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Profiling node o405 - process 152934 - thread 153125

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+libqmcwfs.so24.4228.21
Loop 687 - einspline_spo_ref.hpp:175-176 - libqmcwfs.so+24.428.18
Loop 689 - MultiBsplineRef.hpp:63-71 - libqmcwfs.so+24.428.18
Loop 688 - MultiBsplineRef.hpp:64-71 - libqmcwfs.so+24.428.18
Loop 690 - MultiBsplineRef.hpp:68-71 - libqmcwfs.so24.428.18
void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)+libqmcwfs.so19.9122.99
Loop 694 - MultiBsplineRef.hpp:226-262 - libqmcwfs.so+18.8121.73
Loop 693 - MultiBsplineRef.hpp:227-262 - libqmcwfs.so+18.8121.73
Loop 692 - MultiBsplineRef.hpp:239-262 - libqmcwfs.so18.8121.73
Loop 691 - MultiBsplineRef.hpp:276-286 - libqmcwfs.so1.081.24
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.212.6814.65
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.212.6314.59
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+libqmcparticle_omptarget.so9.0110.41
Loop 479 - SoaDistanceTableABOMPTarget.h:214-228 - libqmcparticle_omptarget.so+8.9910.38
Loop 478 - ParticleBConds3DSoa.h:280-298 - libqmcparticle_omptarget.so+8.9910.38
Loop 480 - ParticleBConds3DSoa.h:280-298 - libqmcparticle_omptarget.so8.9910.38
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+libqmcparticle_omptarget.so5.396.23
Loop 226 - SoaDistanceTableAAOMPTarget.h:440-442 - libqmcparticle_omptarget.so5.396.23
unknown_functionUnknown module2.743.16
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+libqmcwfs.so1.852.14
Loop 563 - TwoBodyJastrowRef.h:107-132 - libqmcwfs.so+1.812.09
Loop 564 - BsplineFunctor.h:232-260 - libqmcwfs.so+1.812.09
Loop 565 - BsplineFunctor.h:236-241 - libqmcwfs.so1.691.95
Loop 566 - BsplineFunctor.h:246-260 - libqmcwfs.so0.120.14
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+libqmcparticle_omptarget.so1.742.01
Loop 441 - ParticleBConds3DSoa.h:237-255 - libqmcparticle_omptarget.so1.742.01
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.321.53
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+libqmcwfs.so0.931.08
Loop 492 - TwoBodyJastrowRef.h:320-355 - libqmcwfs.so+0.630.73
Loop 494 - TwoBodyJastrowRef.h:342-347 - libqmcwfs.so0.630.73
Loop 495 - TwoBodyJastrowRef.h:324-331 - libqmcwfs.so0.280.32
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.20.91.03
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.20.871
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+libqmcwfs.so0.840.97
Loop 695 - einspline_spo_ref.hpp:219-227 - libqmcwfs.so+0.830.95
Loop 696 - einspline_spo_ref.hpp:223-227 - libqmcwfs.so0.830.95
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+libqmcwfs.so0.810.93
Loop 556 - TwoBodyJastrowRef.h:269-271 - libqmcwfs.so+0.370.43
Loop 557 - BsplineFunctor.h:291-298 - libqmcwfs.so0.330.38
Loop 559 - BsplineFunctor.h:305-336 - libqmcwfs.so0.030.04
Loop 558 - BsplineFunctor.h:305-336 - libqmcwfs.so0.010.01
Loop 553 - TwoBodyJastrow.h:150-157 - libqmcwfs.so+0.30.35
Loop 554 - TwoBodyJastrow.h:155-156 - libqmcwfs.so0.30.35
Loop 555 - stl_numeric.h:140-141 - libqmcwfs.so0.060.07
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+libqmcwfs.so0.590.68
Loop 741 - DiracDeterminantRef.cpp:173-178 - libqmcwfs.so+0.590.68
Loop 742 - OperatorTags.h:63-94 - libqmcwfs.so0.350.4
Loop 743 - inner_product.hpp:82-83 - libqmcwfs.so0.240.28
qmcplusplus::SoaDistanceTableAAOMPTarget::evaluate(qmcplusplus::ParticleSet&)+libqmcparticle_omptarget.so0.380.43
Loop 257 - SoaDistanceTableAAOMPTarget.h:184-187 - libqmcparticle_omptarget.so+0.370.42
Loop 258 - ParticleBConds3DSoa.h:237-255 - libqmcparticle_omptarget.so0.370.42
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+libqmcwfs.so0.350.41
Loop 746 - OperatorTags.h:63-94 - libqmcwfs.so0.350.4
miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool)+libqmcwfs.so0.270.31
Loop 488 - TwoBodyJastrowRef.h:269-271 - libqmcwfs.so+0.250.3
Loop 489 - BsplineFunctor.h:291-298 - libqmcwfs.so0.220.26
Loop 491 - BsplineFunctor.h:305-336 - libqmcwfs.so0.030.04
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+libqmcwfs.so0.260.3
Loop 40 - SPOSet.h:83-88 - libqmcwfs.so+0.260.29
Loop 41 - inner_product.hpp:82-83 - libqmcwfs.so0.260.29
unknown_kernel_regionkernel0.240.28
mkl_lapack_xdlaswplibmkl_core.so.20.220.25
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+libqmcwfs.so0.20.23
Loop 710 - inner_product.hpp:210-212 - libqmcwfs.so+0.20.23
Loop 711 - inner_product.hpp:211-212 - libqmcwfs.so0.20.23
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.160.19
qmcplusplus::TinyVector qmcplusplus::simd::dot(double const*, qmcplusplus::TinyVector const*, int)+libqmcwfs.so0.130.16
Loop 672 - inner_product.hpp:155-155 - libqmcwfs.so0.130.16
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+libqmcwfs.so0.130.15
Loop 441 - TwoBodyJastrowRef.h:423-431 - libqmcwfs.so1.742.01
Loop 451 - TwoBodyJastrowRef.h:254-398 - libqmcwfs.so+0.130.15
Loop 457 - TwoBodyJastrowRef.h:268-398 - libqmcwfs.so+0.120.14
Loop 456 - TwoBodyJastrowRef.h:377-383 - libqmcwfs.so+0.090.11
Loop 463 - TwoBodyJastrowRef.h:381-382 - libqmcwfs.so0.090.11
Loop 455 - TwoBodyJastrowRef.h:269-271 - libqmcwfs.so+0.020.02
Loop 466 - BsplineFunctor.h:291-298 - libqmcwfs.so0.020.02
Loop 460 - TwoBodyJastrowRef.h:361-398 - libqmcwfs.so+0.010.01
Loop 461 - TwoBodyJastrowRef.h:397-398 - libqmcwfs.so0.010.01
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
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+libqmcwfs.so0.130.14
Loop 747 - DiracDeterminantRef.cpp:247-252 - libqmcwfs.so+0.130.15
Loop 749 - OperatorTags.h:63-94 - libqmcwfs.so0.10.12
Loop 748 - inner_product.hpp:82-83 - libqmcwfs.so0.030.03
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.10.12
main._omp_fn.1+exec0.090.1
Loop 32 - - exec+0.020.03
Loop 41 - - exec+0.020.03
Loop 69 - - exec+0.020.03
Loop 74 - - exec0.020.03
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.080.09
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+libqmcwfs.so0.060.07
Loop 745 - inner_product.hpp:82-83 - libqmcwfs.so0.060.07
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+libqmcwfs.so0.060.07
Loop 605 - OneBodyJastrow.h:188-194 - libqmcwfs.so+0.050.05
Loop 607 - OneBodyJastrow.h:192-193 - libqmcwfs.so0.050.05
Loop 608 - OneBodyJastrow.h:186-187 - libqmcwfs.so0.010.01
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+libqmcwfs.so0.060.06
Loop 653 - OneBodyJastrowRef.h:134-155 - libqmcwfs.so+0.040.05
Loop 655 - OneBodyJastrowRef.h:143-146 - libqmcwfs.so+0.040.05
Loop 656 - BsplineFunctor.h:236-241 - libqmcwfs.so0.040.05
__dynamic_castlibstdc++.so.6.0.310.040.05
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.030.04
f64xsubf128libm-2.28.so0.030.03
gomp_team_barrier_wait_endlibgomp.so.1.0.00.030.03
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.020.03
qmcplusplus::TimerType::start()libqmcutil.so0.020.03
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)libqmcparticle_omptarget.so0.020.02
miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particl...+libqmcwfs.so0.020.02
Loop 619 - OneBodyJastrowRef.h:109-237 - libqmcwfs.so+0.020.02
Loop 618 - OneBodyJastrow.h:188-194 - libqmcwfs.so+0.020.02
Loop 620 - OneBodyJastrow.h:193-193 - libqmcwfs.so0.020.02
DGEMVlibmkl_intel_lp64.so.20.010.01
__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&) constlibstdc++.so.6.0.310.010.01
gomp_ialias_omp_get_levellibgomp.so.1.0.00.010.01
miniqmcreference::OneBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)libqmcwfs.so0.010.01
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)libqmcwfs.so0.010.01
qmcplusplus::TimerType::stop()libqmcutil.so0.010.01
mkl_blas_avx512_xdgemm_nocopy_driverlibmkl_avx512.so.20.010.01
mkl_blas_avx512_xdgerlibmkl_avx512.so.20.010.01
mkl_blas_avx512_xdgemvlibmkl_avx512.so.20.010.01
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)libqmcparticle_omptarget.so0.010.01
qmcplusplus::ParticleSet::update(bool)libqmcparticle.so0.010.01
qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)libqmcparticle_omptarget.so0.010.01
void qmcplusplus::DelayedUpdate::acceptRow > >(qmcplusplus::Matrix >&, int, qmcplusplus::Vector > const&)libqmcwfs.so0.010.01
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+libqmcwfs.so0.010.01
Loop 362 - BsplineFunctor.h:291-298 - libqmcwfs.so0.010.01
qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+libqmcwfs.so0.010.01
Loop 205 - stl_vector.h:988-988 - libqmcwfs.so0.010.01
__cxxabiv1::__si_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.6.0.3100
gomp_barrier_wait_endlibgomp.so.1.0.000
qmcplusplus::OneBodyJastrow >::evalGrad(qmcplusplus::ParticleSet&, int)libqmcwfs.so00
qmcplusplus::Vector, std::allocator > >::resize(unsigned long, qmcplusplus::TinyVector)libqmcwfs.so00
qmcplusplus::TinyVector qmcplusplus::CrystalLattice::toUnit_floor(qmcplusplus::TinyVector const&) constlibqmcwfs.so00
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