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Profiling node ip-172-31-68-94 - process 499489 - thread 499995

NameModuleCoverage (%)Time (s)
mkl_blas_def_dgemm_pstlibmkl_def.so.226.2747.23
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+libqmcwfs.so26.0646.85
Loop 821 - MultiBsplineRef.hpp:42-71 - libqmcwfs.so+25.9946.71
Loop 822 - MultiBsplineRef.hpp:63-71 - libqmcwfs.so+25.9946.71
Loop 826 - MultiBsplineRef.hpp:68-70 - libqmcwfs.so6.5411.75
Loop 824 - MultiBsplineRef.hpp:68-70 - libqmcwfs.so6.511.68
Loop 823 - MultiBsplineRef.hpp:68-70 - libqmcwfs.so6.511.68
Loop 825 - MultiBsplineRef.hpp:68-70 - libqmcwfs.so6.4511.6
Loop 820 - einspline_spo_ref.hpp:183-187 - libqmcwfs.so0.010.01
mkl_blas_def_dgemm_kernel_zenlibmkl_def.so.215.7528.31
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+libqmcwfs.so8.1814.7
Loop 837 - MultiBsplineRef.hpp:187-286 - libqmcwfs.so+7.7613.93
Loop 841 - MultiBsplineRef.hpp:226-262 - libqmcwfs.so+7.5813.62
Loop 842 - MultiBsplineRef.hpp:227-262 - libqmcwfs.so+7.5813.62
Loop 844 - MultiBsplineRef.hpp:242-262 - libqmcwfs.so7.5813.62
Loop 839 - MultiBsplineRef.hpp:276-286 - libqmcwfs.so0.180.31
Loop 835 - einspline_spo_ref.hpp:219-227 - libqmcwfs.so+0.410.74
Loop 836 - einspline_spo_ref.hpp:223-227 - libqmcwfs.so0.410.74
mkl_blas_def_dgemm_copybn_bdzlibmkl_def.so.28.1614.66
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+libqmcparticle_omptarget.so4.067.3
Loop 453 - SoaDistanceTableABOMPTarget.h:214-228 - libqmcparticle_omptarget.so+3.977.13
Loop 454 - SoaDistanceTableABOMPTarget.h:215-228 - libqmcparticle_omptarget.so+3.977.13
Loop 456 - ParticleBConds3DSoa.h:280-298 - libqmcparticle_omptarget.so3.947.09
Loop 455 - SoaDistanceTableABOMPTarget.h:228-228 - libqmcparticle_omptarget.so0.030.04
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+libqmcparticle_omptarget.so1.973.54
Loop 204 - SoaDistanceTableAAOMPTarget.h:440-442 - libqmcparticle_omptarget.so1.973.54
qmcplusplus::BsplineFunctor::evaluateV(int, int, int, double const*, double*) const+libqmcwfs.so1.632.94
Loop 449 - BsplineFunctor.h:236-241 - libqmcwfs.so1.572.82
Loop 447 - BsplineFunctor.h:246-260 - libqmcwfs.so0.030.04
Loop 448 - BsplineFunctor.h:246-260 - libqmcwfs.so0.010.01
__nss_database_lookuplibc.so.61.11.97
mkl_blas_def_dgemm_copyan_bdzlibmkl_def.so.20.861.55
mkl_blas_def_xdgemvlibmkl_def.so.20.71.25
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+libqmcparticle_omptarget.so0.61.07
Loop 219 - ParticleBConds3DSoa.h:234-255 - libqmcparticle_omptarget.so0.61.07
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+libqmcwfs.so0.571.02
Loop 913 - OhmmsVector.h:223-223 - libqmcwfs.so+0.561.01
Loop 915 - inner_product.hpp:155-155 - libqmcwfs.so0.350.63
Loop 914 - inner_product.hpp:82-83 - libqmcwfs.so0.210.38
__kmp_hardware_timestamplibomp.so0.550.99
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+libqmcwfs.so0.480.85
Loop 638 - TwoBodyJastrowRef.h:324-331 - libqmcwfs.so0.150.27
Loop 635 - TwoBodyJastrowRef.h:342-347 - libqmcwfs.so0.130.22
Loop 631 - TwoBodyJastrowRef.h:342-347 - libqmcwfs.so0.110.19
Loop 633 - TwoBodyJastrowRef.h:342-347 - libqmcwfs.so0.090.16
__kmp_hyper_barrier_release(barrier_type, kmp_info*, int, int, int, void*)libomp.so0.390.7
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+libqmcwfs.so0.290.53
Loop 450 - BsplineFunctor.h:302-336 - libqmcwfs.so0.030.05
Loop 453 - BsplineFunctor.h:291-298 - libqmcwfs.so0.010.02
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+libqmcwfs.so0.290.52
Loop 901 - inner_product.hpp:155-155 - libqmcwfs.so0.280.51
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+libqmcwfs.so0.280.51
Loop 7 - inner_product.hpp:82-83 - libqmcwfs.so+0.260.46
Loop 8 - inner_product.hpp:82-83 - libqmcwfs.so0.260.46
__kmp_hyper_barrier_gather(barrier_type, kmp_info*, int, int, void (*)(void*, void*), void*)libomp.so0.230.42
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+libqmcwfs.so0.180.32
Loop 891 - inner_product.hpp:210-212 - libqmcwfs.so+0.180.32
Loop 892 - inner_product.hpp:211-212 - libqmcwfs.so0.180.32
mkl_blas_def_dtrsm_ilibmkl_def.so.20.170.31
.omp_outlined..64+exec0.120.21
Loop 37 - new_allocator.h:111-145 - exec+0.020.02
Loop 42 - miniqmc.cpp:425-461 - exec+0.010.01
Loop 43 - miniqmc.cpp:429-458 - exec0.010.01
Loop 38 - NonLocalPP.hpp:122-135 - exec+0.010.01
Loop 39 - NonLocalPP.hpp:126-135 - exec+0.010.01
Loop 40 - NonLocalPP.hpp:131-132 - exec0.010.01
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+libqmcwfs.so0.110.2
Loop 615 - TwoBodyJastrowRef.h:155-156 - libqmcwfs.so0.040.07
Loop 617 - TwoBodyJastrowRef.h:155-156 - libqmcwfs.so0.020.04
Loop 616 - TwoBodyJastrowRef.h:155-156 - libqmcwfs.so0.020.04
Loop 625 - stl_numeric.h:141-141 - libqmcwfs.so0.010.01
mkl_blas_def_dtrsml2x2_llnlibmkl_def.so.20.090.16
mkl_blas_def_dtrmml2x2_lunlibmkl_def.so.20.090.16
mkl_blas_def_dgemm_mscalelibmkl_def.so.20.090.16
mkl_blas_def_dgemm_copyat_bdzlibmkl_def.so.20.060.11
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+libqmcwfs.so0.050.09
Loop 644 - TwoBodyJastrowRef.h:268-398 - libqmcwfs.so+0.040.06
Loop 645 - TwoBodyJastrowRef.h:268-398 - libqmcwfs.so+0.040.06
Loop 654 - TwoBodyJastrowRef.h:397-398 - libqmcwfs.so0.010.01
Loop 660 - TwoBodyJastrowRef.h:381-382 - libqmcwfs.so0.010.02
Loop 659 - TwoBodyJastrowRef.h:381-382 - libqmcwfs.so0.010.01
Loop 652 - TwoBodyJastrowRef.h:397-398 - libqmcwfs.so0.010.02
mkl_lapack_xdlaswplibmkl_core.so.20.050.08
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+libqmcwfs.so0.040.08
Loop 905 - inner_product.hpp:155-155 - libqmcwfs.so0.020.03
Loop 904 - inner_product.hpp:82-83 - libqmcwfs.so0.020.04
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+libqmcwfs.so0.040.07
Loop 894 - OhmmsMatrix.h:217-217 - libqmcwfs.so+0.040.07
Loop 895 - inner_product.hpp:155-155 - libqmcwfs.so0.030.05
Loop 896 - inner_product.hpp:82-83 - libqmcwfs.so0.010.02
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)libqmcwfs.so0.040.07
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+libqmcwfs.so0.030.06
Loop 674 - TwoBodyJastrowRef.h:107-132 - libqmcwfs.so+0.010.03
Loop 675 - TwoBodyJastrowRef.h:127-132 - libqmcwfs.so0.010.03
f64xsubf128libm.so.60.030.05
__kmp_api_omp_get_levellibomp.so0.030.05
qmcplusplus::Vector, std::allocator > >::resize(unsigned long, qmcplusplus::TinyVector)+libqmcwfs.so0.030.04
Loop 454 - stl_algobase.h:911-912 - libqmcwfs.so0.090.17
Loop 455 - stl_algobase.h:911-912 - libqmcwfs.so0.030.04
mkl_blas_def_xdswaplibmkl_def.so.20.020.03
qmcplusplus::ParticleSet::update(bool)libqmcparticle.so0.020.03
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)libqmcwfs.so0.020.03
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+libqmcwfs.so0.020.03
Loop 682 - OneBodyJastrowRef.h:192-193 - libqmcwfs.so0.010.01
Loop 683 - OneBodyJastrowRef.h:192-193 - libqmcwfs.so0.010.01
qmcplusplus::TimerType::start()libqmcutil.so0.020.03
__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.6.0.300.010.03
qmcplusplus::Vector >::resize(unsigned long, double)+libqmcwfs.so0.010.03
Loop 209 - stl_algobase.h:923-924 - libqmcwfs.so0.010.03
_dl_deallocate_tlsld-linux-x86-64.so.20.010.03
__libc_malloclibc.so.60.010.02
__tls_get_addrld-linux-x86-64.so.20.010.02
__sched_yieldlibc.so.60.010.01
__kmp_get_ancestor_thread_num.part.60libomp.so0.010.01
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)libqmcparticle_omptarget.so0.010.01
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...libqmcwfs.so0.010.01
qmcplusplus::RealSpacePositionsOMPTarget::getAllParticlePos() constlibqmcparticle.so0.010.01
miniqmcreference::TwoBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)libqmcwfs.so0.010.01
qmcplusplus::TimerType::stop()libqmcutil.so0.010.01
mkl_lapack_dgetrilibmkl_core.so.20.010.01
mkl_blas_def_xdscallibmkl_def.so.20.010.01
mkl_blas_def_xdgemm_bdzlibmkl_def.so.20.010.01
mkl_blas_def_dtrmv_inlibmkl_def.so.20.010.01
__dynamic_castlibstdc++.so.6.0.300.010.01
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)libqmcparticle_omptarget.so0.010.01
miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)libqmcwfs.so0.010.01
qmcplusplus::RealSpacePositions::setAllParticlePos(qmcplusplus::ParticleAttrib, std::allocator > > const&)libqmcparticle.so0.010.01
qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)libqmcparticle_omptarget.so0.010.01
qmcplusplus::Vector > >::resize(unsigned long, double)libqmcparticle_omptarget.so0.010.01
mkl_blas_def_xdaxpylibmkl_def.so.200
__libc_freelibc.so.600
miniqmcreference::DiracDeterminantRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)libqmcwfs.so00
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