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Profiling node o405 - process 152934 - thread 152934

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+libqmcwfs.so23.126.84
Loop 687 - einspline_spo_ref.hpp:175-176 - libqmcwfs.so+23.0826.81
Loop 689 - MultiBsplineRef.hpp:63-71 - libqmcwfs.so+23.0826.81
Loop 688 - MultiBsplineRef.hpp:64-71 - libqmcwfs.so+23.0826.81
Loop 690 - MultiBsplineRef.hpp:68-71 - libqmcwfs.so23.0826.81
void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)+libqmcwfs.so21.0324.43
Loop 694 - MultiBsplineRef.hpp:226-262 - libqmcwfs.so+19.9823.21
Loop 693 - MultiBsplineRef.hpp:227-262 - libqmcwfs.so+19.9823.21
Loop 692 - MultiBsplineRef.hpp:239-262 - libqmcwfs.so19.9823.21
Loop 691 - MultiBsplineRef.hpp:276-286 - libqmcwfs.so1.021.19
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.212.4714.49
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.212.0413.98
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+libqmcparticle_omptarget.so8.359.7
Loop 479 - SoaDistanceTableABOMPTarget.h:214-228 - libqmcparticle_omptarget.so+8.329.66
Loop 478 - ParticleBConds3DSoa.h:280-298 - libqmcparticle_omptarget.so+8.329.66
Loop 480 - ParticleBConds3DSoa.h:280-298 - libqmcparticle_omptarget.so8.329.66
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)libqmcparticle_omptarget.so5.676.59
unknown_functionUnknown module2.623.04
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+libqmcwfs.so2.142.49
Loop 563 - TwoBodyJastrowRef.h:107-132 - libqmcwfs.so+2.112.46
Loop 564 - BsplineFunctor.h:232-260 - libqmcwfs.so+2.112.46
Loop 565 - BsplineFunctor.h:236-241 - libqmcwfs.so2.042.37
Loop 566 - BsplineFunctor.h:246-260 - libqmcwfs.so0.070.09
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+libqmcparticle_omptarget.so1.651.92
Loop 441 - ParticleBConds3DSoa.h:237-255 - libqmcparticle_omptarget.so1.651.92
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.441.67
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+libqmcwfs.so1.191.38
Loop 492 - TwoBodyJastrowRef.h:320-355 - libqmcwfs.so+0.710.82
Loop 494 - TwoBodyJastrowRef.h:342-347 - libqmcwfs.so0.710.82
Loop 495 - TwoBodyJastrowRef.h:324-331 - libqmcwfs.so0.460.53
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+libqmcwfs.so0.991.15
Loop 556 - TwoBodyJastrowRef.h:269-271 - libqmcwfs.so+0.460.53
Loop 557 - BsplineFunctor.h:291-298 - libqmcwfs.so0.370.43
Loop 559 - BsplineFunctor.h:305-336 - libqmcwfs.so0.080.09
Loop 558 - BsplineFunctor.h:305-336 - libqmcwfs.so0.010.01
Loop 553 - TwoBodyJastrow.h:150-157 - libqmcwfs.so+0.380.44
Loop 554 - TwoBodyJastrow.h:155-156 - libqmcwfs.so0.380.44
Loop 555 - stl_numeric.h:140-141 - libqmcwfs.so0.080.09
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.20.941.09
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+libqmcwfs.so0.810.94
Loop 695 - einspline_spo_ref.hpp:219-227 - libqmcwfs.so+0.810.94
Loop 696 - einspline_spo_ref.hpp:223-227 - libqmcwfs.so0.810.94
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.20.760.89
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+libqmcwfs.so0.650.76
Loop 741 - DiracDeterminantRef.cpp:173-178 - libqmcwfs.so+0.650.75
Loop 742 - OperatorTags.h:63-94 - libqmcwfs.so0.460.53
Loop 743 - inner_product.hpp:82-83 - libqmcwfs.so0.190.22
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+libqmcwfs.so0.430.5
Loop 746 - OperatorTags.h:63-94 - libqmcwfs.so0.430.5
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+libqmcwfs.so0.290.34
Loop 40 - SPOSet.h:83-88 - libqmcwfs.so+0.280.33
Loop 41 - inner_product.hpp:82-83 - libqmcwfs.so0.280.33
miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool)+libqmcwfs.so0.250.29
Loop 488 - TwoBodyJastrowRef.h:269-271 - libqmcwfs.so+0.220.26
Loop 489 - BsplineFunctor.h:291-298 - libqmcwfs.so0.190.22
Loop 491 - BsplineFunctor.h:305-336 - libqmcwfs.so0.030.04
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+libqmcwfs.so0.230.27
Loop 710 - inner_product.hpp:210-212 - libqmcwfs.so+0.230.27
Loop 711 - inner_product.hpp:211-212 - libqmcwfs.so0.230.27
qmcplusplus::SoaDistanceTableAAOMPTarget::evaluate(qmcplusplus::ParticleSet&)+libqmcparticle_omptarget.so0.220.26
Loop 257 - SoaDistanceTableAAOMPTarget.h:184-187 - libqmcparticle_omptarget.so+0.220.26
Loop 258 - ParticleBConds3DSoa.h:237-255 - libqmcparticle_omptarget.so0.220.26
mkl_lapack_xdlaswplibmkl_core.so.20.20.23
qmcplusplus::TimerType::stop()+libqmcutil.so0.190.22
Loop 39 - stl_tree.h:790-1953 - libqmcutil.so0.070.09
Loop 38 - stl_tree.h:790-1953 - libqmcutil.so0.020.03
Loop 40 - NewTimer.cpp:99-101 - libqmcutil.so0.010.01
unknown_kernel_regionkernel0.170.2
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.120.14
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+libqmcwfs.so0.110.13
Loop 441 - TwoBodyJastrowRef.h:423-431 - libqmcwfs.so1.651.92
Loop 451 - TwoBodyJastrowRef.h:254-398 - libqmcwfs.so+0.110.12
Loop 457 - TwoBodyJastrowRef.h:268-398 - libqmcwfs.so+0.10.11
Loop 456 - TwoBodyJastrowRef.h:377-383 - libqmcwfs.so+0.050.05
Loop 463 - TwoBodyJastrowRef.h:381-382 - libqmcwfs.so0.050.05
Loop 455 - TwoBodyJastrowRef.h:269-271 - libqmcwfs.so+0.020.03
Loop 466 - BsplineFunctor.h:291-298 - libqmcwfs.so0.020.03
Loop 465 - stl_numeric.h:140-141 - libqmcwfs.so0.010.01
Loop 460 - TwoBodyJastrowRef.h:361-398 - libqmcwfs.so+0.010.01
Loop 461 - TwoBodyJastrowRef.h:397-398 - libqmcwfs.so0.010.01
Loop 462 - TwoBodyJastrowRef.h:388-391 - 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
qmcplusplus::TinyVector qmcplusplus::simd::dot(double const*, qmcplusplus::TinyVector const*, int)+libqmcwfs.so0.110.12
Loop 672 - inner_product.hpp:155-155 - libqmcwfs.so0.110.12
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+libqmcwfs.so0.10.12
Loop 747 - DiracDeterminantRef.cpp:247-252 - libqmcwfs.so+0.10.12
Loop 749 - OperatorTags.h:63-94 - libqmcwfs.so0.070.08
Loop 748 - inner_product.hpp:82-83 - libqmcwfs.so0.030.04
MPL_gpu_cuda_finalizelibmpi.so.12.0.00.10.11
__GI___pthread_mutex_locklibpthread-2.28.so0.090.11
main._omp_fn.1+exec0.090.11
Loop 39 - - exec0.070.09
Loop 32 - - exec+0.050.06
Loop 41 - - exec+0.040.05
Loop 38 - - exec0.020.03
Loop 69 - - exec+0.020.02
Loop 74 - - exec0.020.02
Loop 40 - - exec0.010.01
gomp_ialias_omp_get_levellibgomp.so.1.0.00.090.11
unknown_function[vdso]0.090.1
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.080.09
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+libqmcwfs.so0.080.09
Loop 745 - inner_product.hpp:82-83 - libqmcwfs.so0.080.09
uct_ud_mlx5_iface_progresslibuct_ib.so.0.0.00.060.07
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+libqmcwfs.so0.060.07
Loop 653 - OneBodyJastrowRef.h:134-155 - libqmcwfs.so+0.050.05
Loop 655 - OneBodyJastrowRef.h:143-146 - libqmcwfs.so+0.050.05
Loop 656 - BsplineFunctor.h:236-241 - libqmcwfs.so0.050.05
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.060.06
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.050.06
MPIR_Progress_hook_exec_on_vcilibmpi.so.12.0.00.050.05
pthread_spin_locklibpthread-2.28.so0.050.05
__pthread_mutex_unlock_usercntlibpthread-2.28.so0.040.05
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+libqmcwfs.so0.030.04
Loop 605 - OneBodyJastrow.h:188-194 - libqmcwfs.so+0.010.01
Loop 607 - OneBodyJastrow.h:192-193 - libqmcwfs.so0.010.01
MPIDI_Progress_testlibmpi.so.12.0.00.030.04
qmcplusplus::TinyVector qmcplusplus::CrystalLattice::toUnit_floor(qmcplusplus::TinyVector const&) constlibqmcwfs.so0.030.04
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.030.03
uct_rc_mlx5_iface_progress_cycliclibuct_ib.so.0.0.00.030.03
qmcplusplus::TimerType::start()libqmcutil.so0.030.03
MPIDI_SHMI_progresslibmpi.so.12.0.00.020.03
ofi_cq_progresslibmlx-fi.so0.020.03
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)libqmcwfs.so0.020.03
qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+libqmcwfs.so0.020.03
Loop 205 - stl_vector.h:988-988 - libqmcwfs.so0.010.01
mkl_blas_avx512_xdgemvlibmkl_avx512.so.20.020.02
__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.6.0.310.020.02
__dynamic_castlibstdc++.so.6.0.310.020.02
f64xsubf128libm-2.28.so0.020.02
ucp_worker_progresslibucp.so.0.0.00.020.02
gomp_team_barrier_wait_endlibgomp.so.1.0.00.020.02
qmcplusplus::ParticleSet::update(bool)+libqmcparticle.so0.020.02
Loop 299 - stl_vector.h:988-988 - libqmcparticle.so0.010.01
qmcplusplus::Vector, std::allocator > >::resize(unsigned long, qmcplusplus::TinyVector)+libqmcwfs.so0.020.02
Loop 243 - stl_algobase.h:918-919 - libqmcwfs.so0.020.02
pthread_mutex_lock@pltlibmlx-fi.so0.020.02
MPIDI_OFI_get_bufferedlibmpi.so.12.0.00.010.01
MPID_Progress_waitlibmpi.so.12.0.00.010.01
ofi_cq_readfromlibmlx-fi.so0.010.01
qmcplusplus::Vector > >::resize(unsigned long, double) [clone .constprop.0]libqmcparticle_omptarget.so0.010.01
miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particl...+libqmcwfs.so0.010.01
Loop 619 - OneBodyJastrowRef.h:109-237 - libqmcwfs.so+0.010.01
Loop 618 - OneBodyJastrow.h:188-194 - libqmcwfs.so+0.010.01
Loop 620 - OneBodyJastrow.h:193-193 - libqmcwfs.so0.010.01
qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)libqmcwfs.so0.010.01
ucp_worker_progress@pltlibmlx-fi.so0.010.01
mkl_blas_avx512_xdgerlibmkl_avx512.so.20.010.01
inflate_fastlibmpi.so.12.0.00.010.01
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)+libqmcparticle_omptarget.so0.010.01
Loop 404 - stl_algo.h:731-757 - libqmcparticle_omptarget.so0.010.01
qmcplusplus::ParticleSet::acceptMove(int)libqmcparticle.so0.010.01
gomp_ialias_omp_get_ancestor_thread_numlibgomp.so.1.0.00.010.01
void qmcplusplus::DelayedUpdate::acceptRow > >(qmcplusplus::Matrix >&, int, qmcplusplus::Vector > const&)libqmcwfs.so0.010.01
qmcplusplus::RealSpacePositions::setAllParticlePos(qmcplusplus::ParticleAttrib, std::allocator > > const&)libqmcparticle.so0.010.01
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)libqmcwfs.so0.010.01
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constlibqmcwfs.so0.010.01
mlx_ep_progresslibmlx-fi.so0.010.01
spline2::MultiBsplineData::compute_prefactors(double*, double*, double*, double)libqmcwfs.so0.010.01
.plt.sec@startlibuct_ib.so.0.0.00.010.01
gomp_barrier_wait_endlibgomp.so.1.0.000
qmcplusplus::OneBodyJastrow >::evalGrad(qmcplusplus::ParticleSet&, int)libqmcwfs.so00
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)libqmcparticle_omptarget.so00
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