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Profiling node o404 - process 478874 - thread 479007

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+libqmcwfs.so23.8720.11
Loop 673 - einspline_spo_ref.hpp:175-176 - libqmcwfs.so+23.8520.09
Loop 675 - MultiBsplineRef.hpp:63-71 - libqmcwfs.so+23.8520.09
Loop 674 - MultiBsplineRef.hpp:64-71 - libqmcwfs.so+23.8520.09
Loop 676 - MultiBsplineRef.hpp:68-71 - libqmcwfs.so23.8520.09
void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)+libqmcwfs.so21.7618.33
Loop 680 - MultiBsplineRef.hpp:226-262 - libqmcwfs.so+20.5917.35
Loop 679 - MultiBsplineRef.hpp:227-262 - libqmcwfs.so+20.5917.35
Loop 678 - MultiBsplineRef.hpp:239-262 - libqmcwfs.so20.5917.35
Loop 677 - MultiBsplineRef.hpp:276-286 - libqmcwfs.so1.130.96
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.211.579.75
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+libqmcparticle_omptarget.so11.289.51
Loop 439 - SoaDistanceTableABOMPTarget.h:214-228 - libqmcparticle_omptarget.so+11.279.49
Loop 438 - ParticleBConds3DSoa.h:280-298 - libqmcparticle_omptarget.so+11.279.49
Loop 440 - ParticleBConds3DSoa.h:280-298 - libqmcparticle_omptarget.so11.279.49
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.210.969.24
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+libqmcparticle_omptarget.so4.964.18
Loop 184 - SoaDistanceTableAAOMPTarget.h:440-442 - libqmcparticle_omptarget.so4.944.16
unknown_functionUnknown module2.231.88
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+libqmcparticle_omptarget.so1.961.65
Loop 479 - ParticleBConds3DSoa.h:237-255 - libqmcparticle_omptarget.so1.951.64
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+libqmcwfs.so1.641.38
Loop 556 - TwoBodyJastrowRef.h:107-132 - libqmcwfs.so+1.61.35
Loop 557 - BsplineFunctor.h:232-260 - libqmcwfs.so+1.61.35
Loop 558 - BsplineFunctor.h:236-241 - libqmcwfs.so1.481.25
Loop 559 - BsplineFunctor.h:249-260 - libqmcwfs.so0.120.1
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.451.22
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+libqmcwfs.so0.980.82
Loop 547 - TwoBodyJastrow.h:150-157 - libqmcwfs.so+0.460.39
Loop 548 - TwoBodyJastrow.h:155-156 - libqmcwfs.so0.460.39
Loop 550 - TwoBodyJastrowRef.h:269-271 - libqmcwfs.so+0.420.35
Loop 551 - BsplineFunctor.h:291-298 - libqmcwfs.so0.350.29
Loop 552 - BsplineFunctor.h:305-336 - libqmcwfs.so0.070.06
Loop 549 - stl_numeric.h:140-141 - libqmcwfs.so0.070.06
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.20.90.76
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+libqmcwfs.so0.880.74
Loop 487 - TwoBodyJastrowRef.h:320-355 - libqmcwfs.so+0.510.43
Loop 489 - TwoBodyJastrowRef.h:344-347 - libqmcwfs.so0.510.43
Loop 490 - TwoBodyJastrowRef.h:324-331 - libqmcwfs.so0.340.29
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+libqmcwfs.so0.80.67
Loop 681 - einspline_spo_ref.hpp:219-227 - libqmcwfs.so+0.780.66
Loop 682 - einspline_spo_ref.hpp:223-227 - libqmcwfs.so0.780.66
Loop 683 - einspline_spo_ref.hpp:206-207 - libqmcwfs.so0.010.01
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.20.720.61
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+libqmcwfs.so0.590.5
Loop 726 - DiracDeterminantRef.cpp:173-178 - libqmcwfs.so+0.590.5
Loop 727 - OperatorTags.h:63-94 - libqmcwfs.so0.430.36
Loop 728 - inner_product.hpp:82-83 - libqmcwfs.so0.160.14
unknown_kernel_regionkernel0.530.45
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+libqmcwfs.so0.420.35
Loop 40 - SPOSet.h:83-88 - libqmcwfs.so+0.420.35
Loop 41 - inner_product.hpp:82-83 - libqmcwfs.so0.420.35
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+libqmcwfs.so0.370.32
Loop 731 - OperatorTags.h:63-94 - libqmcwfs.so0.360.31
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+libqmcwfs.so0.240.2
Loop 696 - inner_product.hpp:210-212 - libqmcwfs.so+0.240.2
Loop 695 - inner_product.hpp:211-212 - libqmcwfs.so0.240.2
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+libqmcwfs.so0.20.17
Loop 440 - TwoBodyJastrowRef.h:423-431 - libqmcwfs.so11.279.49
Loop 450 - TwoBodyJastrowRef.h:254-398 - libqmcwfs.so+0.190.18
Loop 456 - TwoBodyJastrowRef.h:268-398 - libqmcwfs.so+0.190.18
Loop 455 - TwoBodyJastrowRef.h:377-383 - libqmcwfs.so+0.10.09
Loop 462 - TwoBodyJastrowRef.h:381-382 - libqmcwfs.so0.10.09
Loop 454 - TwoBodyJastrowRef.h:269-271 - libqmcwfs.so+0.050.05
Loop 465 - BsplineFunctor.h:291-298 - libqmcwfs.so0.040.04
Loop 466 - BsplineFunctor.h:305-336 - libqmcwfs.so0.010.01
Loop 459 - TwoBodyJastrowRef.h:361-398 - libqmcwfs.so+0.020.02
Loop 460 - TwoBodyJastrowRef.h:397-398 - libqmcwfs.so0.020.02
Loop 463 - TwoBodyJastrowRef.h:375-376 - libqmcwfs.so0.010.01
Loop 461 - TwoBodyJastrowRef.h:388-391 - libqmcwfs.so0.010.01
miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool)+libqmcwfs.so0.20.16
Loop 484 - TwoBodyJastrowRef.h:269-271 - libqmcwfs.so+0.20.17
Loop 485 - BsplineFunctor.h:291-298 - libqmcwfs.so0.170.14
Loop 486 - BsplineFunctor.h:305-336 - libqmcwfs.so0.030.03
qmcplusplus::SoaDistanceTableAAOMPTarget::evaluate(qmcplusplus::ParticleSet&)+libqmcparticle_omptarget.so0.140.12
Loop 260 - SoaDistanceTableAAOMPTarget.h:184-187 - libqmcparticle_omptarget.so+0.140.12
Loop 261 - ParticleBConds3DSoa.h:237-255 - libqmcparticle_omptarget.so0.140.12
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.120.1
qmcplusplus::TinyVector qmcplusplus::simd::dot(double const*, qmcplusplus::TinyVector const*, int)+libqmcwfs.so0.120.1
Loop 658 - inner_product.hpp:155-155 - libqmcwfs.so0.120.1
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.110.1
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+libqmcwfs.so0.10.09
Loop 732 - DiracDeterminantRef.cpp:247-252 - libqmcwfs.so+0.10.08
Loop 734 - OperatorTags.h:63-94 - libqmcwfs.so0.080.06
Loop 733 - inner_product.hpp:82-83 - libqmcwfs.so0.020.02
main._omp_fn.1+exec0.090.08
Loop 38 - - exec+0.440.37
Loop 41 - - exec0.420.35
Loop 40 - - exec+0.020.02
Loop 48 - - exec0.010.01
Loop 70 - - exec+0.010.01
Loop 75 - - exec0.010.01
mkl_lapack_xdlaswplibmkl_core.so.20.090.08
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+libqmcwfs.so0.090.08
Loop 730 - inner_product.hpp:82-83 - libqmcwfs.so0.080.07
gomp_team_barrier_wait_endlibgomp.so.1.0.00.060.05
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+libqmcwfs.so0.060.05
Loop 639 - OneBodyJastrowRef.h:134-155 - libqmcwfs.so+0.050.04
Loop 641 - OneBodyJastrowRef.h:143-146 - libqmcwfs.so+0.050.04
Loop 642 - BsplineFunctor.h:236-241 - libqmcwfs.so0.050.04
__dynamic_castlibstdc++.so.6.0.310.040.04
f64xsubf128libm-2.28.so0.040.04
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+libqmcwfs.so0.040.03
Loop 597 - OneBodyJastrow.h:188-194 - libqmcwfs.so+0.020.02
Loop 599 - OneBodyJastrow.h:192-193 - libqmcwfs.so0.020.02
Loop 600 - OneBodyJastrow.h:186-187 - libqmcwfs.so0.010.01
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.030.03
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.020.02
__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.6.0.310.020.02
qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)+libqmcwfs.so0.020.02
Loop 205 - stl_vector.h:988-988 - libqmcwfs.so0.020.02
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)libqmcparticle_omptarget.so0.020.02
gomp_ialias_omp_get_levellibgomp.so.1.0.00.020.02
qmcplusplus::Vector, std::allocator > >::resize(unsigned long, qmcplusplus::TinyVector)+libqmcwfs.so0.020.02
Loop 244 - stl_algobase.h:918-919 - libqmcwfs.so0.020.02
mkl_blas_avx512_xdgerlibmkl_avx512.so.20.010.01
__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.6.0.310.010.01
qmcplusplus::ParticleSet::update(bool)+libqmcparticle.so0.010.01
Loop 295 - stl_vector.h:988-988 - libqmcparticle.so0.010.01
qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)libqmcparticle_omptarget.so0.010.01
miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particl...+libqmcwfs.so0.010.01
Loop 611 - OneBodyJastrowRef.h:109-237 - libqmcwfs.so+0.020.02
Loop 610 - OneBodyJastrow.h:188-194 - libqmcwfs.so+0.010.01
Loop 612 - OneBodyJastrow.h:193-193 - libqmcwfs.so0.010.01
Loop 609 - stl_numeric.h:141-141 - libqmcwfs.so0.010.01
qmcplusplus::OneBodyJastrow >::evalGrad(qmcplusplus::ParticleSet&, int)libqmcwfs.so0.010.01
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)libqmcwfs.so0.010.01
qmcplusplus::TimerType::stop()+libqmcutil.so0.010.01
Loop 40 - NewTimer.cpp:99-101 - libqmcutil.so0.010.01
DGEMMlibmkl_intel_lp64.so.20.010.01
mkl_blas_xdgemvlibmkl_core.so.20.010.01
mkl_serv_lsamelibmkl_core.so.20.010.01
mkl_serv_deallocatelibmkl_core.so.20.010.01
mkl_blas_dgerlibmkl_sequential.so.20.010.01
mkl_set_xerbla_interfacelibmkl_intel_lp64.so.20.010.01
getPointer_bufferlibmkl_avx512.so.20.010.01
mkl_blas_avx512_xdgemm_nocopy_driverlibmkl_avx512.so.20.010.01
mkl_blas_avx512_xdgemvlibmkl_avx512.so.20.010.01
gomp_barrier_wait_endlibgomp.so.1.0.00.010.01
qmcplusplus::ParticleSet::acceptMove(int)libqmcparticle.so0.010.01
miniqmcreference::DiracDeterminantRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)libqmcwfs.so0.010.01
void qmcplusplus::DelayedUpdate::acceptRow > >(qmcplusplus::Matrix >&, int, qmcplusplus::Vector > const&)libqmcwfs.so0.010.01
qmcplusplus::RealSpacePositions::setAllParticlePos(qmcplusplus::ParticleAttrib, std::allocator > > const&)libqmcparticle.so0.010.01
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)+libqmcwfs.so0.010.01
Loop 596 - OneBodyJastrowRef.h:214-218 - libqmcwfs.so0.010.01
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+libqmcwfs.so0.010.01
Loop 330 - BsplineFunctor.h:291-298 - libqmcwfs.so0.010.01
qmcplusplus::TwoBodyJastrow >::evalGrad(qmcplusplus::ParticleSet&, int)libqmcwfs.so0.010.01
qmcplusplus::BsplineAllocator >::setCoefficientsForOrbitals(int, int, Array&, multi_UBspline_3d_d*) [clone ._omp_fn.0] [clone .lto_priv.0]libqmcwfs.so0.010.01
qmcplusplus::TimerType::start()libqmcutil.so0.010.01
unknown_functionlibqmcutil.so0.010.01
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.200
qmcplusplus::TinyVector qmcplusplus::CrystalLattice::toUnit_floor(qmcplusplus::TinyVector const&) constlibqmcwfs.so00
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