Name | Module | Coverage (%) | Time (s) |
►miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+ | exec | 28.48 | 22.6 |
►Loop 846 - MultiBsplineRef.hpp:42-71 - exec+ | | 28.41 | 22.55 |
►Loop 847 - MultiBsplineRef.hpp:63-71 - exec+ | | 28.41 | 22.55 |
►Loop 848 - MultiBsplineRef.hpp:64-71 - exec+ | | 28.41 | 22.55 |
○Loop 849 - MultiBsplineRef.hpp:68-70 - exec | | 28.41 | 22.55 |
►miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+ | exec | 17.26 | 13.69 |
►Loop 852 - MultiBsplineRef.hpp:187-286 - exec+ | | 15.02 | 11.91 |
►Loop 854 - MultiBsplineRef.hpp:226-262 - exec+ | | 14.72 | 11.68 |
►Loop 855 - MultiBsplineRef.hpp:227-262 - exec+ | | 14.72 | 11.68 |
►Loop 859 - MultiBsplineRef.hpp:242-262 - exec+ | | 14.72 | 11.68 |
○Loop 861 - MultiBsplineRef.hpp:242-262 - exec | | 8.32 | 6.6 |
○Loop 860 - MultiBsplineRef.hpp:242-261 - exec | | 6.4 | 5.08 |
○Loop 853 - MultiBsplineRef.hpp:276-286 - exec | | 0.3 | 0.23 |
►Loop 850 - einspline_spo_ref.hpp:219-227 - exec+ | | 0.66 | 0.52 |
○Loop 851 - einspline_spo_ref.hpp:223-227 - exec | | 0.66 | 0.52 |
○mkl_blas_avx512_dgemm_kernel_0 | libmkl_avx512.so.2 | 11.65 | 9.24 |
○mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1 | libmkl_avx512.so.2 | 11.37 | 9.02 |
►qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+ | exec | 9.47 | 7.51 |
►Loop 2083 - SoaDistanceTableABOMPTarget.h:214-228 - exec+ | | 9.45 | 7.5 |
►Loop 2084 - SoaDistanceTableABOMPTarget.h:215-228 - exec+ | | 9.45 | 7.5 |
○Loop 2082 - SoaDistanceTableABOMPTarget.h:228-228 - exec | | 9.45 | 7.5 |
○Loop 2085 - SoaDistanceTableABOMPTarget.h:194-196 - exec | | 0.01 | 0 |
►qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+ | exec | 5.16 | 4.09 |
○Loop 1852 - SoaDistanceTableAAOMPTarget.h:440-442 - exec | | 5.15 | 4.09 |
○kmp_flag_64::wait(kmp_info*, int, void*) | libiomp5.so | 1.92 | 1.52 |
►void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+ | exec | 1.73 | 1.37 |
○Loop 1363 - ParticleBConds3DSoa.h:235-256 - exec | | 1.71 | 1.36 |
►__intel_avx_rep_memset+ | exec | 1.71 | 1.36 |
○Loop 2352 - - exec | | 1 | 0.79 |
►miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+ | exec | 1.48 | 1.17 |
►Loop 384 - TwoBodyJastrowRef.h:107-132 - exec+ | | 1.44 | 1.14 |
►Loop 385 - BsplineFunctor.h:229-260 - exec+ | | 1.44 | 1.14 |
○Loop 388 - TwoBodyJastrowRef.h:107-107 - exec | | 1.34 | 1.06 |
○Loop 386 - BsplineFunctor.h:246-260 - exec | | 0.1 | 0.08 |
○mkl_blas_avx512_dgemv_t_intrinsics | libmkl_avx512.so.2 | 1.44 | 1.14 |
►miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+ | exec | 0.9 | 0.71 |
○Loop 359 - TwoBodyJastrowRef.h:342-347 - exec | | 0.27 | 0.22 |
○Loop 361 - TwoBodyJastrowRef.h:342-347 - exec | | 0.21 | 0.16 |
○Loop 363 - TwoBodyJastrowRef.h:324-331 - exec | | 0.21 | 0.16 |
○Loop 357 - TwoBodyJastrowRef.h:342-347 - exec | | 0.18 | 0.14 |
○mkl_blas_avx512_dgemv_n_intrinsics | libmkl_avx512.so.2 | 0.88 | 0.7 |
○unknown_function | Unknown module | 0.76 | 0.6 |
○mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0 | libmkl_avx512.so.2 | 0.7 | 0.55 |
►qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+ | exec | 0.66 | 0.52 |
○Loop 332 - BsplineFunctor.h:291-297 - exec | | 0.53 | 0.42 |
○Loop 330 - BsplineFunctor.h:303-338 - exec | | 0.04 | 0.04 |
►miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+ | exec | 0.65 | 0.51 |
►Loop 971 - inner_product.hpp:82-155 - exec+ | | 0.65 | 0.51 |
○Loop 973 - inner_product.hpp:155-155 - exec | | 0.42 | 0.33 |
○Loop 975 - inner_product.hpp:82-83 - exec | | 0.23 | 0.18 |
►miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+ | exec | 0.48 | 0.38 |
○Loop 960 - inner_product.hpp:155-155 - exec | | 0.47 | 0.37 |
►miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+ | exec | 0.47 | 0.37 |
○Loop 350 - TwoBodyJastrowRef.h:155-156 - exec | | 0.14 | 0.11 |
○Loop 351 - TwoBodyJastrowRef.h:155-156 - exec | | 0.13 | 0.1 |
○Loop 352 - TwoBodyJastrowRef.h:155-156 - exec | | 0.11 | 0.09 |
○Loop 354 - stl_numeric.h:126-127 - exec | | 0.06 | 0.04 |
○Loop 355 - TwoBodyJastrowRef.h:269-274 - exec | | 0.02 | 0.01 |
►qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+ | exec | 0.43 | 0.34 |
►Loop 862 - inner_product.hpp:82-83 - exec+ | | 0.42 | 0.33 |
○Loop 864 - inner_product.hpp:82-83 - exec | | 0.42 | 0.33 |
►miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+ | exec | 0.38 | 0.3 |
○Loop 961 - inner_product.hpp:155-155 - exec | | 0.28 | 0.22 |
○Loop 964 - inner_product.hpp:82-83 - exec | | 0.04 | 0.04 |
○unknown_kernel_region | kernel | 0.21 | 0.17 |
►miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+ | exec | 0.18 | 0.14 |
►Loop 368 - TwoBodyJastrowRef.h:268-420 - exec+ | | 0.17 | 0.12 |
►Loop 369 - stl_algobase.h:200-754 - exec+ | | 0.17 | 0.12 |
○Loop 370 - TwoBodyJastrowRef.h:393-398 - exec | | 0.06 | 0.05 |
○Loop 372 - TwoBodyJastrowRef.h:388-391 - exec | | 0.03 | 0.02 |
○Loop 376 - TwoBodyJastrowRef.h:381-382 - exec | | 0.02 | 0.01 |
○Loop 380 - TwoBodyJastrowRef.h:375-376 - exec | | 0.02 | 0.01 |
○Loop 378 - TwoBodyJastrowRef.h:381-382 - exec | | 0.02 | 0.01 |
○Loop 374 - TwoBodyJastrowRef.h:381-382 - exec | | 0.01 | 0.01 |
○Loop 382 - stl_numeric.h:126-127 - exec | | 0.01 | 0.01 |
○__intel_avx_rep_memcpy | exec | 0.16 | 0.13 |
○mkl_lapack_xdlaswp | libmkl_core.so.2 | 0.15 | 0.12 |
○mkl_blas_avx512_dgemm_dcopy_right8_ea | libmkl_avx512.so.2 | 0.11 | 0.09 |
►miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+ | exec | 0.1 | 0.08 |
►Loop 954 - inner_product.hpp:82-155 - exec+ | | 0.1 | 0.08 |
○Loop 958 - inner_product.hpp:155-155 - exec | | 0.06 | 0.04 |
○Loop 956 - inner_product.hpp:82-83 - exec | | 0.04 | 0.04 |
○mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0 | libmkl_avx512.so.2 | 0.08 | 0.06 |
○mkl_blas_avx512_dtrsm_kernel_ll_0 | libmkl_avx512.so.2 | 0.07 | 0.05 |
►qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+ | exec | 0.07 | 0.05 |
►Loop 938 - inner_product.hpp:210-212 - exec+ | | 0.07 | 0.05 |
►Loop 939 - inner_product.hpp:210-212 - exec+ | | 0.07 | 0.05 |
►Loop 940 - inner_product.hpp:210-212 - exec+ | | 0.07 | 0.05 |
○Loop 941 - inner_product.hpp:211-212 - exec | | 0.07 | 0.05 |
►miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+ | exec | 0.07 | 0.05 |
►Loop 303 - OneBodyJastrowRef.h:134-155 - exec+ | | 0.05 | 0.03 |
►Loop 305 - BsplineFunctor.h:229-260 - exec+ | | 0.05 | 0.03 |
○Loop 308 - OneBodyJastrowRef.h:134-134 - exec | | 0.04 | 0.03 |
○Loop 306 - BsplineFunctor.h:246-260 - exec | | 0.01 | 0 |
○__libm_exp_z0 | exec | 0.04 | 0.04 |
►miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+ | exec | 0.04 | 0.04 |
○Loop 268 - OneBodyJastrowRef.h:186-187 - exec | | 0.02 | 0.01 |
○Loop 258 - stl_numeric.h:126-127 - exec | | 0.01 | 0 |
○Loop 263 - OneBodyJastrowRef.h:192-193 - exec | | 0.01 | 0 |
○Loop 264 - OneBodyJastrowRef.h:192-193 - exec | | 0.01 | 0.01 |
○qmcplusplus::TimerType::stop() | exec | 0.04 | 0.03 |
○kmp_flag_native::notdone_check() | libiomp5.so | 0.04 | 0.03 |
►qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)+ | exec | 0.04 | 0.03 |
►Loop 75 - NonLocalPP.hpp:122-135 - exec+ | | 0.01 | 0.01 |
►Loop 76 - NonLocalPP.hpp:126-135 - exec+ | | 0.01 | 0.01 |
○Loop 77 - NonLocalPP.hpp:131-132 - exec | | 0.01 | 0.01 |
○__kmp_api_omp_get_level | libiomp5.so | 0.03 | 0.02 |
○qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool) | exec | 0.03 | 0.02 |
○qmcplusplus::TimerType::start() | exec | 0.03 | 0.02 |
○__dynamic_cast | libstdc++.so.6.0.25 | 0.03 | 0.02 |
○mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1 | libmkl_avx512.so.2 | 0.03 | 0.02 |
►qmcplusplus::Vector >::resize(unsigned long, double)+ | exec | 0.03 | 0.02 |
○Loop 313 - stl_algobase.h:752-754 - exec | | 0.03 | 0.02 |
○_dl_update_slotinfo | ld-2.28.so | 0.03 | 0.02 |
►main.extracted.110+ | exec | 0.03 | 0.02 |
►Loop 23 - new_allocator.h:101-125 - exec+ | | 0.03 | 0.02 |
►Loop 35 - StdRandom.h:102-103 - exec+ | | 0.03 | 0.02 |
○Loop 36 - miniqmc.cpp:429-458 - exec | | 0.03 | 0.02 |
○__tls_get_addr | ld-2.28.so | 0.03 | 0.02 |
○mkl_blas_avx512_dgemm_dcopy_down24_ea | libmkl_avx512.so.2 | 0.02 | 0.01 |
○__kmp_get_global_thread_id_reg | libiomp5.so | 0.02 | 0.01 |
○qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool) | exec | 0.02 | 0.01 |
○miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int) | exec | 0.02 | 0.01 |
○__cxxabiv1::__vmi_class_type_info::__do_dyncast(long, __cxxabiv1::__class_type_info::__sub_kind, __cxxabiv1::__class_type_info const*, void const*, __cxxabiv1::__class_type_info const*, void const*, __cxxabiv1::__class_type_info::__dyncast_result&) const | libstdc++.so.6.0.25 | 0.02 | 0.01 |
►miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)+ | exec | 0.02 | 0.01 |
○Loop 329 - OneBodyJastrowRef.h:214-219 - exec | | 0.02 | 0.01 |
►qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+ | exec | 0.02 | 0.01 |
○Loop 102 - WaveFunction.cpp:198-201 - exec | | 0.01 | 0 |
►qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)+ | exec | 0.02 | 0.01 |
○Loop 101 - WaveFunction.cpp:185-188 - exec | | 0.02 | 0.01 |
○DGEMV | libmkl_intel_lp64.so.2 | 0.01 | 0.01 |
○qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool) | exec | 0.01 | 0.01 |
►miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+ | exec | 0.01 | 0.01 |
►Loop 290 - OneBodyJastrowRef.h:109-194 - exec+ | | 0.02 | 0 |
○Loop 297 - OneBodyJastrowRef.h:192-193 - exec | | 0.01 | 0 |
○Loop 295 - OneBodyJastrowRef.h:192-193 - exec | | 0.01 | 0 |
○miniqmcreference::OneBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int) | exec | 0.01 | 0.01 |
○qmcplusplus::WaveFunction::acceptMove(qmcplusplus::ParticleSet&, int) | exec | 0.01 | 0.01 |
○mkl_blas_dger | libmkl_intel_thread.so.2 | 0.01 | 0 |
○mkl_blas_dgemv | libmkl_intel_thread.so.2 | 0.01 | 0 |
○mkl_blas_xdger | libmkl_core.so.2 | 0.01 | 0 |
○mkl_serv_domain_get_max_threads | libmkl_intel_thread.so.2 | 0.01 | 0 |
○mkl_serv_cpu_detect | libmkl_core.so.2 | 0.01 | 0 |
○mkl_blas_avx512_get_kernel_api_version | libmkl_avx512.so.2 | 0.01 | 0 |
○mkl_blas_avx512_xdgemv | libmkl_avx512.so.2 | 0.01 | 0 |
○__kmp_api_omp_in_parallel | libiomp5.so | 0.01 | 0 |
○mkl_blas_xdger@plt | libmkl_intel_thread.so.2 | 0.01 | 0 |
○qmcplusplus::RealSpacePositionsOMPTarget::setOneParticlePos(qmcplusplus::TinyVector const&, unsigned long) | exec | 0.01 | 0 |
○qmcplusplus::ParticleSet::computeNewPosDistTables(int, qmcplusplus::TinyVector const&, bool) | exec | 0.01 | 0 |
○qmcplusplus::ParticleSet::update(bool) | exec | 0.01 | 0 |
○qmcplusplus::Vector > >::resize(unsigned long, double) | exec | 0.01 | 0 |
►miniqmcreference::DiracDeterminantRef >::resize(int, int)+ | exec | 0.01 | 0 |
○Loop 983 - stl_algobase.h:740-742 - exec | | 0.01 | 0 |
○miniqmcreference::DiracDeterminantRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&) | exec | 0.01 | 0 |
○void qmcplusplus::DelayedUpdate::getInvRow > >(qmcplusplus::Matrix > const&, int, qmcplusplus::Vector >&) | exec | 0.01 | 0 |
○miniqmcreference::TwoBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int) | exec | 0.01 | 0 |
○update_get_addr | ld-2.28.so | 0.01 | 0 |
○miniqmcreference::OneBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int) | exec | 0.01 | 0 |
○qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&) | exec | 0.01 | 0 |
○.plt.sec@start | libiomp5.so | 0.01 | 0 |
○mkl_blas_avx512_xdgemm_nocopy_driver | libmkl_avx512.so.2 | 0 | 0 |
○mkl_blas_avx512_xdger | libmkl_avx512.so.2 | 0 | 0 |