:397-398 | miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&) | Innermost | 0.04 | 0.02 | 0.02 | 1.00 | 1.02 | 2.00 | 2.08 | 1 | 100.00 | 50.00 | 627.34 | 8.33 | 8.33 | 8.17 | 4.17 | 4.00 |
○Loop 694 | exec | OneBodyJastrowRef.h:192-193 | miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Innermost | 0.04 | 0.02 | 0.02 | 1.00 | 1.38 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 502.97 | 24.00 | 24.00 | 17.33 | 12.00 | 24.00 |
○Loop 817 | exec | stl_algobase.h:930-931,einspline_spo_ref.hpp:175-176,stl_vector.h:1256-1256,MultiBsplineRef.hpp:42-44,MultiBsplineRef.hpp:47-49,MultiBsplineRef.hpp:56-58,MultiBsplineRef.hpp:67-68,MultiBsplineData.hpp:54-57,MultiBsplineEvalHelper.hpp:53-53,MultiBsplineEvalHelper.hpp:60-63 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&) | Outermost | 0.05 | 0.02 | 0.02 | 1.25 | 1.93 | 8.79 | 1.58 | 864 | 10.79 | 14.52 | 27.20 | 33.17 | 26.50 | 17.20 | 3.77 | 21.00 |
○Loop 999 | exec | 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 | 1.38 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 204.21 | 24.00 | 24.00 | 17.33 | 12.00 | 24.00 |
○Loop 887 | exec | MultiBsplineRef.hpp:227-229,MultiBsplineRef.hpp:234-239,MultiBsplineRef.hpp:242-242 | void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long) | InBetween | 0.04 | 0.02 | 0.02 | 1.22 | 2.16 | 8.00 | 1.22 | 1 | 0.00 | 12.50 | 77.45 | 3.67 | 3.00 | 1.70 | 0.46 | 3.00 |
○Loop 586 | exec | TwoBodyJastrowRef.h:388-391 | miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&) | Innermost | 0.04 | 0.02 | 0.02 | 1.00 | 1.02 | 2.00 | 1.17 | 1 | 100.00 | 50.00 | 417.19 | 7.00 | 7.00 | 6.83 | 3.50 | 6.00 |
○Loop 706 | exec | OneBodyJastrowRef.h:192-193 | miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&) | Innermost | 0.02 | 0.01 | 0.01 | 1.00 | 1.38 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 198.01 | 24.00 | 24.00 | 17.33 | 12.00 | 24.00 |
○Loop 107 | exec | stl_vector.h:1124-1124,TinyVector.h:62-62,refwrap.h:347-347,miniqmc.cpp:429-458 | main._omp_fn.1 | Innermost | 0.03 | 0.01 | 0.01 | 7.11 | 1.00 | 14.37 | 10.67 | 2 | 30.95 | 14.96 | 3.60 | 10.67 | 1.50 | 10.67 | 0.74 | 1.00 |
○Loop 340 | exec | optional:993-993,stl_vector.h:988-988,stl_vector.h:1124-1124,BsplineFunctor.h:231-231,BsplineFunctor.h:256-258,OhmmsVector.h:223-223,OhmmsVector.h:249-249,refwrap.h:347-347,TwoBodyJastrowRef.h:107-108,TwoBodyJastrowRef.h:125-127 | miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&) | Outermost | 0.03 | 0.01 | 0.01 | 2.67 | 1.90 | 10.19 | 5.33 | 1000012 | 12.50 | 14.39 | 32.30 | 10.67 | 4.00 | 5.63 | 1.05 | 2.00 |
○Loop 889 | exec | stl_algobase.h:238-238,VectorSoAContainer.h:231-231,VectorSoAContainer.h:271-271,einspline_spo_ref.hpp:219-219,einspline_spo_ref.hpp:223-227,stl_vector.h:1124-1124,OhmmsVector.h:223-223,TinyVector.h:145-145 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&) | Outermost | 0.04 | 0.01 | 0.01 | 2.28 | 1.00 | 11.10 | 4.33 | 8 | 8.33 | 12.85 | 0.00 | 15.17 | 6.67 | 15.17 | 1.37 | 3.50 |
○Loop 975 | exec | SPOSet.h:83-86,OhmmsVector.h:178-178,OhmmsVector.h:248-249,inner_product.hpp:82-83 | miniqmcreference::DiracDeterminantRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&) | Outermost | 0.02 | 0.01 | 0.01 | 1.83 | 2.26 | 4.95 | 2.05 | 64 | 62.26 | 29.25 | 67.20 | 19.50 | 10.67 | 8.65 | 3.94 | 9.50 |
○Loop 695 | exec | OneBodyJastrowRef.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 | 506.42 | 24.00 | 24.00 | 17.33 | 12.00 | 24.00 |
○Loop 1235 | exec | 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 818 | exec | MultiBsplineRef.hpp:64-71 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&) | InBetween | 0.03 | 0.01 | 0.01 | 1.10 | 1.84 | 4.04 | 1.10 | 15 | 45.00 | 23.26 | 320.21 | 23.00 | 21.00 | 12.50 | 5.69 | 21.00 |
○Loop 2731 | exec | ParticleBConds3DSoa.h:284-286,ParticleBConds3DSoa.h:294-296,SoaDistanceTableABOMPTarget.h:215-215,SoaDistanceTableABOMPTarget.h:218-218,SoaDistanceTableABOMPTarget.h:222-222,SoaDistanceTableABOMPTarget.h:228-228,OMPTargetMath.hpp:38-38 | qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&) | InBetween | 0.03 | 0.01 | 0.01 | 1.12 | 1.00 | 8.95 | 4.83 | 2 | 0.00 | 11.21 | 401.61 | 4.83 | 4.33 | 4.83 | 0.54 | 1.00 |
○Loop 589 | exec | stl_numeric.h:140-141 | miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&) | Innermost | 0.03 | 0.01 | 0.01 | 1.00 | 1.47 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 218.46 | 24.00 | 24.00 | 16.36 | 12.00 | 24.00 |
○Loop 258 | exec | stl_vector.h:988-988,stl_vector.h:1121-1121,stl_vector.h:1124-1124,BsplineFunctor.h:164-173,BsplineFunctor.h:179-182,BsplineFunctor.h:256-258,OneBodyJastrowRef.h:134-135,OneBodyJastrowRef.h:140-141,OneBodyJastrowRef.h:151-151,OneBodyJastrowRef.h:154-155,OhmmsVector.h:229-229,OhmmsVector.h:249-249 | miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&) | Outermost | 0.02 | 0.01 | 0.01 | 1.73 | 2.09 | 10.31 | 1.73 | 1000012 | 6.25 | 13.57 | 2.15 | 22.50 | 13.00 | 10.75 | 2.18 | 13.00 |
○Loop 217 | exec | OneBodyJastrowRef.h:214-216 | miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*) [clone .isra.0] | Innermost | 0.02 | 0.01 | 0.01 | 1.00 | 1.00 | 8.00 | 1.00 | 1 | 0.00 | 12.50 | 0.20 | 1.00 | 1.00 | 1.00 | 0.13 | 1.00 |
○Loop 588 | exec | TwoBodyJastrowRef.h:375-376 | miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&) | Innermost | 0.03 | 0.01 | 0.01 | 1.00 | 1.38 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 618.47 | 24.00 | 24.00 | 17.33 | 12.00 | 24.00 |
○Loop 693 | exec | stl_numeric.h:140-141 | miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&) | Single | 0.02 | 0.01 | 0.01 | 1.00 | 1.47 | 2.00 | 1.00 | 1 | 100.00 | 50.00 | 181.81 | 24.00 | 24.00 | 16.36 | 12.00 | 24.00 |
○Loop 175 | exec | 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,NewTimer.h:242-242,NewTimer.h:249-249 | qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&) | Outermost | 0.02 | 0.01 | 0.01 | 1.78 | 1.90 | 6.95 | 2.08 | 96 | 30.59 | 22.43 | 1.10 | 31.17 | 17.50 | 16.41 | 4.49 | 15.00 |
○Loop 566 | exec | BsplineFunctor.h:305-336 | miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool) | Innermost | 0.02 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 75 | exec | ParticleSet.h:277-277,stl_vector.h:1140-1140,stl_vector.h:1143-1143,NonLocalPP.hpp:122-122,NonLocalPP.hpp:126-126 | main._omp_fn.1 | InBetween | 0.03 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 216 | exec | OneBodyJastrowRef.h:214-214,OneBodyJastrowRef.h:218-218,OhmmsVector.h:223-223,shared_ptr_base.h:1666-1666 | miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*) [clone .isra.0] | Outermost | 0.03 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 260 | exec | ParticleSet.h:313-313,ParticleSet.h:316-316,stl_vector.h:1140-1140,stl_vector.h:1143-1143,BsplineFunctor.h:231-232,BsplineFunctor.h:236-241,BsplineFunctor.h:244-252,BsplineFunctor.h:256-260,OneBodyJastrowRef.h:143-146,OhmmsVector.h:223-223,shared_ptr_base.h:1666-1666 | 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 592 | exec | stl_vector.h:1140-1140,BsplineFunctor.h:305-336 | miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&) | Innermost | 0.02 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 2453 | exec | stl_algobase.h:930-931 | 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 816 | exec | stl_algobase.h:238-238,stl_algobase.h:398-398,stl_algobase.h:436-437,einspline_spo_ref.hpp:183-187,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 | 0.02 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 2533 | exec | 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 169 | exec | OperatorTags.h:94-94,stl_vector.h:988-988,refwrap.h:347-347,WaveFunction.cpp:185-188,NewTimer.h:242-242,NewTimer.h:249-249 | qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int) | Single | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 891 | exec | VectorSoAContainer.h:265-265,einspline_spo_ref.hpp:206-207,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 170 | exec | stl_vector.h:988-988,refwrap.h:347-347,WaveFunction.cpp:198-201,NewTimer.h:242-242,NewTimer.h:249-249 | 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 888 | exec | MultiBsplineRef.hpp:226-227,MultiBsplineRef.hpp:234-236 | void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long) | Outermost | 0.02 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 819 | exec | MultiBsplineRef.hpp:63-63,MultiBsplineRef.hpp:66-66 | miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&) | InBetween | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 2732 | exec | SoaDistanceTableABOMPTarget.h:214-215,SoaDistanceTableABOMPTarget.h:222-225 | qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&) | Outermost | 0.02 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 689 | exec | BsplineFunctor.h:291-298 | qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const | Single | 0.02 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 568 | exec | 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 | 0.02 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 581 | exec | stl_algobase.h:931-931,VectorSoAContainer.h:244-244,VectorSoAContainer.h:273-273,stl_iterator.h:1111-1111,BsplineFunctor.h:315-315,BsplineFunctor.h:336-336,OhmmsVector.h:223-223,OhmmsVector.h:249-249,TinyVector.h:62-62,stl_numeric.h:140-141,TwoBodyJastrowRef.h:268-269,TwoBodyJastrowRef.h:364-364,TwoBodyJastrowRef.h:367-369,TwoBodyJastrowRef.h:375-377,TwoBodyJastrowRef.h:386-393,TwoBodyJastrowRef.h:398-398 | miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&) | InBetween | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 980 | exec | OhmmsMatrix.h:217-217,OperatorTags.h:63-63,OperatorTags.h:92-94,OhmmsVector.h:248-248,TinyVector.h:62-62,TinyVectorOps.h:129-131,DiracDeterminantRef.cpp:173-173,DiracDeterminantRef.cpp:178-178,inner_product.hpp:82-83,inner_product.hpp:155-156 | 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 692 | exec | OneBodyJastrowRef.h:184-184,OneBodyJastrowRef.h:188-188,OneBodyJastrowRef.h:191-194 | 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 1242 | exec | 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 2358 | exec | VectorSoAContainer.h:271-273,stl_vector.h:1124-1124,ParticleBConds3DSoa.h:222-224,ParticleBConds3DSoa.h:234-234,ParticleBConds3DSoa.h:237-243,ParticleBConds3DSoa.h:246-248,ParticleBConds3DSoa.h:251-255,unique_ptr.h:199-199,OhmmsVector.h:223-223,OhmmsVector.h:248-248,SoaDistanceTableAAOMPTarget.h:184-185,RealSpacePositionsOMPTarget.h:163-163 | qmcplusplus::SoaDistanceTableAAOMPTarget::evaluate(qmcplusplus::ParticleSet&) | Outermost | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1236 | exec | stl_vector.h:988-988,unique_ptr.h:199-199,ParticleSet.cpp:343-344 | qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool) | Single | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 690 | exec | 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 116 | exec | random.h:1885-1885,RandomGenerator.h:51-54,random.tcc:404-409,random.tcc:412-417,random.tcc:420-425,random.tcc:458-458,random.tcc:3360-3361,random.tcc:3367-3367,random.tcc:3371-3371 | main._omp_fn.1 | InBetween | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 172 | exec | stl_vector.h:988-988,refwrap.h:347-347,WaveFunction.cpp:225-228,NewTimer.h:242-242,NewTimer.h:249-249 | 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 2290 | exec | 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 572 | exec | TinyVector.h:62-62,TwoBodyJastrowRef.h:150-150,TwoBodyJastrowRef.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 1891 | exec | stl_tree.h:790-790,stl_tree.h:1951-1953,NewTimer.h:119-119 | qmcplusplus::TimerType::stop() | Single | 0.04 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 579 | exec | stl_algobase.h:238-238,ParticleSet.h:313-313,ParticleSet.h:316-316,stl_vector.h:1143-1143,BsplineFunctor.h:276-276,BsplineFunctor.h:283-285,BsplineFunctor.h:291-298,BsplineFunctor.h:305-311,BsplineFunctor.h:315-318,BsplineFunctor.h:321-336,TwoBodyJastrowRef.h:269-271 | miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&) | InBetween | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 707 | exec | OneBodyJastrowRef.h:186-187 | 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 584 | exec | TwoBodyJastrowRef.h:375-375,TwoBodyJastrowRef.h:388-388,TwoBodyJastrowRef.h:393-393,TwoBodyJastrowRef.h:397-398,TwoBodyJastrowRef.h:402-402 | miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&) | InBetween | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 708 | exec | stl_numeric.h:140-141 | 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 815 | exec | BsplineAllocator.hpp:179-180 | qmcplusplus::BsplineAllocator >::setCoefficientsForOrbitals(int, int, Array&, multi_UBspline_3d_d*) [clone ._omp_fn.0] | Innermost | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 296 | exec | OperatorTags.h:94-94,OneBodyJastrowRef.h:169-169 | 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 77 | exec | OperatorTags.h:43-43,OperatorTags.h:63-63,TinyVector.h:145-145,NonLocalPP.hpp:131-132 | main._omp_fn.1 | Innermost | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1406 | exec | OperatorTags.h:43-43,OhmmsVector.h:178-178,VirtualParticleSet.cpp:120-120 | 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 1887 | exec | stl_tree.h:790-790,stl_tree.h:1951-1953,NewTimer.h:119-119 | qmcplusplus::TimerType::stop() | Single | 0.02 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 127 | exec | stl_algobase.h:918-919 | main._omp_fn.1 | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 123 | exec | random.h:1885-1885,StdRandom.h:102-103,random.tcc:404-409,random.tcc:412-417,random.tcc:420-425,random.tcc:458-458,random.tcc:3360-3361,random.tcc:3367-3368 | main._omp_fn.1 | InBetween | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 998 | exec | OhmmsMatrix.h:217-217,OperatorTags.h:63-63,OperatorTags.h:94-94,OhmmsVector.h:248-248,TinyVector.h:62-62,TinyVectorOps.h:129-131,DiracDeterminantRef.cpp:247-247,DiracDeterminantRef.cpp:252-252,inner_product.hpp:82-83,inner_product.hpp:155-156 | miniqmcreference::DiracDeterminantRef >::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 705 | exec | stl_iterator.h:1077-1077,stl_iterator.h:1111-1111,stl_iterator.h:1148-1148,stl_vector.h:1143-1143,stl_vector.h:1255-1256,OneBodyJastrowRef.h:109-113,OneBodyJastrowRef.h:123-123,OneBodyJastrowRef.h:184-188,OhmmsVector.h:223-223,OhmmsVector.h:249-249,stl_numeric.h:140-141 | 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 119 | exec | random.tcc:458-466,random.tcc:3362-3365 | main._omp_fn.1 | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 117 | exec | random.tcc:458-466,random.tcc:3362-3365 | main._omp_fn.1 | Innermost | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1743 | exec | VectorSoAContainer.h:41-41 | 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 968 | exec | OhmmsMatrix.h:236-236,OhmmsVector.h:223-223,DelayedUpdate.h:186-187 | miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int) | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 591 | exec | BsplineFunctor.h:305-336 | miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&) | Innermost | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1001 | exec | 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 | miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&) | Single | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 580 | exec | TwoBodyJastrowRef.h:377-377,TwoBodyJastrowRef.h:380-383 | miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&) | InBetween | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 704 | exec | OneBodyJastrowRef.h:184-184,OneBodyJastrowRef.h:188-188,OneBodyJastrowRef.h:191-194 | miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&) | InBetween | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 616 | exec | OperatorTags.h:94-94,TwoBodyJastrowRef.h:423-423 | miniqmcreference::TwoBodyJastrowRef >::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 74 | exec | stl_algobase.h:918-919,stl_algobase.h:930-931,stl_algobase.h:1123-1123,stl_algobase.h:1129-1129,random.h:1780-1780,random.h:1885-1885,ParticleSet.h:277-277,stl_vector.h:99-100,stl_vector.h:367-367,stl_vector.h:375-375,stl_vector.h:378-378,stl_vector.h:386-386,stl_vector.h:395-397,stl_vector.h:988-988,stl_vector.h:1124-1124,stl_vector.h:1712-1712,stl_vector.h:1904-1905,new_allocator.h:88-88,new_allocator.h:100-100,new_allocator.h:130-130,new_allocator.h:147-147,new_allocator.h:168-168,unique_ptr.h:199-199,OhmmsVector.h:46-48,OhmmsVector.h:210-210,OhmmsVector.h:221-223,TinyVector.h:62-62,refwrap.h:347-347,TinyVectorTensorOps.h:77-79,stl_construct.h:119-119,stl_uninitialized.h:639-639,stl_uninitialized.h:642-642,stl_uninitialized.h:660-660,stl_uninitialized.h:667-667,random.tcc:404-409,random.tcc:412-417,random.tcc:420-425,random.tcc:458-458,random.tcc:3360-3362,random.tcc:3367-3367,random.tcc:3371-3371,NonLocalPP.hpp:97-97,NonLocalPP.hpp:104-111,NonLocalPP.hpp:116-122,NonLocalPP.hpp:126-126,Mallocator.hpp:76-78,miniqmc.cpp:414-416,miniqmc.cpp:424-425,miniqmc.cpp:464-464,miniqmc.cpp:467-469,NewTimer.h:242-242,NewTimer.h:249-249 | main._omp_fn.1 | InBetween | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 605 | exec | 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 2736 | exec | VectorSoAContainer.h:148-154,VectorSoAContainer.h:167-167,VectorSoAContainer.h:174-176,stl_vector.h:1124-1124,OhmmsVector.h:149-149,OhmmsVector.h:156-158,OhmmsVector.h:212-217,OhmmsVector.h:248-248,SoaDistanceTableABOMPTarget.h:73-77 | qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&) | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 2418 | exec | VectorSoAContainer.h:167-167,VectorSoAContainer.h:174-176,stl_vector.h:1124-1124,stl_vector.h:1256-1256,OhmmsVector.h:149-149,OhmmsVector.h:156-158,aligned_allocator.hpp:46-46,SoaDistanceTableAAOMPTarget.h:96-96,SoaDistanceTableAAOMPTarget.h:106-109,Mallocator.hpp:78-79 | qmcplusplus::SoaDistanceTableAAOMPTarget::SoaDistanceTableAAOMPTarget(qmcplusplus::ParticleSet&) | Innermost | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 609 | exec | OperatorTags.h:94-94,TwoBodyJastrowRef.h:423-423 | miniqmcreference::TwoBodyJastrowRef >::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 599 | exec | OperatorTags.h:94-94,TwoBodyJastrowRef.h:423-423 | 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 1739 | exec | OhmmsVector.h:144-144,OhmmsVector.h:210-210,stl_construct.h:151-151,stl_construct.h:162-162,Mallocator.hpp:78-78 | qmcplusplus::DistanceTableAB::~DistanceTableAB() | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1532 | exec | OhmmsVector.h:144-144,OhmmsVector.h:210-210,stl_construct.h:151-151,stl_construct.h:162-162,Mallocator.hpp:78-78 | qmcplusplus::DistanceTableAA::~DistanceTableAA() | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 124 | exec | random.tcc:458-466,random.tcc:3362-3365 | main._omp_fn.1 | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1168 | exec | ostream:667-667,ParticleSet.h:127-127,OperatorTags.h:43-43,OperatorTags.h:63-63,char_traits.h:409-409,CrystalLattice.h:147-147,OhmmsVector.h:223-223,TinyVector.h:170-170,TinyVectorTensorOps.h:150-152,ParticleIOUtility.h:71-90 | void qmcplusplus::expandSuperCell(qmcplusplus::ParticleSet&, qmcplusplus::Tensor const&) | Innermost | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 601 | exec | 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 988 | exec | DiracMatrix.h:112-113 | miniqmcreference::DiracDeterminantRef >::invertPsiM(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&) | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 295 | exec | OneBodyJastrowRef.h:171-172 | 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 1883 | exec | PosTransformer.h:43-45 | qmcplusplus::RealSpacePositionsOMPTarget::setAllParticlePos(qmcplusplus::ParticleAttrib, std::allocator > > const&) | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 1533 | exec | VectorSoAContainer.h:150-150,stl_construct.h:162-162,Mallocator.hpp:78-78 | qmcplusplus::DistanceTableAA::~DistanceTableAA() | Single | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 174 | 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 379 | exec | stl_algobase.h:918-919 | qmcplusplus::Vector, std::allocator > >::resize(unsigned long, qmcplusplus::TinyVector) | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 120 | exec | random.tcc:404-409 | main._omp_fn.1 | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 112 | exec | random.tcc:404-409 | main._omp_fn.1 | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 880 | exec | random.tcc:458-466,random.tcc:3362-3365 | miniqmcreference::einspline_spo_ref::set(int, int, int, int, int, bool) | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 606 | exec | OperatorTags.h:94-94,TwoBodyJastrowRef.h:423-423 | 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 879 | exec | StdRandom.h:102-103,random.tcc:404-409,random.tcc:412-417,random.tcc:420-425,random.tcc:458-458,random.tcc:3360-3361,random.tcc:3367-3368 | 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 615 | exec | TwoBodyJastrowRef.h:423-425 | miniqmcreference::TwoBodyJastrowRef >::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 702 | exec | OperatorTags.h:94-94,OneBodyJastrowRef.h:169-169 | 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 600 | exec | OperatorTags.h:94-94,TwoBodyJastrowRef.h:423-423 | 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 1141 | exec | random.h:1885-1885,StdRandom.h:102-103,random.tcc:404-409,random.tcc:412-417,random.tcc:420-425,random.tcc:458-458,random.tcc:3360-3361,random.tcc:3367-3368 | qmcplusplus::build_els(qmcplusplus::ParticleSet const&, StdRandom >&, bool) | Outermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 701 | exec | OneBodyJastrowRef.h:171-172 | 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 986 | exec | DiracMatrix.h:31-35,std_abs.h:72-72 | miniqmcreference::DiracDeterminantRef >::invertPsiM(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&) | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 294 | exec | stl_numeric.h:140-141 | 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 |