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Profiling node o404 - process 478875 - thread 478902

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+libqmcwfs.so24.9720.81
Loop 673 - einspline_spo_ref.hpp:175-176 - libqmcwfs.so+24.9220.77
Loop 675 - MultiBsplineRef.hpp:63-71 - libqmcwfs.so+24.9220.77
Loop 674 - MultiBsplineRef.hpp:64-71 - libqmcwfs.so+24.9220.77
Loop 676 - MultiBsplineRef.hpp:68-71 - libqmcwfs.so24.9220.77
void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)+libqmcwfs.so21.8218.19
Loop 680 - MultiBsplineRef.hpp:226-262 - libqmcwfs.so+20.6617.23
Loop 679 - MultiBsplineRef.hpp:227-262 - libqmcwfs.so+20.6617.23
Loop 678 - MultiBsplineRef.hpp:239-262 - libqmcwfs.so20.6617.23
Loop 677 - MultiBsplineRef.hpp:276-286 - libqmcwfs.so1.10.92
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.211.379.48
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+libqmcparticle_omptarget.so11.119.27
Loop 439 - SoaDistanceTableABOMPTarget.h:214-228 - libqmcparticle_omptarget.so+11.119.26
Loop 438 - ParticleBConds3DSoa.h:280-298 - libqmcparticle_omptarget.so+11.119.26
Loop 440 - ParticleBConds3DSoa.h:280-298 - libqmcparticle_omptarget.so11.119.26
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.210.598.82
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+libqmcparticle_omptarget.so4.894.08
Loop 184 - SoaDistanceTableAAOMPTarget.h:440-442 - libqmcparticle_omptarget.so4.884.07
unknown_functionUnknown module2.472.06
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+libqmcwfs.so1.871.56
Loop 556 - TwoBodyJastrowRef.h:107-132 - libqmcwfs.so+1.821.52
Loop 557 - BsplineFunctor.h:232-260 - libqmcwfs.so+1.821.52
Loop 558 - BsplineFunctor.h:236-241 - libqmcwfs.so1.741.45
Loop 559 - BsplineFunctor.h:249-260 - libqmcwfs.so0.080.07
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+libqmcparticle_omptarget.so1.661.39
Loop 479 - ParticleBConds3DSoa.h:237-255 - libqmcparticle_omptarget.so1.661.39
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.221.02
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+libqmcwfs.so1.040.87
Loop 487 - TwoBodyJastrowRef.h:320-355 - libqmcwfs.so+0.650.54
Loop 489 - TwoBodyJastrowRef.h:344-347 - libqmcwfs.so0.650.54
Loop 490 - TwoBodyJastrowRef.h:324-331 - libqmcwfs.so0.350.29
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+libqmcwfs.so0.940.78
Loop 547 - TwoBodyJastrow.h:150-157 - libqmcwfs.so+0.470.39
Loop 548 - TwoBodyJastrow.h:155-156 - libqmcwfs.so0.470.39
Loop 550 - TwoBodyJastrowRef.h:269-271 - libqmcwfs.so+0.380.3
Loop 551 - BsplineFunctor.h:291-298 - libqmcwfs.so0.310.25
Loop 552 - BsplineFunctor.h:305-336 - libqmcwfs.so0.070.05
Loop 549 - stl_numeric.h:140-141 - libqmcwfs.so0.050.05
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.20.850.71
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+libqmcwfs.so0.850.71
Loop 681 - einspline_spo_ref.hpp:219-227 - libqmcwfs.so+0.820.69
Loop 682 - einspline_spo_ref.hpp:223-227 - libqmcwfs.so0.820.69
Loop 683 - einspline_spo_ref.hpp:206-207 - libqmcwfs.so0.010
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.20.660.55
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+libqmcwfs.so0.570.48
Loop 726 - DiracDeterminantRef.cpp:173-178 - libqmcwfs.so+0.570.47
Loop 727 - OperatorTags.h:63-94 - libqmcwfs.so0.320.27
Loop 728 - inner_product.hpp:82-83 - libqmcwfs.so0.250.2
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+libqmcwfs.so0.40.33
Loop 40 - SPOSet.h:83-88 - libqmcwfs.so+0.40.33
Loop 41 - inner_product.hpp:82-83 - libqmcwfs.so0.40.33
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+libqmcwfs.so0.380.32
Loop 731 - OperatorTags.h:63-94 - libqmcwfs.so0.370.31
unknown_kernel_regionkernel0.290.24
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+libqmcwfs.so0.250.2
Loop 696 - inner_product.hpp:210-212 - libqmcwfs.so+0.250.2
Loop 695 - inner_product.hpp:211-212 - libqmcwfs.so0.250.2
miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool)+libqmcwfs.so0.240.2
Loop 484 - TwoBodyJastrowRef.h:269-271 - libqmcwfs.so+0.230.2
Loop 485 - BsplineFunctor.h:291-298 - libqmcwfs.so0.180.15
Loop 486 - BsplineFunctor.h:305-336 - libqmcwfs.so0.050.05
qmcplusplus::TinyVector qmcplusplus::simd::dot(double const*, qmcplusplus::TinyVector const*, int)+libqmcwfs.so0.130.11
Loop 658 - inner_product.hpp:155-155 - libqmcwfs.so0.110.09
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+libqmcwfs.so0.130.1
Loop 440 - TwoBodyJastrowRef.h:423-431 - libqmcwfs.so11.119.26
Loop 450 - TwoBodyJastrowRef.h:254-398 - libqmcwfs.so+0.120.09
Loop 456 - TwoBodyJastrowRef.h:268-398 - libqmcwfs.so+0.120.09
Loop 454 - TwoBodyJastrowRef.h:269-271 - libqmcwfs.so+0.050.05
Loop 465 - BsplineFunctor.h:291-298 - libqmcwfs.so0.050.05
Loop 455 - TwoBodyJastrowRef.h:377-383 - libqmcwfs.so+0.050.04
Loop 462 - TwoBodyJastrowRef.h:381-382 - libqmcwfs.so0.050.04
Loop 461 - TwoBodyJastrowRef.h:388-391 - libqmcwfs.so0.010
Loop 459 - TwoBodyJastrowRef.h:361-398 - libqmcwfs.so+0.010
Loop 460 - TwoBodyJastrowRef.h:397-398 - libqmcwfs.so0.010
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.120.1
mkl_lapack_xdlaswplibmkl_core.so.20.120.1
qmcplusplus::SoaDistanceTableAAOMPTarget::evaluate(qmcplusplus::ParticleSet&)+libqmcparticle_omptarget.so0.10.08
Loop 260 - SoaDistanceTableAAOMPTarget.h:184-187 - libqmcparticle_omptarget.so+0.10.08
Loop 261 - ParticleBConds3DSoa.h:237-255 - libqmcparticle_omptarget.so0.10.08
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+libqmcwfs.so0.090.08
Loop 732 - DiracDeterminantRef.cpp:247-252 - libqmcwfs.so+0.090.08
Loop 734 - OperatorTags.h:63-94 - libqmcwfs.so0.060.05
Loop 733 - inner_product.hpp:82-83 - libqmcwfs.so0.030.03
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+libqmcwfs.so0.080.07
Loop 730 - inner_product.hpp:82-83 - libqmcwfs.so0.060.05
f64xsubf128libm-2.28.so0.070.06
main._omp_fn.1+exec0.070.06
Loop 38 - - exec+0.410.33
Loop 41 - - exec0.40.33
Loop 40 - - exec+0.010
Loop 70 - - exec+0.010
Loop 75 - - exec0.010
gomp_team_barrier_wait_endlibgomp.so.1.0.00.060.05
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+libqmcwfs.so0.050.05
Loop 639 - OneBodyJastrowRef.h:134-155 - libqmcwfs.so+0.050.04
Loop 641 - OneBodyJastrowRef.h:143-146 - libqmcwfs.so+0.050.04
Loop 642 - BsplineFunctor.h:236-241 - libqmcwfs.so0.050.04
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.040.04
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.040.04
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+libqmcwfs.so0.040.04
Loop 597 - OneBodyJastrow.h:188-194 - libqmcwfs.so+0.020.02
Loop 599 - OneBodyJastrow.h:192-193 - libqmcwfs.so0.020.02
__dynamic_castlibstdc++.so.6.0.310.030.03
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.020.02
miniqmcreference::DiracDeterminantRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)libqmcwfs.so0.020.02
qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+libqmcwfs.so0.020.02
Loop 206 - stl_vector.h:988-988 - libqmcwfs.so0.010
qmcplusplus::TimerType::start()libqmcutil.so0.020.02
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.020.01
__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.6.0.310.020.01
qmcplusplus::TimerType::stop()libqmcutil.so0.020.01
DGEMVlibmkl_intel_lp64.so.20.010.01
mkl_blas_dgemvlibmkl_sequential.so.20.010.01
mkl_blas_avx512_d_generic_fullacopybcopylibmkl_avx512.so.20.010.01
qmcplusplus::VirtualParticleSet::makeMoves(qmcplusplus::ParticleSet const&, int, std::vector, std::allocator > > const&, bool, int)libqmcparticle.so0.010.01
qmcplusplus::ParticleSet::update(bool)+libqmcparticle.so0.010.01
Loop 295 - stl_vector.h:988-988 - libqmcparticle.so0.010.01
miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particl...+libqmcwfs.so0.010.01
Loop 611 - OneBodyJastrowRef.h:109-237 - libqmcwfs.so+0.010.01
Loop 610 - OneBodyJastrow.h:188-194 - libqmcwfs.so+0.010.01
Loop 612 - OneBodyJastrow.h:193-193 - libqmcwfs.so0.010.01
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)+libqmcwfs.so0.010.01
Loop 596 - OneBodyJastrowRef.h:214-218 - libqmcwfs.so0.010.01
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constlibqmcwfs.so0.010.01
qmcplusplus::Vector, std::allocator > >::resize(unsigned long, qmcplusplus::TinyVector)+libqmcwfs.so0.010.01
Loop 244 - stl_algobase.h:918-919 - libqmcwfs.so0.010.01
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)libqmcwfs.so0.010.01
qmcplusplus::TinyVector qmcplusplus::CrystalLattice::toUnit_floor(qmcplusplus::TinyVector const&) constlibqmcwfs.so0.010.01
unknown_functionlibqmcwfs.so0.010.01
mkl_blas_xdgemvlibmkl_core.so.20.010
mkl_serv_deallocatelibmkl_core.so.20.010
mkl_blas_avx512_damaxlibmkl_avx512.so.20.010
mkl_blas_avx512_xdgemm_nocopy_driverlibmkl_avx512.so.20.010
operator delete(void*, unsigned long)libstdc++.so.6.0.310.010
mkl_blas_xdger@pltlibmkl_sequential.so.20.010
qmcplusplus::Vector > >::resize(unsigned long, double) [clone .constprop.0]libqmcparticle_omptarget.so0.010
gomp_barrier_wait_endlibgomp.so.1.0.00.010
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)libqmcparticle_omptarget.so0.010
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)libqmcparticle.so0.010
qmcplusplus::ParticleSet::getDistTableAA(int) constlibqmcparticle.so0.010
gomp_ialias_omp_get_ancestor_thread_numlibgomp.so.1.0.00.010
qmcplusplus::RealSpacePositions::setAllParticlePos(qmcplusplus::ParticleAttrib, std::allocator > > const&)libqmcparticle.so0.010
pthread_spin_locklibpthread-2.28.so0.010
unknown_functionexec0.010
mkl_blas_avx512_xdgerlibmkl_avx512.so.200
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)libqmcparticle_omptarget.so00
gomp_ialias_omp_get_levellibgomp.so.1.0.000
qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)libqmcparticle_omptarget.so00
void qmcplusplus::DelayedUpdate::acceptRow > >(qmcplusplus::Matrix >&, int, qmcplusplus::Vector > const&)libqmcwfs.so00
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