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Profiling node o405 - process 152934 - thread 153021

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+libqmcwfs.so21.6424.64
Loop 687 - einspline_spo_ref.hpp:175-176 - libqmcwfs.so+21.6124.61
Loop 689 - MultiBsplineRef.hpp:63-71 - libqmcwfs.so+21.6124.61
Loop 688 - MultiBsplineRef.hpp:64-71 - libqmcwfs.so+21.6124.61
Loop 690 - MultiBsplineRef.hpp:68-71 - libqmcwfs.so21.6124.61
void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)+libqmcwfs.so21.3424.3
Loop 694 - MultiBsplineRef.hpp:226-262 - libqmcwfs.so+20.1722.97
Loop 693 - MultiBsplineRef.hpp:227-262 - libqmcwfs.so+20.1722.97
Loop 692 - MultiBsplineRef.hpp:239-262 - libqmcwfs.so20.1722.97
Loop 691 - MultiBsplineRef.hpp:276-286 - libqmcwfs.so1.131.29
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.213.6815.58
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.213.0714.89
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+libqmcparticle_omptarget.so7.939.03
Loop 479 - SoaDistanceTableABOMPTarget.h:214-228 - libqmcparticle_omptarget.so+7.929.02
Loop 478 - ParticleBConds3DSoa.h:280-298 - libqmcparticle_omptarget.so+7.929.02
Loop 480 - ParticleBConds3DSoa.h:280-298 - libqmcparticle_omptarget.so7.929.02
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+libqmcparticle_omptarget.so6.277.13
Loop 226 - SoaDistanceTableAAOMPTarget.h:440-442 - libqmcparticle_omptarget.so6.267.13
unknown_functionUnknown module2.793.18
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+libqmcparticle_omptarget.so1.721.96
Loop 441 - ParticleBConds3DSoa.h:237-255 - libqmcparticle_omptarget.so1.711.94
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+libqmcwfs.so1.61.83
Loop 563 - TwoBodyJastrowRef.h:107-132 - libqmcwfs.so+1.581.81
Loop 564 - BsplineFunctor.h:232-260 - libqmcwfs.so+1.581.81
Loop 565 - BsplineFunctor.h:236-241 - libqmcwfs.so1.531.75
Loop 566 - BsplineFunctor.h:246-260 - libqmcwfs.so0.050.06
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.41.59
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+libqmcwfs.so1.231.4
Loop 492 - TwoBodyJastrowRef.h:320-355 - libqmcwfs.so+0.810.92
Loop 494 - TwoBodyJastrowRef.h:342-347 - libqmcwfs.so0.810.92
Loop 495 - TwoBodyJastrowRef.h:324-331 - libqmcwfs.so0.410.47
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+libqmcwfs.so0.991.13
Loop 553 - TwoBodyJastrow.h:150-157 - libqmcwfs.so+0.440.5
Loop 554 - TwoBodyJastrow.h:155-156 - libqmcwfs.so0.440.5
Loop 556 - TwoBodyJastrowRef.h:269-271 - libqmcwfs.so+0.410.47
Loop 557 - BsplineFunctor.h:291-298 - libqmcwfs.so0.370.42
Loop 559 - BsplineFunctor.h:305-336 - libqmcwfs.so0.040.05
Loop 555 - stl_numeric.h:140-141 - libqmcwfs.so0.070.09
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.20.981.11
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.20.891.01
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+libqmcwfs.so0.870.99
Loop 695 - einspline_spo_ref.hpp:219-227 - libqmcwfs.so+0.860.97
Loop 696 - einspline_spo_ref.hpp:223-227 - libqmcwfs.so0.860.97
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+libqmcwfs.so0.590.67
Loop 741 - DiracDeterminantRef.cpp:173-178 - libqmcwfs.so+0.590.67
Loop 742 - OperatorTags.h:63-94 - libqmcwfs.so0.390.44
Loop 743 - inner_product.hpp:82-83 - libqmcwfs.so0.20.23
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+libqmcwfs.so0.350.4
Loop 746 - OperatorTags.h:63-94 - libqmcwfs.so0.350.4
miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool)+libqmcwfs.so0.330.38
Loop 488 - TwoBodyJastrowRef.h:269-271 - libqmcwfs.so+0.330.37
Loop 489 - BsplineFunctor.h:291-298 - libqmcwfs.so0.30.34
Loop 491 - BsplineFunctor.h:305-336 - libqmcwfs.so0.030.03
qmcplusplus::SoaDistanceTableAAOMPTarget::evaluate(qmcplusplus::ParticleSet&)+libqmcparticle_omptarget.so0.240.27
Loop 257 - SoaDistanceTableAAOMPTarget.h:184-187 - libqmcparticle_omptarget.so+0.230.27
Loop 258 - ParticleBConds3DSoa.h:237-255 - libqmcparticle_omptarget.so0.230.27
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+libqmcwfs.so0.220.26
Loop 710 - inner_product.hpp:210-212 - libqmcwfs.so+0.220.25
Loop 711 - inner_product.hpp:211-212 - libqmcwfs.so0.220.25
mkl_lapack_xdlaswplibmkl_core.so.20.180.2
unknown_kernel_regionkernel0.170.19
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+libqmcwfs.so0.140.16
Loop 40 - SPOSet.h:83-88 - libqmcwfs.so+0.140.16
Loop 41 - inner_product.hpp:82-83 - libqmcwfs.so0.140.16
qmcplusplus::TinyVector qmcplusplus::simd::dot(double const*, qmcplusplus::TinyVector const*, int)+libqmcwfs.so0.140.16
Loop 672 - inner_product.hpp:155-155 - libqmcwfs.so0.140.16
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+libqmcwfs.so0.130.15
Loop 747 - DiracDeterminantRef.cpp:247-252 - libqmcwfs.so+0.140.15
Loop 749 - OperatorTags.h:63-94 - libqmcwfs.so0.10.11
Loop 748 - inner_product.hpp:82-83 - libqmcwfs.so0.040.04
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.110.13
main._omp_fn.1+exec0.110.13
Loop 32 - - exec+0.020.02
Loop 41 - - exec+0.020.02
Loop 69 - - exec+0.020.02
Loop 74 - - exec0.020.02
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+libqmcwfs.so0.10.11
Loop 745 - inner_product.hpp:82-83 - libqmcwfs.so0.10.11
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+libqmcwfs.so0.090.11
Loop 441 - TwoBodyJastrowRef.h:423-431 - libqmcwfs.so1.711.94
Loop 451 - TwoBodyJastrowRef.h:254-398 - libqmcwfs.so+0.090.09
Loop 457 - TwoBodyJastrowRef.h:268-398 - libqmcwfs.so+0.080.08
Loop 456 - TwoBodyJastrowRef.h:377-383 - libqmcwfs.so+0.050.05
Loop 463 - TwoBodyJastrowRef.h:381-382 - libqmcwfs.so0.050.05
Loop 455 - TwoBodyJastrowRef.h:269-271 - libqmcwfs.so+0.030.03
Loop 466 - BsplineFunctor.h:291-298 - libqmcwfs.so0.030.03
Loop 454 - TwoBodyJastrowRef.h:254-398 - libqmcwfs.so+0.010.01
Loop 452 - TwoBodyJastrowRef.h:269-397 - libqmcwfs.so+0.010.01
Loop 478 - BsplineFunctor.h:305-336 - libqmcwfs.so0.010.01
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.070.09
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.070.08
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+libqmcwfs.so0.050.06
Loop 653 - OneBodyJastrowRef.h:134-155 - libqmcwfs.so+0.030.03
Loop 655 - OneBodyJastrowRef.h:143-146 - libqmcwfs.so+0.030.03
Loop 656 - BsplineFunctor.h:236-241 - libqmcwfs.so0.030.03
f64xsubf128libm-2.28.so0.050.05
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+libqmcwfs.so0.040.05
Loop 605 - OneBodyJastrow.h:188-194 - libqmcwfs.so+0.030.03
Loop 607 - OneBodyJastrow.h:192-193 - libqmcwfs.so0.030.03
Loop 608 - OneBodyJastrow.h:186-187 - libqmcwfs.so0.010.02
gomp_team_barrier_wait_endlibgomp.so.1.0.00.030.04
__dynamic_castlibstdc++.so.6.0.310.030.03
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.020.03
__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&) constlibstdc++.so.6.0.310.020.03
qmcplusplus::TimerType::stop()libqmcutil.so0.020.03
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.020.02
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)+libqmcparticle_omptarget.so0.020.02
Loop 404 - stl_algo.h:731-757 - libqmcparticle_omptarget.so0.010.01
qmcplusplus::Vector, std::allocator > >::resize(unsigned long, qmcplusplus::TinyVector)+libqmcwfs.so0.020.02
Loop 243 - stl_algobase.h:918-919 - libqmcwfs.so0.020.02
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)libqmcwfs.so0.020.02
qmcplusplus::TimerType::start()libqmcutil.so0.020.02
mkl_blas_avx512_xdgerlibmkl_avx512.so.20.010.02
miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particl...+libqmcwfs.so0.010.02
Loop 619 - OneBodyJastrowRef.h:109-237 - libqmcwfs.so+0.010.01
Loop 618 - OneBodyJastrow.h:188-194 - libqmcwfs.so+0.010.01
Loop 620 - OneBodyJastrow.h:193-193 - libqmcwfs.so0.010.01
mkl_blas_dgemvlibmkl_sequential.so.20.010.01
mkl_blas_avx512_d_generic_fullacopybcopylibmkl_avx512.so.20.010.01
gomp_barrier_wait_endlibgomp.so.1.0.00.010.01
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)libqmcparticle.so0.010.01
gomp_ialias_omp_get_levellibgomp.so.1.0.00.010.01
miniqmcreference::DiracDeterminantRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)libqmcwfs.so0.010.01
qmcplusplus::RealSpacePositionsOMPTarget::getAllParticlePos() constlibqmcparticle.so0.010.01
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constlibqmcwfs.so0.010.01
qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)libqmcwfs.so0.010.01
qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)libqmcwfs.so0.010.01
qmcplusplus::TinyVector qmcplusplus::CrystalLattice::toUnit_floor(qmcplusplus::TinyVector const&) constlibqmcwfs.so0.010.01
mkl_blas_avx512_xdgemvlibmkl_avx512.so.200
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)libqmcparticle_omptarget.so00
qmcplusplus::ParticleSet::acceptMove(int)libqmcparticle.so00
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)libqmcwfs.so00
qmcplusplus::OneBodyJastrow >::evalGrad(qmcplusplus::ParticleSet&, int)libqmcwfs.so00
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