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Profiling node o404 - process 187436 - thread 187481

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec23.5620.3
Loop 817 - einspline_spo_ref.hpp:175-176 - exec+23.4620.22
Loop 819 - MultiBsplineRef.hpp:63-71 - exec+23.4620.22
Loop 818 - MultiBsplineRef.hpp:64-71 - exec+23.4620.22
Loop 820 - MultiBsplineRef.hpp:68-71 - exec23.4620.22
Loop 816 - einspline_spo_ref.hpp:183-187 - exec0.010.01
void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)+exec21.9718.93
Loop 888 - MultiBsplineRef.hpp:226-262 - exec+20.7517.88
Loop 887 - MultiBsplineRef.hpp:227-262 - exec+20.7517.88
Loop 886 - MultiBsplineRef.hpp:242-262 - exec20.7517.88
Loop 885 - MultiBsplineRef.hpp:276-286 - exec1.181.02
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.212.0610.4
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.211.339.76
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec10.889.38
Loop 2732 - SoaDistanceTableABOMPTarget.h:214-228 - exec+10.879.36
Loop 2731 - SoaDistanceTableABOMPTarget.h:215-228 - exec+10.879.36
Loop 2733 - SoaDistanceTableABOMPTarget.h:228-228 - exec10.879.36
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec4.664.01
Loop 2289 - SoaDistanceTableAAOMPTarget.h:440-442 - exec4.654.01
unknown_functionUnknown module2.332.01
qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)+exec1.641.42
Loop 2408 - ParticleBConds3DSoa.h:237-255 - exec0.810.69
Loop 2407 - ParticleBConds3DSoa.h:237-255 - exec0.80.69
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec1.611.38
Loop 340 - TwoBodyJastrowRef.h:107-132 - exec+1.551.34
Loop 341 - TwoBodyJastrowRef.h:127-132 - exec+1.551.34
Loop 342 - BsplineFunctor.h:236-241 - exec1.491.29
Loop 343 - BsplineFunctor.h:246-260 - exec0.060.05
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.411.21
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec0.960.83
Loop 568 - TwoBodyJastrowRef.h:320-355 - exec+0.580.5
Loop 570 - TwoBodyJastrowRef.h:342-347 - exec0.580.5
Loop 571 - TwoBodyJastrowRef.h:324-331 - exec0.340.29
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.20.950.82
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec0.840.72
Loop 889 - einspline_spo_ref.hpp:219-227 - exec+0.770.67
Loop 890 - einspline_spo_ref.hpp:223-227 - exec0.770.67
Loop 891 - einspline_spo_ref.hpp:206-207 - exec0.010.01
miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool)+exec0.740.64
Loop 564 - TwoBodyJastrowRef.h:269-271 - exec+0.640.55
Loop 565 - BsplineFunctor.h:291-298 - exec0.560.48
Loop 567 - BsplineFunctor.h:305-336 - exec0.070.06
Loop 566 - BsplineFunctor.h:305-336 - exec0.010.01
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.20.70.6
unknown_kernel_regionkernel0.590.5
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.510.44
Loop 980 - DiracDeterminantRef.cpp:173-178 - exec+0.510.44
Loop 981 - inner_product.hpp:155-155 - exec0.350.3
Loop 982 - inner_product.hpp:82-83 - exec0.160.14
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.40.34
Loop 572 - TwoBodyJastrowRef.h:150-157 - exec+0.310.27
Loop 573 - TwoBodyJastrowRef.h:155-156 - exec0.310.27
Loop 574 - stl_numeric.h:140-141 - exec0.060.05
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.290.25
Loop 977 - inner_product.hpp:155-155 - exec0.280.24
miniqmcreference::DiracDeterminantRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.280.24
Loop 975 - SPOSet.h:83-86 - exec+0.280.24
Loop 976 - inner_product.hpp:82-83 - exec0.280.24
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)+exec0.240.21
Loop 2540 - ParticleBConds3DSoa.h:237-255 - exec0.180.16
Loop 2539 - ParticleBConds3DSoa.h:237-255 - exec0.060.05
miniqmcreference::DiracDeterminantRef >::invertPsiM(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&)+exec0.240.2
Loop 995 - inner_product.hpp:210-212 - exec+0.240.2
Loop 996 - inner_product.hpp:211-212 - exec0.240.2
miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)+exec0.180.15
Loop 575 - TwoBodyJastrowRef.h:268-402 - exec+0.180.15
Loop 581 - TwoBodyJastrowRef.h:268-402 - exec+0.180.15
Loop 580 - TwoBodyJastrowRef.h:377-383 - exec+0.080.07
Loop 587 - TwoBodyJastrowRef.h:381-382 - exec0.080.07
Loop 579 - TwoBodyJastrowRef.h:269-271 - exec+0.060.05
Loop 590 - BsplineFunctor.h:291-298 - exec0.050.04
Loop 591 - BsplineFunctor.h:305-336 - exec0.010.01
Loop 586 - TwoBodyJastrowRef.h:388-391 - exec0.020.01
Loop 584 - TwoBodyJastrowRef.h:375-402 - exec+0.020.02
Loop 585 - TwoBodyJastrowRef.h:397-398 - exec0.020.02
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.170.14
Loop 972 - inner_product.hpp:82-83 - exec0.080.07
Loop 971 - inner_product.hpp:155-155 - exec0.060.05
qmcplusplus::SoaDistanceTableAAOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec0.170.14
Loop 2358 - SoaDistanceTableAAOMPTarget.h:184-185 - exec+0.170.14
Loop 2359 - ParticleBConds3DSoa.h:237-255 - exec0.170.14
mkl_lapack_xdlaswplibmkl_core.so.20.130.11
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.120.1
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.090.08
Loop 998 - DiracDeterminantRef.cpp:247-252 - exec+0.080.07
Loop 1000 - inner_product.hpp:155-155 - exec0.070.06
Loop 999 - inner_product.hpp:82-83 - exec0.010.01
Loop 1001 - SPOSet.h:106-111 - exec0.010.01
main._omp_fn.1exec0.090.07
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.080.07
f64xsubf128libm-2.28.so0.080.07
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.060.05
Loop 258 - OneBodyJastrowRef.h:134-155 - exec+0.050.04
Loop 260 - OneBodyJastrowRef.h:143-146 - exec+0.050.04
Loop 261 - BsplineFunctor.h:236-241 - exec0.050.04
gomp_team_barrier_wait_endlibgomp.so.1.0.00.060.05
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.050.04
__dynamic_castlibstdc++.so.6.0.310.050.04
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.030.03
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
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.030.03
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.030.03
qmcplusplus::TimerType::start()exec0.030.03
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*) [clone .isra.0]+exec0.030.03
Loop 216 - OneBodyJastrowRef.h:214-218 - exec+0.010.01
Loop 217 - OneBodyJastrowRef.h:214-216 - exec0.010.01
mkl_blas_avx512_xdgemvlibmkl_avx512.so.20.020.02
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.020.02
Loop 1007 - stl_algobase.h:262-1129 - exec+0.020.02
Loop 1010 - stl_algobase.h:918-919 - exec0.020.02
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constexec0.020.02
unknown_functionexec0.020.02
mkl_blas_avx512_xdgerlibmkl_avx512.so.20.020.01
qmcplusplus::ParticleSet::update(bool)+exec0.020.01
Loop 1235 - stl_vector.h:988-988 - exec0.010.01
miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particl...+exec0.020.01
Loop 705 - OneBodyJastrowRef.h:109-194 - exec+0.020.01
Loop 704 - OneBodyJastrowRef.h:184-194 - exec+0.020.01
Loop 706 - OneBodyJastrowRef.h:192-193 - exec0.020.01
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.020.01
qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)exec0.020.01
qmcplusplus::TimerType::stop()exec0.010.01
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)+exec0.010.01
Loop 1236 - stl_vector.h:988-988 - exec0.010.01
gomp_barrier_wait_endlibgomp.so.1.0.00.010.01
gomp_ialias_omp_get_ancestor_thread_numlibgomp.so.1.0.00.010.01
gomp_ialias_omp_get_levellibgomp.so.1.0.00.010.01
qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)exec0.010.01
mkl_lapack_dgetf2libmkl_core.so.20.010.01
DGEMVlibmkl_intel_lp64.so.20.010.01
DGERlibmkl_intel_lp64.so.20.010.01
mkl_serv_deallocatelibmkl_core.so.20.010.01
mkl_blas_dgemvlibmkl_sequential.so.20.010.01
mkl_blas_avx512_xidamaxlibmkl_avx512.so.20.010.01
mkl_blas_avx512_d_generic_fullacopybcopylibmkl_avx512.so.20.010.01
mkl_blas_avx512_xdgemm_nocopy_driverlibmkl_avx512.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.6.0.310.010.01
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)+exec0.010.01
Loop 2533 - stl_algo.h:731-757 - exec0.010.01
qmcplusplus::RealSpacePositions::setAllParticlePos(qmcplusplus::ParticleAttrib, std::allocator > > const&)exec0.010.01
qmcplusplus::RealSpacePositionsOMPTarget::setOneParticlePos(qmcplusplus::TinyVector const&, unsigned long)exec0.010.01
qmcplusplus::ParticleSet::rejectMove(int)exec0.010.01
qmcplusplus::ParticleSet::getDistTableAB(int) constexec0.010.01
miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)exec0.010.01
miniqmcreference::OneBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010.01
miniqmcreference::TwoBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010.01
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