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Profiling node o401 - process 137748 - thread 137919

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec22.2624.28
Loop 870 - MultiBsplineRef.hpp:42-71 - exec+22.2124.23
Loop 871 - MultiBsplineRef.hpp:63-71 - exec+22.2124.23
Loop 872 - MultiBsplineRef.hpp:64-71 - exec+22.2124.23
Loop 873 - MultiBsplineRef.hpp:68-70 - exec22.2124.23
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.215.6917.12
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.214.9216.28
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec13.7915.05
Loop 876 - MultiBsplineRef.hpp:187-286 - exec+12.8514.02
Loop 878 - MultiBsplineRef.hpp:226-262 - exec+12.4613.59
Loop 879 - MultiBsplineRef.hpp:227-262 - exec+12.4613.59
Loop 880 - MultiBsplineRef.hpp:242-262 - exec12.4613.59
Loop 877 - MultiBsplineRef.hpp:276-286 - exec0.390.43
Loop 874 - einspline_spo_ref.hpp:219-227 - exec+0.90.98
Loop 875 - einspline_spo_ref.hpp:223-227 - exec0.90.98
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec7.698.39
Loop 2088 - SoaDistanceTableABOMPTarget.h:214-228 - exec+7.678.37
Loop 2089 - SoaDistanceTableABOMPTarget.h:215-228 - exec+7.678.37
Loop 2090 - SoaDistanceTableABOMPTarget.h:228-228 - exec7.678.37
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec7.187.83
Loop 1864 - SoaDistanceTableAAOMPTarget.h:440-442 - exec7.177.82
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec2.272.47
Loop 1370 - ParticleBConds3DSoa.h:235-256 - exec2.272.47
__intel_avx_rep_memset+exec2.162.36
Loop 2345 - - exec1.261.38
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.541.68
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec1.451.58
Loop 389 - TwoBodyJastrowRef.h:107-132 - exec+1.421.54
Loop 390 - BsplineFunctor.h:229-260 - exec+1.421.54
Loop 393 - BsplineFunctor.h:236-241 - exec1.351.47
Loop 391 - BsplineFunctor.h:246-260 - exec0.070.07
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec1.311.42
Loop 363 - TwoBodyJastrowRef.h:324-331 - exec0.370.4
Loop 359 - TwoBodyJastrowRef.h:342-347 - exec0.330.36
Loop 361 - TwoBodyJastrowRef.h:342-347 - exec0.320.35
Loop 357 - TwoBodyJastrowRef.h:342-347 - exec0.270.29
kmp_flag_64::wait(kmp_info*, int, void*)libiomp5.so1.261.37
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.20.991.08
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.951.03
Loop 992 - inner_product.hpp:82-155 - exec+0.941.04
Loop 994 - inner_product.hpp:155-155 - exec0.670.74
Loop 996 - inner_product.hpp:82-83 - exec0.270.3
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.20.931.01
unknown_functionUnknown module0.640.69
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.620.68
Loop 350 - TwoBodyJastrowRef.h:155-156 - exec0.190.2
Loop 351 - TwoBodyJastrowRef.h:155-156 - exec0.170.19
Loop 352 - TwoBodyJastrowRef.h:155-156 - exec0.150.16
Loop 354 - stl_numeric.h:126-127 - exec0.090.1
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.580.64
Loop 332 - BsplineFunctor.h:291-297 - exec0.490.53
Loop 330 - BsplineFunctor.h:303-338 - exec0.050.06
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.490.53
Loop 981 - inner_product.hpp:155-155 - exec0.490.53
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.410.44
Loop 982 - inner_product.hpp:155-155 - exec0.290.31
Loop 985 - inner_product.hpp:82-83 - exec0.110.12
unknown_kernel_regionkernel0.350.38
__intel_avx_rep_memcpyexec0.280.31
mkl_lapack_xdlaswplibmkl_core.so.20.250.27
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+exec0.250.27
Loop 960 - inner_product.hpp:210-212 - exec+0.250.27
Loop 962 - inner_product.hpp:211-212 - exec0.140.15
Loop 961 - inner_product.hpp:211-212 - exec0.110.12
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+exec0.230.25
Loop 881 - inner_product.hpp:82-83 - exec+0.230.25
Loop 883 - inner_product.hpp:82-83 - exec0.230.25
pthread_spin_locklibpthread-2.28.so0.220.24
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.160.17
Loop 975 - inner_product.hpp:82-155 - exec+0.160.18
Loop 979 - inner_product.hpp:155-155 - exec0.130.15
Loop 977 - inner_product.hpp:82-83 - exec0.030.03
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.140.15
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.120.13
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.10.11
Loop 368 - TwoBodyJastrowRef.h:268-420 - exec+0.080.08
Loop 370 - stl_algobase.h:752-754 - exec+0.080.08
Loop 374 - TwoBodyJastrowRef.h:397-398 - exec0.020.02
Loop 385 - TwoBodyJastrowRef.h:375-376 - exec0.020.02
Loop 379 - TwoBodyJastrowRef.h:381-382 - exec0.010.01
Loop 381 - TwoBodyJastrowRef.h:381-382 - exec0.010.01
Loop 377 - TwoBodyJastrowRef.h:388-391 - exec0.010.01
Loop 383 - TwoBodyJastrowRef.h:381-382 - exec0.010.01
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.080.09
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.060.07
Loop 263 - OneBodyJastrowRef.h:192-193 - exec0.030.03
Loop 264 - OneBodyJastrowRef.h:192-193 - exec0.010.01
Loop 268 - OneBodyJastrowRef.h:186-187 - exec0.010.01
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.050.05
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.050.05
Loop 303 - OneBodyJastrowRef.h:134-155 - exec+0.030.04
Loop 305 - BsplineFunctor.h:229-260 - exec+0.030.04
Loop 308 - BsplineFunctor.h:236-241 - exec0.030.04
qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)exec0.040.04
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.040.04
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.040.04
__kmp_api_omp_get_levellibiomp5.so0.030.03
__kmp_get_global_thread_id_reglibiomp5.so0.020.03
qmcplusplus::TimerType::start()exec0.020.03
__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.6.0.250.020.03
mkl_blas_xdgemvlibmkl_core.so.20.020.02
__libm_exp_z0exec0.020.02
kmp_flag_native::notdone_check()libiomp5.so0.020.02
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.020.02
Loop 1004 - stl_algobase.h:740-742 - exec0.020.02
update_get_addrld-2.28.so0.020.02
_dl_update_slotinfold-2.28.so0.020.02
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.020.02
__tls_get_addrld-2.28.so0.020.02
qmcplusplus::TimerType::stop()exec0.010.01
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)+exec0.010.01
Loop 329 - OneBodyJastrowRef.h:214-219 - exec0.010.01
qmcplusplus::Vector >::resize(unsigned long, double)+exec0.010.01
Loop 313 - stl_algobase.h:752-754 - exec0.010.01
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...exec0.010.01
qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.010.01
Loop 101 - WaveFunction.cpp:185-188 - exec0.010.01
_intel_fast_memsetexec0.010.01
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)exec0.010.01
qmcplusplus::ParticleSet::rejectMove(int)exec0.010.01
__cxxabiv1::__si_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
miniqmcreference::TwoBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010.01
miniqmcreference::OneBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010.01
__dynamic_castlibstdc++.so.6.0.250.010.01
main.extracted.110exec0.010.01
mkl_blas_avx512_xdgemvlibmkl_avx512.so.200
qmcplusplus::ParticleSet::acceptMove(int)exec00
qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)exec00
mkl_blas_avx512_xdgerlibmkl_avx512.so.200
miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)exec00
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