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Profiling node o401 - process 189700 - thread 189853

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec21.9724.51
Loop 745 - MultiBsplineRef.hpp:42-71 - exec+21.9524.49
Loop 746 - MultiBsplineRef.hpp:63-71 - exec+21.9524.49
Loop 747 - MultiBsplineRef.hpp:64-71 - exec+21.9524.49
Loop 748 - MultiBsplineRef.hpp:68-70 - exec21.9524.49
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec17.6619.7
Loop 751 - MultiBsplineRef.hpp:187-286 - exec+15.8317.67
Loop 754 - MultiBsplineRef.hpp:226-262 - exec+15.517.3
Loop 755 - MultiBsplineRef.hpp:227-262 - exec+15.517.3
Loop 760 - MultiBsplineRef.hpp:242-262 - exec+15.517.3
Loop 762 - MultiBsplineRef.hpp:242-262 - exec10.7912.04
Loop 761 - MultiBsplineRef.hpp:242-261 - exec4.715.26
Loop 753 - MultiBsplineRef.hpp:276-286 - exec0.330.37
Loop 749 - einspline_spo_ref.hpp:219-227 - exec+0.820.92
Loop 750 - einspline_spo_ref.hpp:223-227 - exec0.820.92
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.214.6816.38
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.212.9514.45
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec7.868.77
Loop 1963 - SoaDistanceTableABOMPTarget.h:214-228 - exec+7.858.76
Loop 1965 - SoaDistanceTableABOMPTarget.h:215-228 - exec+7.858.76
Loop 1964 - SoaDistanceTableABOMPTarget.h:228-228 - exec7.858.76
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec6.797.58
Loop 1724 - SoaDistanceTableAAOMPTarget.h:440-442 - exec6.797.58
__intel_avx_rep_memset+exec1.992.22
Loop 2247 - - exec1.11.23
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec1.71.89
Loop 1227 - ParticleBConds3DSoa.h:235-256 - exec1.691.88
kmp_flag_64::wait(kmp_info*, int, void*)libiomp5.so1.661.85
qmcplusplus::BsplineFunctor::evaluateV(int, int, int, double const*, double*) const+exec1.51.68
Loop 252 - BsplineFunctor.h:236-241 - exec1.371.53
Loop 250 - BsplineFunctor.h:246-260 - exec0.110.12
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.221.36
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec1.031.15
Loop 273 - TwoBodyJastrowRef.h:324-349 - exec+0.730.82
Loop 275 - TwoBodyJastrowRef.h:342-347 - exec0.730.82
Loop 278 - TwoBodyJastrowRef.h:324-331 - exec0.260.29
Loop 280 - TwoBodyJastrowRef.h:269-274 - exec0.010.01
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.211.12
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.981.09
Loop 864 - inner_product.hpp:82-155 - exec+0.971.08
Loop 866 - inner_product.hpp:155-155 - exec0.660.74
Loop 868 - inner_product.hpp:82-83 - exec0.310.34
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.760.85
Loop 248 - BsplineFunctor.h:291-298 - exec0.640.71
Loop 246 - BsplineFunctor.h:303-338 - exec0.060.07
Loop 245 - BsplineFunctor.h:303-338 - exec0.010.01
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.20.740.83
unknown_functionUnknown module0.630.7
pthread_spin_locklibpthread-2.28.so0.590.66
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.560.63
Loop 853 - inner_product.hpp:155-155 - exec0.560.63
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.520.58
Loop 265 - TwoBodyJastrowRef.h:155-156 - exec0.170.19
Loop 269 - TwoBodyJastrowRef.h:155-156 - exec0.160.18
Loop 267 - TwoBodyJastrowRef.h:155-156 - exec0.10.11
Loop 271 - stl_numeric.h:126-127 - exec0.060.07
unknown_kernel_regionkernel0.420.47
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+exec0.340.38
Loop 763 - inner_product.hpp:82-83 - exec+0.340.37
Loop 765 - inner_product.hpp:82-83 - exec0.340.37
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.320.36
Loop 854 - inner_product.hpp:155-155 - exec0.190.21
Loop 857 - inner_product.hpp:82-83 - exec0.130.14
__intel_avx_rep_memcpyexec0.270.31
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.230.26
mkl_lapack_xdlaswplibmkl_core.so.20.220.25
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.190.22
Loop 847 - inner_product.hpp:82-155 - exec+0.180.21
Loop 851 - inner_product.hpp:155-155 - exec0.130.15
Loop 849 - inner_product.hpp:82-83 - exec0.050.06
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.170.19
Loop 283 - TwoBodyJastrowRef.h:268-420 - exec+0.170.19
Loop 284 - TwoBodyJastrowRef.h:268-420 - exec+0.170.19
Loop 296 - TwoBodyJastrowRef.h:375-376 - exec0.040.04
Loop 286 - TwoBodyJastrowRef.h:393-398 - exec0.030.03
Loop 294 - TwoBodyJastrowRef.h:381-382 - exec0.030.03
Loop 290 - TwoBodyJastrowRef.h:381-382 - exec0.030.04
Loop 288 - TwoBodyJastrowRef.h:388-391 - exec0.020.02
Loop 292 - TwoBodyJastrowRef.h:381-382 - exec0.020.03
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+exec0.130.15
Loop 832 - inner_product.hpp:210-212 - exec+0.130.15
Loop 833 - inner_product.hpp:210-212 - exec+0.130.15
Loop 834 - inner_product.hpp:210-212 - exec+0.130.15
Loop 835 - inner_product.hpp:211-212 - exec0.130.15
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.080.09
qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)+exec0.070.08
Loop 49 - NonLocalPP.hpp:122-135 - exec+0.020.03
Loop 50 - NonLocalPP.hpp:126-135 - exec+0.020.03
Loop 51 - NonLocalPP.hpp:131-132 - exec0.020.03
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.070.08
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.070.08
Loop 184 - OneBodyJastrowRef.h:192-193 - exec0.020.02
Loop 189 - OneBodyJastrowRef.h:186-187 - exec0.020.03
Loop 181 - OneBodyJastrowRef.h:192-193 - exec0.010.01
Loop 185 - OneBodyJastrowRef.h:192-193 - exec0.010.01
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.050.06
__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.6.0.250.030.04
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)exec0.030.03
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)+exec0.030.03
Loop 244 - OneBodyJastrowRef.h:214-219 - exec0.010.01
__kmp_api_omp_get_levellibiomp5.so0.030.03
__kmp_get_ancestor_thread_numlibiomp5.so0.020.03
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)exec0.020.03
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.020.03
Loop 876 - stl_algobase.h:740-742 - exec0.020.03
_dl_update_slotinfold-2.28.so0.020.03
__tls_get_addrld-2.28.so0.020.03
__kmp_get_global_thread_id_reglibiomp5.so0.020.02
kmp_flag_native::notdone_check()libiomp5.so0.020.02
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.020.02
qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)exec0.020.02
mkl_blas_xdgemvlibmkl_core.so.20.010.01
__libm_exp_z0exec0.010.01
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.010.01
qmcplusplus::Vector >::resize(unsigned long, double)+exec0.010.01
Loop 230 - stl_algobase.h:752-754 - exec0.010.01
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.010.01
Loop 210 - OneBodyJastrowRef.h:109-194 - exec+0.010.01
Loop 212 - OneBodyJastrowRef.h:192-193 - exec0.010.01
__dynamic_castlibstdc++.so.6.0.250.010.01
main.extracted.110+exec0.010.01
Loop 24 - new_allocator.h:101-125 - exec+0.010.01
Loop 27 - miniqmc.cpp:425-461 - exec+0.010.01
Loop 28 - miniqmc.cpp:429-458 - exec0.010.01
mkl_blas_avx512_xdgemm_nocopy_driverlibmkl_avx512.so.20.010.01
qmcplusplus::VirtualParticleSet::makeMoves(qmcplusplus::ParticleSet const&, int, std::vector, std::allocator > > const&, bool, int)exec0.010.01
miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)exec0.010.01
void qmcplusplus::DelayedUpdate::getInvRow > >(qmcplusplus::Matrix > const&, int, qmcplusplus::Vector >&)exec0.010.01
__GI___sched_yieldlibc-2.28.so0.010.01
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.010.01
Loop 300 - TwoBodyJastrowRef.h:107-132 - exec+0.010.01
Loop 301 - TwoBodyJastrowRef.h:127-132 - exec0.010.01
__tls_get_addr_slowld-2.28.so0.010.01
update_get_addrld-2.28.so0.010.01
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.010.01
double std::uniform_real_distribution::operator() >(std::mersenne_twister_engineexec0.010.01
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.200
mkl_blas_avx512_xdgemvlibmkl_avx512.so.200
_intel_fast_memsetexec00
qmcplusplus::TimerType::stop()exec00
qmcplusplus::TimerType::start()exec00
qmcplusplus::ParticleSet::acceptMove(int)exec00
miniqmcreference::OneBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec00
qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)exec00
mkl_blas_avx512_xdgerlibmkl_avx512.so.200
__libm_logl_exexec00
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