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Profiling node o401 - process 137748 - thread 137798

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec24.8327.69
Loop 870 - MultiBsplineRef.hpp:42-71 - exec+24.7827.64
Loop 871 - MultiBsplineRef.hpp:63-71 - exec+24.7827.64
Loop 872 - MultiBsplineRef.hpp:64-71 - exec+24.7827.64
Loop 873 - MultiBsplineRef.hpp:68-70 - exec24.7827.64
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.215.0616.8
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.214.3115.96
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec13.3314.87
Loop 876 - MultiBsplineRef.hpp:187-286 - exec+12.4713.91
Loop 878 - MultiBsplineRef.hpp:226-262 - exec+12.1413.54
Loop 879 - MultiBsplineRef.hpp:227-262 - exec+12.1413.54
Loop 880 - MultiBsplineRef.hpp:242-262 - exec12.1413.54
Loop 877 - MultiBsplineRef.hpp:276-286 - exec0.330.37
Loop 874 - einspline_spo_ref.hpp:219-227 - exec+0.840.94
Loop 875 - einspline_spo_ref.hpp:223-227 - exec0.840.94
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec8.259.2
Loop 2088 - SoaDistanceTableABOMPTarget.h:214-228 - exec+8.239.17
Loop 2089 - SoaDistanceTableABOMPTarget.h:215-228 - exec+8.239.17
Loop 2090 - SoaDistanceTableABOMPTarget.h:228-228 - exec8.239.17
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec6.647.4
Loop 1864 - SoaDistanceTableAAOMPTarget.h:440-442 - exec6.647.4
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec1.992.21
Loop 1370 - ParticleBConds3DSoa.h:235-256 - exec1.982.21
__intel_avx_rep_memset+exec1.852.06
Loop 2345 - - exec1.071.19
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.521.7
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec1.451.62
Loop 389 - TwoBodyJastrowRef.h:107-132 - exec+1.411.56
Loop 390 - BsplineFunctor.h:229-260 - exec+1.411.56
Loop 393 - BsplineFunctor.h:236-241 - exec1.361.51
Loop 391 - BsplineFunctor.h:246-260 - exec0.050.05
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.21.081.2
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec1.011.13
Loop 359 - TwoBodyJastrowRef.h:342-347 - exec0.280.31
Loop 357 - TwoBodyJastrowRef.h:342-347 - exec0.250.28
Loop 363 - TwoBodyJastrowRef.h:324-331 - exec0.240.26
Loop 361 - TwoBodyJastrowRef.h:342-347 - exec0.230.25
kmp_flag_64::wait(kmp_info*, int, void*)libiomp5.so11.12
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.20.931.04
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.740.83
Loop 992 - inner_product.hpp:82-155 - exec+0.740.82
Loop 994 - inner_product.hpp:155-155 - exec0.540.6
Loop 996 - inner_product.hpp:82-83 - exec0.20.22
unknown_functionUnknown module0.740.82
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.70.78
Loop 332 - BsplineFunctor.h:291-297 - exec0.60.66
Loop 330 - BsplineFunctor.h:303-338 - exec0.070.07
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.560.62
Loop 351 - TwoBodyJastrowRef.h:155-156 - exec0.170.19
Loop 350 - TwoBodyJastrowRef.h:155-156 - exec0.140.15
Loop 354 - stl_numeric.h:126-127 - exec0.10.11
Loop 352 - TwoBodyJastrowRef.h:155-156 - exec0.090.1
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.480.53
Loop 981 - inner_product.hpp:155-155 - exec0.470.52
unknown_kernel_regionkernel0.420.46
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.350.39
Loop 982 - inner_product.hpp:155-155 - exec0.230.25
Loop 985 - inner_product.hpp:82-83 - exec0.120.13
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+exec0.340.37
Loop 881 - inner_product.hpp:82-83 - exec+0.340.37
Loop 883 - inner_product.hpp:82-83 - exec0.340.37
mkl_lapack_xdlaswplibmkl_core.so.20.270.3
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+exec0.230.25
Loop 960 - inner_product.hpp:210-212 - exec+0.220.25
Loop 962 - inner_product.hpp:211-212 - exec0.130.15
Loop 961 - inner_product.hpp:211-212 - exec0.090.1
__intel_avx_rep_memcpyexec0.230.25
pthread_spin_locklibpthread-2.28.so0.220.24
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.170.19
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.140.15
Loop 975 - inner_product.hpp:82-155 - exec+0.140.15
Loop 979 - inner_product.hpp:155-155 - exec0.110.12
Loop 977 - inner_product.hpp:82-83 - exec0.030.03
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.110.12
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.110.12
Loop 368 - TwoBodyJastrowRef.h:268-420 - exec+0.090.09
Loop 370 - stl_algobase.h:752-754 - exec+0.090.09
Loop 377 - TwoBodyJastrowRef.h:388-391 - exec0.030.03
Loop 383 - TwoBodyJastrowRef.h:381-382 - exec0.020.02
Loop 379 - TwoBodyJastrowRef.h:381-382 - exec0.010.01
Loop 381 - TwoBodyJastrowRef.h:381-382 - exec0.010.01
Loop 373 - TwoBodyJastrowRef.h:397-398 - exec0.010.01
Loop 374 - TwoBodyJastrowRef.h:397-398 - exec0.010.01
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.10.11
Loop 303 - OneBodyJastrowRef.h:134-155 - exec+0.090.1
Loop 305 - BsplineFunctor.h:229-260 - exec+0.090.1
Loop 308 - BsplineFunctor.h:236-241 - exec0.090.1
qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)exec0.070.08
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.060.07
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.050.05
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.040.05
Loop 268 - OneBodyJastrowRef.h:186-187 - exec0.020.02
Loop 263 - OneBodyJastrowRef.h:192-193 - exec0.010.01
Loop 264 - OneBodyJastrowRef.h:192-193 - exec0.010.01
__kmp_api_omp_get_levellibiomp5.so0.040.05
__kmp_get_global_thread_id_reglibiomp5.so0.030.03
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)exec0.030.03
qmcplusplus::TimerType::start()exec0.030.03
_dl_update_slotinfold-2.28.so0.030.03
main.extracted.110+exec0.030.03
Loop 24 - new_allocator.h:101-125 - exec+0.020.02
Loop 35 - StdRandom.h:102-103 - exec+0.020.02
Loop 36 - miniqmc.cpp:429-458 - exec0.020.02
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.020.02
Loop 1004 - stl_algobase.h:740-742 - exec0.020.02
mkl_blas_avx512_xdgemvlibmkl_avx512.so.20.020.02
__libm_exp_z0exec0.020.02
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)+exec0.020.02
Loop 329 - OneBodyJastrowRef.h:214-219 - exec0.020.02
qmcplusplus::Vector >::resize(unsigned long, double)+exec0.020.02
Loop 313 - stl_algobase.h:752-754 - exec0.020.02
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.020.02
DGEMVlibmkl_intel_lp64.so.20.010.01
mkl_blas_avx512_xdgerlibmkl_avx512.so.20.010.01
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.010.01
qmcplusplus::TimerType::stop()exec0.010.01
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)exec0.010.01
update_get_addrld-2.28.so0.010.01
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.010.01
Loop 290 - OneBodyJastrowRef.h:109-194 - exec+0.010.01
Loop 297 - OneBodyJastrowRef.h:192-193 - exec0.010.01
miniqmcreference::OneBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)exec0.010.01
__dynamic_castlibstdc++.so.6.0.250.010.01
mkl_blas_dgemvlibmkl_intel_thread.so.20.010.01
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.010.01
kmp_flag_native::notdone_check()libiomp5.so0.010.01
qmcplusplus::RealSpacePositionsOMPTarget::getAllParticlePos() constexec0.010.01
qmcplusplus::ParticleSet::acceptMove(int)exec0.010.01
pthread_getspecific@pltlibmkl_intel_thread.so.20.010.01
__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.6.0.250.010.01
__tls_get_addrld-2.28.so0.010.01
mkl_blas_xdgemvlibmkl_core.so.200
__kmp_api_omp_in_parallellibiomp5.so00
qmcplusplus::ParticleSet::update(bool)exec00
miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)exec00
miniqmcreference::TwoBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec00
qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)exec00
qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)exec00
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