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Profiling node o404 - process 187432 - thread 187543

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec23.4419.98
Loop 817 - einspline_spo_ref.hpp:175-176 - exec+23.419.95
Loop 819 - MultiBsplineRef.hpp:63-71 - exec+23.419.95
Loop 818 - MultiBsplineRef.hpp:64-71 - exec+23.419.95
Loop 820 - MultiBsplineRef.hpp:68-71 - exec23.419.95
void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)+exec22.9819.59
Loop 888 - MultiBsplineRef.hpp:226-262 - exec+21.918.68
Loop 887 - MultiBsplineRef.hpp:227-262 - exec+21.918.68
Loop 886 - MultiBsplineRef.hpp:242-262 - exec21.918.68
Loop 885 - MultiBsplineRef.hpp:276-286 - exec1.060.9
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.211.9310.17
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.211.229.57
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec10.69.04
Loop 2732 - SoaDistanceTableABOMPTarget.h:214-228 - exec+10.589.02
Loop 2731 - SoaDistanceTableABOMPTarget.h:215-228 - exec+10.589.02
Loop 2733 - SoaDistanceTableABOMPTarget.h:228-228 - exec10.589.02
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec4.984.24
Loop 2289 - SoaDistanceTableAAOMPTarget.h:440-442 - exec4.974.24
Loop 2290 - SoaDistanceTableAAOMPTarget.h:437-437 - exec0.010.01
unknown_functionUnknown module2.211.89
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec1.621.38
Loop 340 - TwoBodyJastrowRef.h:107-132 - exec+1.61.36
Loop 341 - TwoBodyJastrowRef.h:127-132 - exec+1.61.36
Loop 342 - BsplineFunctor.h:236-241 - exec1.51.28
Loop 343 - BsplineFunctor.h:246-260 - exec0.10.08
qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)+exec1.441.23
Loop 2408 - ParticleBConds3DSoa.h:237-255 - exec0.740.63
Loop 2407 - ParticleBConds3DSoa.h:237-255 - exec0.690.59
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.381.17
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.21.060.9
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec1.020.87
Loop 889 - einspline_spo_ref.hpp:219-227 - exec+1.010.86
Loop 890 - einspline_spo_ref.hpp:223-227 - exec1.010.86
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec0.930.8
Loop 568 - TwoBodyJastrowRef.h:320-355 - exec+0.570.49
Loop 570 - TwoBodyJastrowRef.h:342-347 - exec0.570.49
Loop 571 - TwoBodyJastrowRef.h:324-331 - exec0.330.28
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.20.790.68
miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool)+exec0.580.49
Loop 564 - TwoBodyJastrowRef.h:269-271 - exec+0.550.47
Loop 565 - BsplineFunctor.h:291-298 - exec0.490.42
Loop 567 - BsplineFunctor.h:305-336 - exec0.050.04
Loop 566 - BsplineFunctor.h:305-336 - exec0.010.01
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.530.46
Loop 980 - DiracDeterminantRef.cpp:173-178 - exec+0.530.46
Loop 981 - inner_product.hpp:155-155 - exec0.30.26
Loop 982 - inner_product.hpp:82-83 - exec0.230.2
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.410.35
Loop 977 - inner_product.hpp:155-155 - exec0.410.35
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.340.29
Loop 572 - TwoBodyJastrowRef.h:150-157 - exec+0.280.23
Loop 573 - TwoBodyJastrowRef.h:155-156 - exec0.280.23
Loop 574 - stl_numeric.h:140-141 - exec0.060.05
unknown_kernel_regionkernel0.330.28
miniqmcreference::DiracDeterminantRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.290.24
Loop 975 - SPOSet.h:83-86 - exec+0.280.23
Loop 976 - inner_product.hpp:82-83 - exec0.280.23
miniqmcreference::DiracDeterminantRef >::invertPsiM(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&)+exec0.260.22
Loop 995 - inner_product.hpp:210-212 - exec+0.260.22
Loop 996 - inner_product.hpp:211-212 - exec0.260.22
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.180.16
Loop 971 - inner_product.hpp:155-155 - exec0.130.12
Loop 972 - inner_product.hpp:82-83 - exec0.040.04
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)+exec0.150.13
Loop 2540 - ParticleBConds3DSoa.h:237-255 - exec0.080.06
Loop 2539 - ParticleBConds3DSoa.h:237-255 - exec0.060.05
miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)+exec0.140.12
Loop 575 - TwoBodyJastrowRef.h:268-402 - exec+0.140.11
Loop 581 - TwoBodyJastrowRef.h:268-402 - exec+0.140.11
Loop 580 - TwoBodyJastrowRef.h:377-383 - exec+0.060.05
Loop 587 - TwoBodyJastrowRef.h:381-382 - exec0.060.05
Loop 579 - TwoBodyJastrowRef.h:269-271 - exec+0.040.02
Loop 590 - BsplineFunctor.h:291-298 - exec0.020.01
Loop 592 - BsplineFunctor.h:305-336 - exec0.020.01
Loop 584 - TwoBodyJastrowRef.h:375-402 - exec+0.020.02
Loop 585 - TwoBodyJastrowRef.h:397-398 - exec0.020.02
Loop 589 - stl_numeric.h:140-141 - exec0.010.01
Loop 586 - TwoBodyJastrowRef.h:388-391 - exec0.010.01
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.090.08
qmcplusplus::SoaDistanceTableAAOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec0.090.08
Loop 2358 - SoaDistanceTableAAOMPTarget.h:184-185 - exec+0.090.08
Loop 2359 - ParticleBConds3DSoa.h:237-255 - exec0.090.08
main._omp_fn.1exec0.090.07
mkl_lapack_xdlaswplibmkl_core.so.20.080.07
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.080.06
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.080.06
Loop 998 - DiracDeterminantRef.cpp:247-252 - exec+0.070.06
Loop 1000 - inner_product.hpp:155-155 - exec0.060.05
Loop 999 - inner_product.hpp:82-83 - exec0.010.01
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.080.06
Loop 258 - OneBodyJastrowRef.h:134-155 - exec+0.060.05
Loop 260 - OneBodyJastrowRef.h:143-146 - exec+0.060.05
Loop 261 - BsplineFunctor.h:236-241 - exec0.060.05
gomp_team_barrier_wait_endlibgomp.so.1.0.00.070.06
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.060.05
f64xsubf128libm-2.28.so0.050.05
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.050.04
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.030.02
qmcplusplus::TimerType::stop()exec0.030.02
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.030.02
Loop 1007 - stl_algobase.h:262-1129 - exec+0.030.02
Loop 1010 - stl_algobase.h:918-919 - exec0.030.02
gomp_barrier_wait_endlibgomp.so.1.0.00.020.02
gomp_ialias_omp_get_ancestor_thread_numlibgomp.so.1.0.00.020.02
gomp_ialias_omp_get_levellibgomp.so.1.0.00.020.02
__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.6.0.310.020.01
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)+exec0.020.01
Loop 1236 - stl_vector.h:988-988 - exec0.010.01
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.020.01
Loop 692 - OneBodyJastrowRef.h:184-194 - exec+0.010.01
Loop 694 - OneBodyJastrowRef.h:192-193 - exec0.010.01
Loop 693 - stl_numeric.h:140-141 - exec0.010.01
Loop 695 - OneBodyJastrowRef.h:186-187 - exec0.010.01
qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)exec0.020.01
DGEMVlibmkl_intel_lp64.so.20.010.01
mkl_blas_avx512_xdgemvlibmkl_avx512.so.20.010.01
__dynamic_castlibstdc++.so.6.0.310.010.01
operator delete(void*)libstdc++.so.6.0.310.010.01
miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particl...+exec0.010.01
Loop 705 - OneBodyJastrowRef.h:109-194 - exec+0.010.01
Loop 704 - OneBodyJastrowRef.h:184-194 - exec+0.010.01
Loop 706 - OneBodyJastrowRef.h:192-193 - exec0.010.01
mkl_blas_xdgemvlibmkl_core.so.20.010.01
mkl_serv_lsame@pltlibmkl_intel_lp64.so.20.010.01
getPointer_bufferlibmkl_avx512.so.20.010.01
mkl_blas_avx512_dfind_idxlibmkl_avx512.so.20.010.01
mkl_blas_avx512_xdgemm_nocopy_driverlibmkl_avx512.so.20.010.01
qmcplusplus::Vector > >::resize(unsigned long, double)exec0.010.01
qmcplusplus::TimerType::start()exec0.010.01
qmcplusplus::ParticleSet::acceptMove(int)exec0.010.01
qmcplusplus::ParticleSet::update(bool)exec0.010.01
qmcplusplus::ParticleSet::getDistTableAB(int) constexec0.010.01
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constexec0.010.01
pthread_spin_locklibpthread-2.28.so0.010.01
miniqmcreference::OneBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010.01
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.010.01
unknown_functionexec0.010.01
mkl_blas_avx512_xdgerlibmkl_avx512.so.200
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