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Profiling node o401 - process 189700 - thread 189879

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec22.524.38
Loop 745 - MultiBsplineRef.hpp:42-71 - exec+22.4724.35
Loop 746 - MultiBsplineRef.hpp:63-71 - exec+22.4724.35
Loop 747 - MultiBsplineRef.hpp:64-71 - exec+22.4724.35
Loop 748 - MultiBsplineRef.hpp:68-70 - exec22.4724.35
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec17.8819.38
Loop 751 - MultiBsplineRef.hpp:187-286 - exec+16.217.54
Loop 754 - MultiBsplineRef.hpp:226-262 - exec+15.9417.26
Loop 755 - MultiBsplineRef.hpp:227-262 - exec+15.9417.26
Loop 760 - MultiBsplineRef.hpp:242-262 - exec+15.9417.26
Loop 762 - MultiBsplineRef.hpp:242-262 - exec9.9610.79
Loop 761 - MultiBsplineRef.hpp:242-261 - exec5.986.47
Loop 753 - MultiBsplineRef.hpp:276-286 - exec0.260.28
Loop 749 - einspline_spo_ref.hpp:219-227 - exec+0.730.8
Loop 750 - einspline_spo_ref.hpp:223-227 - exec0.730.8
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.214.2515.44
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.212.7613.83
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec8.28.89
Loop 1963 - SoaDistanceTableABOMPTarget.h:214-228 - exec+8.198.88
Loop 1965 - SoaDistanceTableABOMPTarget.h:215-228 - exec+8.198.88
Loop 1964 - SoaDistanceTableABOMPTarget.h:228-228 - exec8.198.88
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec6.757.31
Loop 1724 - SoaDistanceTableAAOMPTarget.h:440-442 - exec6.747.3
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec1.92.05
Loop 1227 - ParticleBConds3DSoa.h:235-256 - exec1.892.05
__intel_avx_rep_memset+exec1.892.05
Loop 2247 - - exec1.081.18
qmcplusplus::BsplineFunctor::evaluateV(int, int, int, double const*, double*) const+exec1.571.7
Loop 252 - BsplineFunctor.h:236-241 - exec1.431.55
Loop 250 - BsplineFunctor.h:246-260 - exec0.110.12
Loop 249 - BsplineFunctor.h:246-260 - exec0.010.02
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec1.281.39
Loop 273 - TwoBodyJastrowRef.h:324-349 - exec+0.931.01
Loop 275 - TwoBodyJastrowRef.h:342-347 - exec0.931.01
Loop 278 - TwoBodyJastrowRef.h:324-331 - exec0.330.36
kmp_flag_64::wait(kmp_info*, int, void*)libiomp5.so1.241.34
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.211.31
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.211.09
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.890.96
Loop 864 - inner_product.hpp:82-155 - exec+0.890.97
Loop 866 - inner_product.hpp:155-155 - exec0.60.65
Loop 868 - inner_product.hpp:82-83 - exec0.290.32
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.20.80.87
unknown_functionUnknown module0.70.75
pthread_spin_locklibpthread-2.28.so0.610.66
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.590.64
Loop 248 - BsplineFunctor.h:291-298 - exec0.490.53
Loop 246 - BsplineFunctor.h:303-338 - exec0.050.05
Loop 245 - BsplineFunctor.h:303-338 - exec0.010.01
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.540.58
Loop 267 - TwoBodyJastrowRef.h:155-156 - exec0.170.18
Loop 269 - TwoBodyJastrowRef.h:155-156 - exec0.150.16
Loop 265 - TwoBodyJastrowRef.h:155-156 - exec0.120.14
Loop 271 - stl_numeric.h:126-127 - exec0.070.07
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.440.48
Loop 853 - inner_product.hpp:155-155 - exec0.440.48
unknown_kernel_regionkernel0.440.48
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+exec0.330.36
Loop 763 - inner_product.hpp:82-83 - exec+0.330.36
Loop 765 - inner_product.hpp:82-83 - exec0.330.36
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.330.36
Loop 854 - inner_product.hpp:155-155 - exec0.240.27
Loop 857 - inner_product.hpp:82-83 - exec0.080.09
__intel_avx_rep_memcpyexec0.30.32
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.180.2
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.160.17
Loop 847 - inner_product.hpp:82-155 - exec+0.160.17
Loop 851 - inner_product.hpp:155-155 - exec0.120.13
Loop 849 - inner_product.hpp:82-83 - exec0.040.04
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.150.17
Loop 283 - TwoBodyJastrowRef.h:268-420 - exec+0.140.17
Loop 284 - TwoBodyJastrowRef.h:268-420 - exec+0.140.17
Loop 286 - TwoBodyJastrowRef.h:393-398 - exec0.040.05
Loop 292 - TwoBodyJastrowRef.h:381-382 - exec0.040.05
Loop 290 - TwoBodyJastrowRef.h:381-382 - exec0.030.03
Loop 296 - TwoBodyJastrowRef.h:375-376 - exec0.020.02
Loop 294 - TwoBodyJastrowRef.h:381-382 - exec0.010.02
mkl_lapack_xdlaswplibmkl_core.so.20.150.16
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.130.14
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.070.08
Loop 189 - OneBodyJastrowRef.h:186-187 - exec0.030.03
Loop 181 - OneBodyJastrowRef.h:192-193 - exec0.020.02
Loop 184 - OneBodyJastrowRef.h:192-193 - exec0.010.01
Loop 185 - OneBodyJastrowRef.h:192-193 - exec0.010.01
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+exec0.060.07
Loop 832 - inner_product.hpp:210-212 - exec+0.060.07
Loop 833 - inner_product.hpp:210-212 - exec+0.060.07
Loop 834 - inner_product.hpp:210-212 - exec+0.060.07
Loop 835 - inner_product.hpp:211-212 - exec0.060.07
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.050.05
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.050.05
qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)exec0.050.05
__tls_get_addrld-2.28.so0.040.04
_dl_update_slotinfold-2.28.so0.030.04
__kmp_get_global_thread_id_reglibiomp5.so0.030.03
__kmp_api_omp_get_levellibiomp5.so0.020.03
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.020.03
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.020.02
__kmp_api_omp_in_parallellibiomp5.so0.020.02
kmp_flag_native::notdone_check()libiomp5.so0.020.02
qmcplusplus::TimerType::stop()exec0.020.02
qmcplusplus::ParticleSet::acceptMove(int)exec0.020.02
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.020.02
Loop 210 - OneBodyJastrowRef.h:109-194 - exec+0.020.02
Loop 215 - OneBodyJastrowRef.h:192-193 - exec0.010.01
Loop 220 - OneBodyJastrowRef.h:186-187 - exec0.010.01
__dynamic_castlibstdc++.so.6.0.250.020.02
mkl_blas_dgemvlibmkl_intel_thread.so.20.010.02
mkl_blas_avx512_xdgerlibmkl_avx512.so.20.010.02
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)exec0.010.02
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.010.02
qmcplusplus::TimerType::start()exec0.010.02
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)exec0.010.02
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.010.02
Loop 876 - stl_algobase.h:740-742 - exec0.010.02
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)exec0.010.02
qmcplusplus::Vector >::resize(unsigned long, double)+exec0.010.02
Loop 230 - stl_algobase.h:752-754 - exec0.010.02
qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)exec0.010.02
qmcplusplus::ParticleSet::computeNewPosDistTables(int, qmcplusplus::TinyVector const&, bool)exec0.010.01
qmcplusplus::ParticleSet::update(bool)+exec0.010.01
Loop 1076 - ParticleSet.cpp:242-243 - exec0.010.01
qmcplusplus::DelayedUpdate::updateInvMat(qmcplusplus::Matrix >&)exec0.010.01
update_get_addrld-2.28.so0.010.01
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.010.01
qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010.01
unknown_functionexec0.010.01
mkl_blas_xdgemvlibmkl_core.so.200.01
__kmp_get_ancestor_thread_numlibiomp5.so00.01
_intel_fast_memsetexec00.01
__libm_exp_z0exec00.01
__libm_logl_exexec00.01
miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)exec00.01
__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.6.0.2500.01
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec00.01
main.extracted.110exec00.01
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