Name | Module | Coverage (%) | Time (s) |
►miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+ | exec | 22.89 | 19.33 |
►Loop 817 - einspline_spo_ref.hpp:175-176 - exec+ | | 22.84 | 19.28 |
►Loop 819 - MultiBsplineRef.hpp:63-71 - exec+ | | 22.84 | 19.28 |
►Loop 818 - MultiBsplineRef.hpp:64-71 - exec+ | | 22.84 | 19.28 |
○Loop 820 - MultiBsplineRef.hpp:68-71 - exec | | 22.84 | 19.28 |
►void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)+ | exec | 22.59 | 19.07 |
►Loop 888 - MultiBsplineRef.hpp:226-262 - exec+ | | 21.3 | 17.99 |
►Loop 887 - MultiBsplineRef.hpp:227-262 - exec+ | | 21.3 | 17.99 |
○Loop 886 - MultiBsplineRef.hpp:242-262 - exec | | 21.3 | 17.99 |
○Loop 885 - MultiBsplineRef.hpp:276-286 - exec | | 1.21 | 1.03 |
○mkl_blas_avx512_dgemm_kernel_0 | libmkl_avx512.so.2 | 12.31 | 10.39 |
○mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1 | libmkl_avx512.so.2 | 11.48 | 9.69 |
►qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+ | exec | 10.46 | 8.84 |
►Loop 2732 - SoaDistanceTableABOMPTarget.h:214-228 - exec+ | | 10.44 | 8.82 |
►Loop 2731 - SoaDistanceTableABOMPTarget.h:215-228 - exec+ | | 10.44 | 8.82 |
○Loop 2733 - SoaDistanceTableABOMPTarget.h:228-228 - exec | | 10.44 | 8.82 |
►qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+ | exec | 4.84 | 4.09 |
○Loop 2289 - SoaDistanceTableAAOMPTarget.h:440-442 - exec | | 4.82 | 4.07 |
○Loop 2290 - SoaDistanceTableAAOMPTarget.h:437-437 - exec | | 0.01 | 0 |
○unknown_function | Unknown module | 2.21 | 1.87 |
►miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+ | exec | 1.78 | 1.51 |
►Loop 340 - TwoBodyJastrowRef.h:107-132 - exec+ | | 1.73 | 1.46 |
►Loop 341 - TwoBodyJastrowRef.h:127-132 - exec+ | | 1.73 | 1.46 |
○Loop 342 - BsplineFunctor.h:236-241 - exec | | 1.65 | 1.39 |
○Loop 343 - BsplineFunctor.h:246-260 - exec | | 0.08 | 0.07 |
○mkl_blas_avx512_dgemv_t_intrinsics | libmkl_avx512.so.2 | 1.59 | 1.34 |
►qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)+ | exec | 1.48 | 1.25 |
○Loop 2408 - ParticleBConds3DSoa.h:237-255 - exec | | 0.73 | 0.62 |
○Loop 2407 - ParticleBConds3DSoa.h:237-255 - exec | | 0.7 | 0.59 |
►miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+ | exec | 1.01 | 0.86 |
►Loop 568 - TwoBodyJastrowRef.h:320-355 - exec+ | | 0.61 | 0.51 |
○Loop 570 - TwoBodyJastrowRef.h:342-347 - exec | | 0.61 | 0.51 |
○Loop 571 - TwoBodyJastrowRef.h:324-331 - exec | | 0.38 | 0.32 |
○mkl_blas_avx512_dgemv_n_intrinsics | libmkl_avx512.so.2 | 0.96 | 0.81 |
►miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+ | exec | 0.89 | 0.75 |
►Loop 889 - einspline_spo_ref.hpp:219-227 - exec+ | | 0.88 | 0.74 |
○Loop 890 - einspline_spo_ref.hpp:223-227 - exec | | 0.88 | 0.74 |
►miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool)+ | exec | 0.76 | 0.64 |
►Loop 564 - TwoBodyJastrowRef.h:269-271 - exec+ | | 0.63 | 0.52 |
○Loop 565 - BsplineFunctor.h:291-298 - exec | | 0.54 | 0.45 |
○Loop 567 - BsplineFunctor.h:305-336 - exec | | 0.09 | 0.07 |
○mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0 | libmkl_avx512.so.2 | 0.69 | 0.58 |
○unknown_kernel_region | kernel | 0.55 | 0.47 |
►miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+ | exec | 0.49 | 0.41 |
►Loop 980 - DiracDeterminantRef.cpp:173-178 - exec+ | | 0.49 | 0.41 |
○Loop 981 - inner_product.hpp:155-155 - exec | | 0.28 | 0.23 |
○Loop 982 - inner_product.hpp:82-83 - exec | | 0.21 | 0.18 |
►miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+ | exec | 0.44 | 0.37 |
►Loop 572 - TwoBodyJastrowRef.h:150-157 - exec+ | | 0.35 | 0.3 |
○Loop 573 - TwoBodyJastrowRef.h:155-156 - exec | | 0.35 | 0.3 |
○Loop 574 - stl_numeric.h:140-141 - exec | | 0.09 | 0.08 |
►miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+ | exec | 0.39 | 0.33 |
○Loop 977 - inner_product.hpp:155-155 - exec | | 0.39 | 0.33 |
►miniqmcreference::DiracDeterminantRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+ | exec | 0.24 | 0.2 |
►Loop 975 - SPOSet.h:83-86 - exec+ | | 0.23 | 0.19 |
○Loop 976 - inner_product.hpp:82-83 - exec | | 0.23 | 0.19 |
►miniqmcreference::DiracDeterminantRef >::invertPsiM(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&)+ | exec | 0.23 | 0.2 |
►Loop 995 - inner_product.hpp:210-212 - exec+ | | 0.23 | 0.2 |
○Loop 996 - inner_product.hpp:211-212 - exec | | 0.23 | 0.2 |
►miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)+ | exec | 0.17 | 0.14 |
►Loop 575 - TwoBodyJastrowRef.h:268-402 - exec+ | | 0.17 | 0.13 |
►Loop 581 - TwoBodyJastrowRef.h:268-402 - exec+ | | 0.17 | 0.13 |
►Loop 580 - TwoBodyJastrowRef.h:377-383 - exec+ | | 0.05 | 0.04 |
○Loop 587 - TwoBodyJastrowRef.h:381-382 - exec | | 0.05 | 0.04 |
►Loop 579 - TwoBodyJastrowRef.h:269-271 - exec+ | | 0.04 | 0.04 |
○Loop 590 - BsplineFunctor.h:291-298 - exec | | 0.04 | 0.04 |
○Loop 588 - TwoBodyJastrowRef.h:375-376 - exec | | 0.03 | 0.02 |
►Loop 584 - TwoBodyJastrowRef.h:375-402 - exec+ | | 0.03 | 0.02 |
○Loop 585 - TwoBodyJastrowRef.h:397-398 - exec | | 0.03 | 0.02 |
○Loop 586 - TwoBodyJastrowRef.h:388-391 - exec | | 0.01 | 0.01 |
○Loop 589 - stl_numeric.h:140-141 - exec | | 0.01 | 0 |
►miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+ | exec | 0.15 | 0.13 |
○Loop 971 - inner_product.hpp:155-155 - exec | | 0.08 | 0.07 |
○Loop 972 - inner_product.hpp:82-83 - exec | | 0.05 | 0.05 |
►qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)+ | exec | 0.12 | 0.1 |
○Loop 2539 - ParticleBConds3DSoa.h:237-255 - exec | | 0.07 | 0.06 |
○Loop 2540 - ParticleBConds3DSoa.h:237-255 - exec | | 0.05 | 0.04 |
○mkl_lapack_xdlaswp | libmkl_core.so.2 | 0.11 | 0.1 |
►qmcplusplus::SoaDistanceTableAAOMPTarget::evaluate(qmcplusplus::ParticleSet&)+ | exec | 0.1 | 0.09 |
►Loop 2358 - SoaDistanceTableAAOMPTarget.h:184-185 - exec+ | | 0.1 | 0.09 |
○Loop 2359 - ParticleBConds3DSoa.h:237-255 - exec | | 0.1 | 0.09 |
○mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0 | libmkl_avx512.so.2 | 0.1 | 0.08 |
►main._omp_fn.1+ | exec | 0.09 | 0.08 |
►Loop 65 - stl_algobase.h:918-1129 - exec+ | | 0.03 | 0.02 |
►Loop 74 - new_allocator.h:88-168 - exec+ | | 0.03 | 0.02 |
►Loop 102 - RandomGenerator.h:51-60 - exec+ | | 0.03 | 0.02 |
○Loop 107 - miniqmc.cpp:429-458 - exec | | 0.02 | 0.02 |
►Loop 116 - random.tcc:404-3371 - exec+ | | 0.01 | 0 |
○Loop 117 - random.tcc:458-3365 - exec | | 0.01 | 0 |
►miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+ | exec | 0.08 | 0.07 |
►Loop 998 - DiracDeterminantRef.cpp:247-252 - exec+ | | 0.08 | 0.07 |
○Loop 1000 - inner_product.hpp:155-155 - exec | | 0.06 | 0.05 |
○Loop 999 - inner_product.hpp:82-83 - exec | | 0.02 | 0.02 |
○gomp_team_barrier_wait_end | libgomp.so.1.0.0 | 0.07 | 0.06 |
►miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+ | exec | 0.06 | 0.05 |
►Loop 692 - OneBodyJastrowRef.h:184-194 - exec+ | | 0.03 | 0.02 |
○Loop 694 - OneBodyJastrowRef.h:192-193 - exec | | 0.03 | 0.02 |
○Loop 693 - stl_numeric.h:140-141 - exec | | 0.02 | 0.02 |
○__dynamic_cast | libstdc++.so.6.0.31 | 0.05 | 0.05 |
○mkl_blas_avx512_dtrsm_kernel_ll_0 | libmkl_avx512.so.2 | 0.05 | 0.04 |
○mkl_blas_avx512_dgemm_dcopy_right8_ea | libmkl_avx512.so.2 | 0.05 | 0.04 |
○f64xsubf128 | libm-2.28.so | 0.05 | 0.04 |
○mkl_blas_avx512_dgemm_dcopy_down24_ea | libmkl_avx512.so.2 | 0.04 | 0.03 |
○qmcplusplus::TimerType::start() | exec | 0.04 | 0.03 |
○gomp_barrier_wait_end | libgomp.so.1.0.0 | 0.03 | 0.02 |
►miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*) [clone .isra.0]+ | exec | 0.03 | 0.02 |
►Loop 216 - OneBodyJastrowRef.h:214-218 - exec+ | | 0.02 | 0.02 |
○Loop 217 - OneBodyJastrowRef.h:214-216 - exec | | 0.02 | 0.02 |
○qmcplusplus::VirtualParticleSet::makeMoves(qmcplusplus::ParticleSet const&, int, std::vector, std::allocator > > const&, bool, int) | exec | 0.02 | 0.02 |
►miniqmcreference::DiracDeterminantRef >::resize(int, int)+ | exec | 0.02 | 0.02 |
►Loop 1007 - stl_algobase.h:262-1129 - exec+ | | 0.02 | 0.02 |
○Loop 1010 - stl_algobase.h:918-919 - exec | | 0.02 | 0.02 |
○gomp_ialias_omp_get_level | libgomp.so.1.0.0 | 0.02 | 0.02 |
►miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+ | exec | 0.02 | 0.02 |
►Loop 258 - OneBodyJastrowRef.h:134-155 - exec+ | | 0.02 | 0.02 |
►Loop 260 - OneBodyJastrowRef.h:143-146 - exec+ | | 0.02 | 0.02 |
○Loop 261 - BsplineFunctor.h:236-241 - exec | | 0.02 | 0.02 |
○mkl_blas_avx512_xdgemv | libmkl_avx512.so.2 | 0.02 | 0.02 |
○qmcplusplus::SoaDistanceTableABOMPTarget::update(int) | exec | 0.02 | 0.02 |
►miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particl...+ | exec | 0.02 | 0.02 |
►Loop 705 - OneBodyJastrowRef.h:109-194 - exec+ | | 0.02 | 0.02 |
►Loop 704 - OneBodyJastrowRef.h:184-194 - exec+ | | 0.02 | 0.02 |
○Loop 706 - OneBodyJastrowRef.h:192-193 - exec | | 0.02 | 0.02 |
○mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1 | libmkl_avx512.so.2 | 0.01 | 0.01 |
○qmcplusplus::TimerType::stop() | exec | 0.01 | 0.01 |
○miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int) | exec | 0.01 | 0.01 |
○qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&) | exec | 0.01 | 0.01 |
○unknown_function | exec | 0.01 | 0.01 |
○DGEMV | libmkl_intel_lp64.so.2 | 0.01 | 0 |
○mkl_blas_xdger | libmkl_core.so.2 | 0.01 | 0 |
○mkl_blas_xdgemv | libmkl_core.so.2 | 0.01 | 0 |
○mkl_blas_errchk_dgemv | libmkl_intel_lp64.so.2 | 0.01 | 0 |
○mkl_serv_lsame | libmkl_core.so.2 | 0.01 | 0 |
○mkl_set_xerbla_interface | libmkl_intel_lp64.so.2 | 0.01 | 0 |
○mkl_serv_set_xerbla_interface@plt | libmkl_intel_lp64.so.2 | 0.01 | 0 |
○mkl_blas_avx512_xdgemm | libmkl_avx512.so.2 | 0.01 | 0 |
○mkl_blas_avx512_dgemm_initialize_kernel_info | libmkl_avx512.so.2 | 0.01 | 0 |
○mkl_blas_avx512_xdgemm_nocopy_driver | libmkl_avx512.so.2 | 0.01 | 0 |
○qmcplusplus::Vector > >::resize(unsigned long, double) | exec | 0.01 | 0 |
○qmcplusplus::RealSpacePositionsOMPTarget::setOneParticlePos(qmcplusplus::TinyVector const&, unsigned long) | exec | 0.01 | 0 |
○qmcplusplus::ParticleSet::acceptMove(int) | exec | 0.01 | 0 |
○qmcplusplus::ParticleSet::getDistTableAB(int) const | exec | 0.01 | 0 |
○gomp_init_task | libgomp.so.1.0.0 | 0.01 | 0 |
○qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const | exec | 0.01 | 0 |
○gomp_ialias_omp_get_ancestor_thread_num | libgomp.so.1.0.0 | 0.01 | 0 |
○miniqmcreference::TwoBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int) | exec | 0.01 | 0 |
►qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+ | exec | 0.01 | 0 |
○Loop 170 - stl_vector.h:988-988 - exec | | 0.01 | 0 |
○qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int) | exec | 0.01 | 0 |
○mkl_blas_avx512_xdger | libmkl_avx512.so.2 | 0 | 0 |