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Profiling node o404 - process 187432 - thread 187626

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec24.3921.43
Loop 817 - einspline_spo_ref.hpp:175-176 - exec+24.3421.38
Loop 819 - MultiBsplineRef.hpp:63-71 - exec+24.3421.38
Loop 818 - MultiBsplineRef.hpp:64-71 - exec+24.3421.38
Loop 820 - MultiBsplineRef.hpp:68-71 - exec24.3421.38
void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)+exec22.119.42
Loop 888 - MultiBsplineRef.hpp:226-262 - exec+20.918.35
Loop 887 - MultiBsplineRef.hpp:227-262 - exec+20.918.35
Loop 886 - MultiBsplineRef.hpp:242-262 - exec20.918.35
Loop 885 - MultiBsplineRef.hpp:276-286 - exec1.171.02
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.211.7310.3
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec11.049.69
Loop 2732 - SoaDistanceTableABOMPTarget.h:214-228 - exec+11.029.67
Loop 2731 - SoaDistanceTableABOMPTarget.h:215-228 - exec+11.029.67
Loop 2733 - SoaDistanceTableABOMPTarget.h:228-228 - exec11.029.67
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.210.839.51
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec4.794.21
Loop 2289 - SoaDistanceTableAAOMPTarget.h:440-442 - exec4.794.2
unknown_functionUnknown module2.231.95
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec1.871.64
Loop 340 - TwoBodyJastrowRef.h:107-132 - exec+1.821.59
Loop 341 - TwoBodyJastrowRef.h:127-132 - exec+1.821.59
Loop 342 - BsplineFunctor.h:236-241 - exec1.691.48
Loop 343 - BsplineFunctor.h:246-260 - exec0.130.11
qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)+exec1.551.36
Loop 2407 - ParticleBConds3DSoa.h:237-255 - exec0.810.72
Loop 2408 - ParticleBConds3DSoa.h:237-255 - exec0.710.63
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.321.16
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec0.970.86
Loop 568 - TwoBodyJastrowRef.h:320-355 - exec+0.550.48
Loop 570 - TwoBodyJastrowRef.h:342-347 - exec0.550.48
Loop 571 - TwoBodyJastrowRef.h:324-331 - exec0.410.36
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.20.930.82
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec0.890.78
Loop 889 - einspline_spo_ref.hpp:219-227 - exec+0.890.78
Loop 890 - einspline_spo_ref.hpp:223-227 - exec0.890.78
Loop 891 - einspline_spo_ref.hpp:206-207 - exec0.010
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.20.690.61
miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool)+exec0.680.6
Loop 564 - TwoBodyJastrowRef.h:269-271 - exec+0.630.55
Loop 565 - BsplineFunctor.h:291-298 - exec0.560.49
Loop 567 - BsplineFunctor.h:305-336 - exec0.060.05
Loop 566 - BsplineFunctor.h:305-336 - exec0.010.01
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.520.45
Loop 980 - DiracDeterminantRef.cpp:173-178 - exec+0.510.45
Loop 981 - inner_product.hpp:155-155 - exec0.270.23
Loop 982 - inner_product.hpp:82-83 - exec0.240.22
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.430.37
Loop 572 - TwoBodyJastrowRef.h:150-157 - exec+0.330.29
Loop 573 - TwoBodyJastrowRef.h:155-156 - exec0.330.29
Loop 574 - stl_numeric.h:140-141 - exec0.10.08
miniqmcreference::DiracDeterminantRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.390.35
Loop 975 - SPOSet.h:83-86 - exec+0.380.33
Loop 976 - inner_product.hpp:82-83 - exec0.380.33
unknown_kernel_regionkernel0.350.31
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.250.22
Loop 977 - inner_product.hpp:155-155 - exec0.250.22
miniqmcreference::DiracDeterminantRef >::invertPsiM(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&)+exec0.230.2
Loop 995 - inner_product.hpp:210-212 - exec+0.230.2
Loop 996 - inner_product.hpp:211-212 - exec0.230.2
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.20.17
Loop 971 - inner_product.hpp:155-155 - exec0.10.09
Loop 972 - inner_product.hpp:82-83 - exec0.090.08
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.170.15
miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)+exec0.170.15
Loop 575 - TwoBodyJastrowRef.h:268-402 - exec+0.180.13
Loop 581 - TwoBodyJastrowRef.h:268-402 - exec+0.180.13
Loop 580 - TwoBodyJastrowRef.h:377-383 - exec+0.070.06
Loop 587 - TwoBodyJastrowRef.h:381-382 - exec0.070.06
Loop 579 - TwoBodyJastrowRef.h:269-271 - exec+0.060.04
Loop 590 - BsplineFunctor.h:291-298 - exec0.050.04
Loop 592 - BsplineFunctor.h:305-336 - exec0.010
Loop 584 - TwoBodyJastrowRef.h:375-402 - exec+0.030.02
Loop 585 - TwoBodyJastrowRef.h:397-398 - exec0.030.02
Loop 588 - TwoBodyJastrowRef.h:375-376 - exec0.010
Loop 586 - TwoBodyJastrowRef.h:388-391 - exec0.010.01
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)+exec0.130.11
Loop 2540 - ParticleBConds3DSoa.h:237-255 - exec0.070.06
Loop 2539 - ParticleBConds3DSoa.h:237-255 - exec0.050.04
mkl_lapack_xdlaswplibmkl_core.so.20.120.11
qmcplusplus::SoaDistanceTableAAOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec0.10.09
Loop 2358 - SoaDistanceTableAAOMPTarget.h:184-185 - exec+0.10.08
Loop 2359 - ParticleBConds3DSoa.h:237-255 - exec0.10.08
f64xsubf128libm-2.28.so0.10.09
gomp_team_barrier_wait_endlibgomp.so.1.0.00.070.06
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.070.06
Loop 998 - DiracDeterminantRef.cpp:247-252 - exec+0.070.05
Loop 1000 - inner_product.hpp:155-155 - exec0.050.04
Loop 999 - inner_product.hpp:82-83 - exec0.020.01
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.070.06
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.060.05
Loop 692 - OneBodyJastrowRef.h:184-194 - exec+0.030.03
Loop 694 - OneBodyJastrowRef.h:192-193 - exec0.030.03
Loop 695 - OneBodyJastrowRef.h:186-187 - exec0.020.01
Loop 693 - stl_numeric.h:140-141 - exec0.010
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.050.04
Loop 258 - OneBodyJastrowRef.h:134-155 - exec+0.020.02
Loop 260 - OneBodyJastrowRef.h:143-146 - exec+0.020.02
Loop 261 - BsplineFunctor.h:236-241 - exec0.020.02
main._omp_fn.1+exec0.050.04
Loop 65 - stl_algobase.h:918-1129 - exec+0.010
Loop 74 - new_allocator.h:88-168 - exec+0.010
Loop 102 - RandomGenerator.h:51-60 - exec+0.010
Loop 107 - miniqmc.cpp:429-458 - exec0.010
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.040.03
__dynamic_castlibstdc++.so.6.0.310.030.03
qmcplusplus::TimerType::start()exec0.030.03
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.030.02
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.020.02
gomp_ialias_omp_get_levellibgomp.so.1.0.00.020.02
unknown_functionexec0.020.02
qmcplusplus::TimerType::stop()exec0.020.01
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
mkl_blas_errchk_dgerlibmkl_intel_lp64.so.20.010.01
mkl_blas_avx512_d_generic_fullacopybcopylibmkl_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::ParticleSet::update(bool)+exec0.010.01
Loop 1235 - stl_vector.h:988-988 - exec0.010
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.010.01
Loop 1007 - stl_algobase.h:262-1129 - exec+0.010.01
Loop 1010 - stl_algobase.h:918-919 - exec0.010.01
gomp_barrier_wait_endlibgomp.so.1.0.00.010.01
miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)exec0.010.01
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constexec0.010.01
mkl_blas_xdgerlibmkl_core.so.20.010
mkl_blas_errchk_dgemvlibmkl_intel_lp64.so.20.010
mkl_serv_lsamelibmkl_core.so.20.010
mkl_blas_dgemmlibmkl_sequential.so.20.010
mkl_blas_dgemvlibmkl_sequential.so.20.010
mkl_serv_set_xerbla_interfacelibmkl_sequential.so.20.010
mkl_blas_avx512_xdgemm_nocopy_driverlibmkl_avx512.so.20.010
operator new(unsigned long)libstdc++.so.6.0.310.010
qmcplusplus::VirtualParticleSet::makeMoves(qmcplusplus::ParticleSet const&, int, std::vector, std::allocator > > const&, bool, int)exec0.010
qmcplusplus::ParticleSet::acceptMove(int)exec0.010
qmcplusplus::ParticleSet::getDistTableAB(int) constexec0.010
gomp_ialias_omp_get_ancestor_thread_numlibgomp.so.1.0.00.010
miniqmcreference::OneBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*) [clone .isra.0]exec0.010
qmcplusplus::WaveFunction::acceptMove(qmcplusplus::ParticleSet&, int)exec0.010
.plt.sec@startlibgomp.so.1.0.00.010
mkl_blas_avx512_xdgerlibmkl_avx512.so.200
mkl_blas_avx512_xdgemvlibmkl_avx512.so.200
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