options

Profiling node ip-172-31-68-94 - process 509594 - thread 509594

NameModuleCoverage (%)Time (s)
mkl_blas_def_dgemm_kernel_zenlibmkl_def.so.228.1311.74
mkl_blas_def_dgemm_pstlibmkl_def.so.218.127.56
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+libqmcwfs.so14.696.13
Loop 821 - MultiBsplineRef.hpp:42-71 - libqmcwfs.so+14.666.12
Loop 822 - MultiBsplineRef.hpp:63-71 - libqmcwfs.so+14.666.12
Loop 825 - MultiBsplineRef.hpp:68-70 - libqmcwfs.so3.861.61
Loop 823 - MultiBsplineRef.hpp:68-70 - libqmcwfs.so3.831.6
Loop 826 - MultiBsplineRef.hpp:68-70 - libqmcwfs.so3.581.5
Loop 824 - MultiBsplineRef.hpp:68-70 - libqmcwfs.so3.391.41
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+libqmcwfs.so14.375.99
Loop 837 - MultiBsplineRef.hpp:187-286 - libqmcwfs.so+13.625.69
Loop 841 - MultiBsplineRef.hpp:226-262 - libqmcwfs.so+13.185.5
Loop 842 - MultiBsplineRef.hpp:227-262 - libqmcwfs.so+13.185.5
Loop 844 - MultiBsplineRef.hpp:242-262 - libqmcwfs.so13.185.5
Loop 839 - MultiBsplineRef.hpp:276-286 - libqmcwfs.so0.440.19
Loop 835 - einspline_spo_ref.hpp:219-227 - libqmcwfs.so+0.730.31
Loop 836 - einspline_spo_ref.hpp:223-227 - libqmcwfs.so0.730.31
mkl_blas_def_dgemm_copybn_bdzlibmkl_def.so.26.892.88
mkl_blas_def_dgemm_copyan_bdzlibmkl_def.so.22.340.97
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+libqmcparticle_omptarget.so2.310.96
Loop 453 - SoaDistanceTableABOMPTarget.h:214-228 - libqmcparticle_omptarget.so+2.360.98
Loop 454 - SoaDistanceTableABOMPTarget.h:215-228 - libqmcparticle_omptarget.so+2.360.98
Loop 456 - ParticleBConds3DSoa.h:280-298 - libqmcparticle_omptarget.so2.260.94
Loop 455 - SoaDistanceTableABOMPTarget.h:228-228 - libqmcparticle_omptarget.so0.10.04
Loop 459 - SoaDistanceTableABOMPTarget.h:194-196 - libqmcparticle_omptarget.so0.010
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+libqmcparticle_omptarget.so2.20.92
Loop 204 - SoaDistanceTableAAOMPTarget.h:440-442 - libqmcparticle_omptarget.so2.20.92
mkl_blas_def_xdgemvlibmkl_def.so.21.410.59
qmcplusplus::BsplineFunctor::evaluateV(int, int, int, double const*, double*) const+libqmcwfs.so1.320.55
Loop 449 - BsplineFunctor.h:236-241 - libqmcwfs.so1.20.5
Loop 447 - BsplineFunctor.h:246-260 - libqmcwfs.so0.080.03
Loop 448 - BsplineFunctor.h:246-260 - libqmcwfs.so0.020.01
__nss_database_lookuplibc.so.61.260.52
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+libqmcparticle_omptarget.so1.070.44
Loop 219 - ParticleBConds3DSoa.h:234-255 - libqmcparticle_omptarget.so1.070.44
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+libqmcwfs.so0.730.3
Loop 913 - OhmmsVector.h:223-223 - libqmcwfs.so+0.730.31
Loop 915 - inner_product.hpp:155-155 - libqmcwfs.so0.560.24
Loop 914 - inner_product.hpp:82-83 - libqmcwfs.so0.170.07
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+libqmcwfs.so0.690.29
Loop 901 - inner_product.hpp:155-155 - libqmcwfs.so0.690.29
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+libqmcwfs.so0.680.28
Loop 453 - BsplineFunctor.h:291-298 - libqmcwfs.so0.540.22
Loop 450 - BsplineFunctor.h:302-336 - libqmcwfs.so0.110.04
Loop 451 - BsplineFunctor.h:302-336 - libqmcwfs.so0.010
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+libqmcwfs.so0.560.24
Loop 631 - TwoBodyJastrowRef.h:342-347 - libqmcwfs.so0.20.09
Loop 638 - TwoBodyJastrowRef.h:324-331 - libqmcwfs.so0.160.07
Loop 633 - TwoBodyJastrowRef.h:342-347 - libqmcwfs.so0.110.04
Loop 635 - TwoBodyJastrowRef.h:342-347 - libqmcwfs.so0.080.03
mkl_blas_def_dtrsm_ilibmkl_def.so.20.430.18
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+libqmcwfs.so0.320.13
Loop 891 - inner_product.hpp:210-212 - libqmcwfs.so+0.320.13
Loop 892 - inner_product.hpp:211-212 - libqmcwfs.so0.320.13
mkl_blas_def_dtrsml2x2_llnlibmkl_def.so.20.240.1
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+libqmcwfs.so0.240.1
Loop 617 - TwoBodyJastrowRef.h:155-156 - libqmcwfs.so0.120.05
Loop 615 - TwoBodyJastrowRef.h:155-156 - libqmcwfs.so0.070.03
Loop 625 - stl_numeric.h:141-141 - libqmcwfs.so0.020.01
Loop 616 - TwoBodyJastrowRef.h:155-156 - libqmcwfs.so0.020.01
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+libqmcwfs.so0.170.07
Loop 7 - inner_product.hpp:82-83 - libqmcwfs.so+0.160.06
Loop 8 - inner_product.hpp:82-83 - libqmcwfs.so0.160.06
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+libqmcwfs.so0.170.07
Loop 894 - OhmmsMatrix.h:217-217 - libqmcwfs.so+0.160.07
Loop 895 - inner_product.hpp:155-155 - libqmcwfs.so0.140.06
Loop 896 - inner_product.hpp:82-83 - libqmcwfs.so0.020.01
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+libqmcwfs.so0.170.07
Loop 644 - TwoBodyJastrowRef.h:268-398 - libqmcwfs.so+0.150.05
Loop 645 - TwoBodyJastrowRef.h:268-398 - libqmcwfs.so+0.150.05
Loop 659 - TwoBodyJastrowRef.h:381-382 - libqmcwfs.so0.050.02
Loop 660 - TwoBodyJastrowRef.h:381-382 - libqmcwfs.so0.040.01
Loop 654 - TwoBodyJastrowRef.h:397-398 - libqmcwfs.so0.020.01
Loop 656 - TwoBodyJastrowRef.h:388-391 - libqmcwfs.so0.020.01
Loop 671 - stl_numeric.h:141-141 - libqmcwfs.so0.010
Loop 662 - TwoBodyJastrowRef.h:381-382 - libqmcwfs.so0.010
.omp_outlined..11+libqmcwfs.so0.140.06
Loop 97 - BsplineAllocator.hpp:172-180 - libqmcwfs.so+0.140.06
Loop 99 - BsplineAllocator.hpp:179-180 - libqmcwfs.so0.140.06
mkl_blas_def_dtrmml2x2_lunlibmkl_def.so.20.120.05
mkl_lapack_xdlaswplibmkl_core.so.20.110.04
.omp_outlined..64+exec0.110.04
Loop 37 - new_allocator.h:111-145 - exec+0.010
Loop 38 - NonLocalPP.hpp:122-135 - exec+0.010
Loop 39 - NonLocalPP.hpp:126-135 - exec+0.010
Loop 40 - NonLocalPP.hpp:131-132 - exec0.010
qmcplusplus::Vector, std::allocator > >::resize(unsigned long, qmcplusplus::TinyVector)+libqmcwfs.so0.10.04
Loop 455 - stl_algobase.h:911-912 - libqmcwfs.so0.10.04
Loop 454 - stl_algobase.h:911-912 - libqmcwfs.so0.040.01
qmcplusplus::TimerType::stop()+libqmcutil.so0.080.03
Loop 2 - NewTimer.h:119-121 - libqmcutil.so0.040.01
Loop 1 - NewTimer.h:119-121 - libqmcutil.so0.010
mkl_blas_def_dgemm_copyat_bdzlibmkl_def.so.20.060.02
mkl_blas_def_dgemm_mscalelibmkl_def.so.20.060.02
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+libqmcwfs.so0.060.02
Loop 904 - inner_product.hpp:82-83 - libqmcwfs.so0.040.01
Loop 905 - inner_product.hpp:155-155 - libqmcwfs.so0.010
qmcplusplus::Vector >::resize(unsigned long, double)+libqmcwfs.so0.060.02
Loop 209 - stl_algobase.h:923-924 - libqmcwfs.so0.060.02
unknown_function[vdso]0.060.02
mkl_blas_def_xdswaplibmkl_def.so.20.040.01
qmcplusplus::WaveFunction::acceptMove(qmcplusplus::ParticleSet&, int)+libqmcwfs.so0.040.01
Loop 741 - WaveFunction.cpp:225-228 - libqmcwfs.so0.020.01
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+libqmcwfs.so0.040.01
Loop 715 - OneBodyJastrowRef.h:109-194 - libqmcwfs.so+0.020
Loop 718 - OneBodyJastrowRef.h:192-193 - libqmcwfs.so0.010
Loop 717 - OneBodyJastrowRef.h:192-193 - libqmcwfs.so0.010
qmcplusplus::TimerType::start()libqmcutil.so0.040.01
__kmp_api_omp_get_levellibomp.so0.020.01
f64xsubf128libm.so.60.020.01
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+libqmcwfs.so0.020.01
Loop 682 - OneBodyJastrowRef.h:192-193 - libqmcwfs.so0.010
Loop 683 - OneBodyJastrowRef.h:192-193 - libqmcwfs.so0.010
_dl_deallocate_tlsld-linux-x86-64.so.20.020.01
mkl_blas_dgemvlibmkl_sequential.so.20.010
mkl_serv_set_xerbla_interfacelibmkl_sequential.so.20.010
mkl_blas_xdgemvlibmkl_core.so.20.010
mkl_serv_allocatelibmkl_core.so.20.010
DGEMVlibmkl_intel_lp64.so.20.010
mkl_blas_def_xdscallibmkl_def.so.20.010
mkl_blas_def_xdtrsmlibmkl_def.so.20.010
std::chrono::_V2::system_clock::now()libstdc++.so.6.0.300.010
__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.6.0.300.010
__dynamic_castlibstdc++.so.6.0.300.010
__kmp_get_ancestor_thread_num.part.60libomp.so0.010
void qmcplusplus::DelayedUpdate::getInvRow > >(qmcplusplus::Matrix > const&, int, qmcplusplus::Vector >&)libqmcwfs.so0.010
qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+libqmcwfs.so0.010
Loop 739 - WaveFunction.cpp:198-201 - libqmcwfs.so0.010
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)libqmcwfs.so0.010
qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)libqmcparticle_omptarget.so0.010
qmcplusplus::build_ions(qmcplusplus::Tensor const&, bool)libqmcparticle.so0.010
qmcplusplus::TimerManager >::pop_timer(qmcplusplus::TimerType*)libqmcutil.so0.010
qmcplusplus::Vector > >::resize(unsigned long, double)libqmcparticle_omptarget.so0.010
qmcplusplus::TimerManager >::initializeTimer(qmcplusplus::TimerType&)libqmcutil.so0.010
__tls_get_addrld-linux-x86-64.so.20.010
_dl_mcountld-linux-x86-64.so.20.010
_dl_rtld_di_serinfold-linux-x86-64.so.20.010
qmcplusplus::BlasThreadingEnv::~BlasThreadingEnv()libplatform_cpu_LA.so0.010
unknown_functionlibmpi.so.40.40.00.010
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