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Profiling node o405 - process 152934 - thread 153004

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+libqmcwfs.so22.5825.65
Loop 687 - einspline_spo_ref.hpp:175-176 - libqmcwfs.so+22.5625.63
Loop 689 - MultiBsplineRef.hpp:63-71 - libqmcwfs.so+22.5625.63
Loop 688 - MultiBsplineRef.hpp:64-71 - libqmcwfs.so+22.5625.63
Loop 690 - MultiBsplineRef.hpp:68-71 - libqmcwfs.so22.5625.63
void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)+libqmcwfs.so20.8423.67
Loop 694 - MultiBsplineRef.hpp:226-262 - libqmcwfs.so+19.8422.54
Loop 693 - MultiBsplineRef.hpp:227-262 - libqmcwfs.so+19.8422.54
Loop 692 - MultiBsplineRef.hpp:239-262 - libqmcwfs.so19.8422.54
Loop 691 - MultiBsplineRef.hpp:276-286 - libqmcwfs.so0.991.12
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.213.2115.01
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.213.1914.98
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+libqmcparticle_omptarget.so7.918.99
Loop 479 - SoaDistanceTableABOMPTarget.h:214-228 - libqmcparticle_omptarget.so+7.918.99
Loop 478 - ParticleBConds3DSoa.h:280-298 - libqmcparticle_omptarget.so+7.918.99
Loop 480 - ParticleBConds3DSoa.h:280-298 - libqmcparticle_omptarget.so7.918.99
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+libqmcparticle_omptarget.so6.277.12
Loop 226 - SoaDistanceTableAAOMPTarget.h:440-442 - libqmcparticle_omptarget.so6.277.12
unknown_functionUnknown module2.442.77
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+libqmcwfs.so1.731.96
Loop 563 - TwoBodyJastrowRef.h:107-132 - libqmcwfs.so+1.71.93
Loop 564 - BsplineFunctor.h:232-260 - libqmcwfs.so+1.71.93
Loop 565 - BsplineFunctor.h:236-241 - libqmcwfs.so1.651.88
Loop 566 - BsplineFunctor.h:246-260 - libqmcwfs.so0.050.05
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+libqmcparticle_omptarget.so1.631.85
Loop 441 - ParticleBConds3DSoa.h:237-255 - libqmcparticle_omptarget.so1.621.84
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.471.67
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+libqmcwfs.so1.141.3
Loop 492 - TwoBodyJastrowRef.h:320-355 - libqmcwfs.so+0.640.73
Loop 494 - TwoBodyJastrowRef.h:342-347 - libqmcwfs.so0.640.73
Loop 495 - TwoBodyJastrowRef.h:324-331 - libqmcwfs.so0.480.54
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+libqmcwfs.so0.961.1
Loop 695 - einspline_spo_ref.hpp:219-227 - libqmcwfs.so+0.951.08
Loop 696 - einspline_spo_ref.hpp:223-227 - libqmcwfs.so0.951.08
Loop 697 - einspline_spo_ref.hpp:206-207 - libqmcwfs.so0.010.01
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.20.961.09
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+libqmcwfs.so0.840.96
Loop 741 - DiracDeterminantRef.cpp:173-178 - libqmcwfs.so+0.830.95
Loop 742 - OperatorTags.h:63-94 - libqmcwfs.so0.560.64
Loop 743 - inner_product.hpp:82-83 - libqmcwfs.so0.270.31
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.20.780.89
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+libqmcwfs.so0.750.85
Loop 556 - TwoBodyJastrowRef.h:269-271 - libqmcwfs.so+0.320.35
Loop 557 - BsplineFunctor.h:291-298 - libqmcwfs.so0.270.3
Loop 559 - BsplineFunctor.h:305-336 - libqmcwfs.so0.050.05
Loop 553 - TwoBodyJastrow.h:150-157 - libqmcwfs.so+0.310.35
Loop 554 - TwoBodyJastrow.h:155-156 - libqmcwfs.so0.310.35
Loop 555 - stl_numeric.h:140-141 - libqmcwfs.so0.060.07
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+libqmcwfs.so0.440.5
Loop 746 - OperatorTags.h:63-94 - libqmcwfs.so0.440.5
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+libqmcwfs.so0.290.33
Loop 40 - SPOSet.h:83-88 - libqmcwfs.so+0.290.33
Loop 41 - inner_product.hpp:82-83 - libqmcwfs.so0.290.33
miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool)+libqmcwfs.so0.270.3
Loop 488 - TwoBodyJastrowRef.h:269-271 - libqmcwfs.so+0.240.27
Loop 489 - BsplineFunctor.h:291-298 - libqmcwfs.so0.230.26
Loop 491 - BsplineFunctor.h:305-336 - libqmcwfs.so0.010.01
qmcplusplus::SoaDistanceTableAAOMPTarget::evaluate(qmcplusplus::ParticleSet&)+libqmcparticle_omptarget.so0.240.27
Loop 257 - SoaDistanceTableAAOMPTarget.h:184-187 - libqmcparticle_omptarget.so+0.240.27
Loop 258 - ParticleBConds3DSoa.h:237-255 - libqmcparticle_omptarget.so0.240.27
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+libqmcwfs.so0.210.23
Loop 710 - inner_product.hpp:210-212 - libqmcwfs.so+0.210.23
Loop 711 - inner_product.hpp:211-212 - libqmcwfs.so0.210.23
mkl_lapack_xdlaswplibmkl_core.so.20.20.23
unknown_kernel_regionkernel0.180.21
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.170.2
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+libqmcwfs.so0.150.17
Loop 441 - TwoBodyJastrowRef.h:423-431 - libqmcwfs.so1.621.84
Loop 451 - TwoBodyJastrowRef.h:254-398 - libqmcwfs.so+0.130.16
Loop 457 - TwoBodyJastrowRef.h:268-398 - libqmcwfs.so+0.130.16
Loop 456 - TwoBodyJastrowRef.h:377-383 - libqmcwfs.so+0.070.09
Loop 463 - TwoBodyJastrowRef.h:381-382 - libqmcwfs.so0.070.09
Loop 455 - TwoBodyJastrowRef.h:269-271 - libqmcwfs.so+0.040.05
Loop 466 - BsplineFunctor.h:291-298 - libqmcwfs.so0.040.05
Loop 462 - TwoBodyJastrowRef.h:388-391 - libqmcwfs.so0.010.01
Loop 464 - TwoBodyJastrowRef.h:375-376 - libqmcwfs.so0.010.01
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+libqmcwfs.so0.140.16
Loop 747 - DiracDeterminantRef.cpp:247-252 - libqmcwfs.so+0.140.17
Loop 749 - OperatorTags.h:63-94 - libqmcwfs.so0.120.14
Loop 748 - inner_product.hpp:82-83 - libqmcwfs.so0.020.03
main._omp_fn.1+exec0.10.11
Loop 32 - - exec+0.020.02
Loop 41 - - exec+0.020.02
Loop 69 - - exec+0.020.02
Loop 74 - - exec0.020.02
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.10.11
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+libqmcwfs.so0.090.1
Loop 745 - inner_product.hpp:82-83 - libqmcwfs.so0.090.1
qmcplusplus::TinyVector qmcplusplus::simd::dot(double const*, qmcplusplus::TinyVector const*, int)+libqmcwfs.so0.080.1
Loop 672 - inner_product.hpp:155-155 - libqmcwfs.so0.080.1
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+libqmcwfs.so0.080.09
Loop 605 - OneBodyJastrow.h:188-194 - libqmcwfs.so+0.050.06
Loop 607 - OneBodyJastrow.h:192-193 - libqmcwfs.so0.050.06
Loop 606 - stl_numeric.h:140-141 - libqmcwfs.so0.020.02
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.060.07
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+libqmcwfs.so0.060.07
Loop 653 - OneBodyJastrowRef.h:134-155 - libqmcwfs.so+0.050.06
Loop 655 - OneBodyJastrowRef.h:143-146 - libqmcwfs.so+0.050.06
Loop 656 - BsplineFunctor.h:236-241 - libqmcwfs.so0.050.06
f64xsubf128libm-2.28.so0.050.06
gomp_team_barrier_wait_endlibgomp.so.1.0.00.040.05
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.030.03
qmcplusplus::Vector, std::allocator > >::resize(unsigned long, qmcplusplus::TinyVector)+libqmcwfs.so0.030.03
Loop 243 - stl_algobase.h:918-919 - libqmcwfs.so0.030.03
__dynamic_castlibstdc++.so.6.0.310.020.03
miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particl...+libqmcwfs.so0.020.03
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
qmcplusplus::TinyVector qmcplusplus::CrystalLattice::toUnit_floor(qmcplusplus::TinyVector const&) constlibqmcwfs.so0.020.03
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.020.02
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)+libqmcwfs.so0.020.02
Loop 603 - OneBodyJastrowRef.h:214-218 - libqmcwfs.so+0.020.02
Loop 604 - OneBodyJastrowRef.h:214-216 - libqmcwfs.so0.020.02
qmcplusplus::TimerType::start()libqmcutil.so0.020.02
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)libqmcparticle_omptarget.so0.010.01
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)libqmcwfs.so0.010.01
mkl_blas_avx512_d_generic_fullacopybcopylibmkl_avx512.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
qmcplusplus::ParticleSet::update(bool)+libqmcparticle.so0.010.01
Loop 299 - stl_vector.h:988-988 - libqmcparticle.so0.010.01
qmcplusplus::ParticleSet::getDistTableAB(int) constlibqmcparticle.so0.010.01
qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)libqmcparticle_omptarget.so0.010.01
qmcplusplus::TimerType::stop()libqmcutil.so0.010.01
mkl_blas_avx512_xdgerlibmkl_avx512.so.200.01
mkl_blas_avx512_xdgemvlibmkl_avx512.so.200.01
__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.6.0.3100.01
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)libqmcparticle_omptarget.so00.01
gomp_barrier_wait_endlibgomp.so.1.0.000.01
qmcplusplus::ParticleSet::acceptMove(int)libqmcparticle.so00.01
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)libqmcparticle.so00.01
gomp_ialias_omp_get_levellibgomp.so.1.0.000.01
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constlibqmcwfs.so00.01
qmcplusplus::OneBodyJastrow >::evalGrad(qmcplusplus::ParticleSet&, int)libqmcwfs.so00.01
qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)libqmcwfs.so00
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