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Profiling node o405 - process 152934 - thread 152954

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+libqmcwfs.so24.0527.61
Loop 687 - einspline_spo_ref.hpp:175-176 - libqmcwfs.so+24.0227.58
Loop 689 - MultiBsplineRef.hpp:63-71 - libqmcwfs.so+24.0227.58
Loop 688 - MultiBsplineRef.hpp:64-71 - libqmcwfs.so+24.0227.58
Loop 690 - MultiBsplineRef.hpp:68-71 - libqmcwfs.so24.0227.58
void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)+libqmcwfs.so20.5123.55
Loop 694 - MultiBsplineRef.hpp:226-262 - libqmcwfs.so+19.422.28
Loop 693 - MultiBsplineRef.hpp:227-262 - libqmcwfs.so+19.422.28
Loop 692 - MultiBsplineRef.hpp:239-262 - libqmcwfs.so19.422.28
Loop 691 - MultiBsplineRef.hpp:276-286 - libqmcwfs.so1.061.22
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.212.6614.54
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.212.5614.43
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+libqmcparticle_omptarget.so8.539.8
Loop 479 - SoaDistanceTableABOMPTarget.h:214-228 - libqmcparticle_omptarget.so+8.529.78
Loop 478 - ParticleBConds3DSoa.h:280-298 - libqmcparticle_omptarget.so+8.529.78
Loop 480 - ParticleBConds3DSoa.h:280-298 - libqmcparticle_omptarget.so8.529.78
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+libqmcparticle_omptarget.so5.846.7
Loop 226 - SoaDistanceTableAAOMPTarget.h:440-442 - libqmcparticle_omptarget.so5.836.69
unknown_functionUnknown module2.52.87
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+libqmcwfs.so1.852.13
Loop 563 - TwoBodyJastrowRef.h:107-132 - libqmcwfs.so+1.832.1
Loop 564 - BsplineFunctor.h:232-260 - libqmcwfs.so+1.832.1
Loop 565 - BsplineFunctor.h:236-241 - libqmcwfs.so1.752.01
Loop 566 - BsplineFunctor.h:246-260 - libqmcwfs.so0.080.09
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+libqmcparticle_omptarget.so1.551.78
Loop 441 - ParticleBConds3DSoa.h:237-255 - libqmcparticle_omptarget.so1.551.78
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.481.7
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+libqmcwfs.so1.091.25
Loop 492 - TwoBodyJastrowRef.h:320-355 - libqmcwfs.so+0.710.82
Loop 494 - TwoBodyJastrowRef.h:342-347 - libqmcwfs.so0.710.82
Loop 495 - TwoBodyJastrowRef.h:324-331 - libqmcwfs.so0.340.39
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.20.941.08
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.20.891.03
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+libqmcwfs.so0.860.99
Loop 695 - einspline_spo_ref.hpp:219-227 - libqmcwfs.so+0.860.98
Loop 696 - einspline_spo_ref.hpp:223-227 - libqmcwfs.so0.860.98
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+libqmcwfs.so0.820.94
Loop 556 - TwoBodyJastrowRef.h:269-271 - libqmcwfs.so+0.370.43
Loop 557 - BsplineFunctor.h:291-298 - libqmcwfs.so0.340.4
Loop 559 - BsplineFunctor.h:305-336 - libqmcwfs.so0.030.03
Loop 553 - TwoBodyJastrow.h:150-157 - libqmcwfs.so+0.330.38
Loop 554 - TwoBodyJastrow.h:155-156 - libqmcwfs.so0.330.38
Loop 555 - stl_numeric.h:140-141 - libqmcwfs.so0.060.06
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+libqmcwfs.so0.640.74
Loop 741 - DiracDeterminantRef.cpp:173-178 - libqmcwfs.so+0.640.74
Loop 742 - OperatorTags.h:63-94 - libqmcwfs.so0.360.41
Loop 743 - inner_product.hpp:82-83 - libqmcwfs.so0.280.33
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+libqmcwfs.so0.330.37
Loop 746 - OperatorTags.h:63-94 - libqmcwfs.so0.330.37
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+libqmcwfs.so0.270.31
Loop 40 - SPOSet.h:83-88 - libqmcwfs.so+0.260.29
Loop 41 - inner_product.hpp:82-83 - libqmcwfs.so0.260.29
miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool)+libqmcwfs.so0.260.3
Loop 488 - TwoBodyJastrowRef.h:269-271 - libqmcwfs.so+0.230.28
Loop 489 - BsplineFunctor.h:291-298 - libqmcwfs.so0.20.24
Loop 491 - BsplineFunctor.h:305-336 - libqmcwfs.so0.030.04
unknown_kernel_regionkernel0.240.28
qmcplusplus::SoaDistanceTableAAOMPTarget::evaluate(qmcplusplus::ParticleSet&)+libqmcparticle_omptarget.so0.240.27
Loop 257 - SoaDistanceTableAAOMPTarget.h:184-187 - libqmcparticle_omptarget.so+0.240.27
Loop 258 - ParticleBConds3DSoa.h:237-255 - libqmcparticle_omptarget.so0.240.27
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+libqmcwfs.so0.240.27
Loop 710 - inner_product.hpp:210-212 - libqmcwfs.so+0.240.27
Loop 711 - inner_product.hpp:211-212 - libqmcwfs.so0.240.27
mkl_lapack_xdlaswplibmkl_core.so.20.210.24
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+libqmcwfs.so0.130.15
Loop 747 - DiracDeterminantRef.cpp:247-252 - libqmcwfs.so+0.140.15
Loop 749 - OperatorTags.h:63-94 - libqmcwfs.so0.10.11
Loop 748 - inner_product.hpp:82-83 - libqmcwfs.so0.040.04
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+libqmcwfs.so0.130.15
Loop 441 - TwoBodyJastrowRef.h:423-431 - libqmcwfs.so1.551.78
Loop 451 - TwoBodyJastrowRef.h:254-398 - libqmcwfs.so+0.130.14
Loop 457 - TwoBodyJastrowRef.h:268-398 - libqmcwfs.so+0.120.13
Loop 455 - TwoBodyJastrowRef.h:269-271 - libqmcwfs.so+0.050.05
Loop 466 - BsplineFunctor.h:291-298 - libqmcwfs.so0.050.05
Loop 460 - TwoBodyJastrowRef.h:361-398 - libqmcwfs.so+0.030.03
Loop 461 - TwoBodyJastrowRef.h:397-398 - libqmcwfs.so0.030.03
Loop 456 - TwoBodyJastrowRef.h:377-383 - libqmcwfs.so+0.030.04
Loop 463 - TwoBodyJastrowRef.h:381-382 - libqmcwfs.so0.030.04
Loop 465 - stl_numeric.h:140-141 - libqmcwfs.so0.010.01
Loop 454 - TwoBodyJastrowRef.h:254-398 - libqmcwfs.so+0.010.01
Loop 452 - TwoBodyJastrowRef.h:269-397 - libqmcwfs.so+0.010.01
Loop 478 - BsplineFunctor.h:305-336 - libqmcwfs.so0.010.01
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.120.14
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+libqmcwfs.so0.10.11
Loop 745 - inner_product.hpp:82-83 - libqmcwfs.so0.090.1
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.090.11
main._omp_fn.1+exec0.080.09
Loop 32 - - exec+0.010.01
Loop 40 - - exec0.010.01
qmcplusplus::TinyVector qmcplusplus::simd::dot(double const*, qmcplusplus::TinyVector const*, int)+libqmcwfs.so0.070.09
Loop 672 - inner_product.hpp:155-155 - libqmcwfs.so0.070.08
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+libqmcwfs.so0.070.09
Loop 653 - OneBodyJastrowRef.h:134-155 - libqmcwfs.so+0.040.05
Loop 655 - OneBodyJastrowRef.h:143-146 - libqmcwfs.so+0.040.05
Loop 656 - BsplineFunctor.h:236-241 - libqmcwfs.so0.040.05
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+libqmcwfs.so0.070.08
Loop 605 - OneBodyJastrow.h:188-194 - libqmcwfs.so+0.040.04
Loop 607 - OneBodyJastrow.h:192-193 - libqmcwfs.so0.040.04
Loop 608 - OneBodyJastrow.h:186-187 - libqmcwfs.so0.020.02
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.060.07
f64xsubf128libm-2.28.so0.050.06
gomp_team_barrier_wait_endlibgomp.so.1.0.00.040.04
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::TinyVector qmcplusplus::CrystalLattice::toUnit_floor(qmcplusplus::TinyVector const&) constlibqmcwfs.so0.030.03
__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.6.0.310.020.02
__dynamic_castlibstdc++.so.6.0.310.020.02
qmcplusplus::TimerType::start()libqmcutil.so0.020.02
mkl_blas_avx512_xdgerlibmkl_avx512.so.20.020.02
qmcplusplus::ParticleSet::update(bool)+libqmcparticle.so0.020.02
Loop 299 - stl_vector.h:988-988 - libqmcparticle.so0.020.02
miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particl...+libqmcwfs.so0.020.02
Loop 619 - OneBodyJastrowRef.h:109-237 - libqmcwfs.so+0.020.02
Loop 618 - OneBodyJastrow.h:188-194 - libqmcwfs.so+0.020.02
Loop 620 - OneBodyJastrow.h:193-193 - libqmcwfs.so0.020.02
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+libqmcwfs.so0.020.02
Loop 362 - BsplineFunctor.h:291-298 - libqmcwfs.so0.010.01
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)libqmcwfs.so0.020.02
__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::acceptMove(int)libqmcparticle.so0.010.01
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)libqmcparticle.so0.010.01
qmcplusplus::RealSpacePositionsOMPTarget::getAllParticlePos() constlibqmcparticle.so0.010.01
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)libqmcwfs.so0.010.01
unknown_functionlibqmcwfs.so0.010.01
mkl_blas_avx512_xdgemm_nocopy_driverlibmkl_avx512.so.20.010.01
mkl_blas_avx512_xdgemvlibmkl_avx512.so.20.010.01
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)libqmcparticle_omptarget.so0.010.01
gomp_barrier_wait_endlibgomp.so.1.0.00.010.01
qmcplusplus::VirtualParticleSet::makeMoves(qmcplusplus::ParticleSet const&, int, std::vector, std::allocator > > const&, bool, int)libqmcparticle.so0.010.01
gomp_ialias_omp_get_levellibgomp.so.1.0.00.010.01
qmcplusplus::Vector, std::allocator > >::resize(unsigned long, qmcplusplus::TinyVector)+libqmcwfs.so0.010.01
Loop 243 - stl_algobase.h:918-919 - libqmcwfs.so0.010.01
unknown_functionlibqmcutil.so0.010.01
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)libqmcparticle_omptarget.so00.01
qmcplusplus::TimerType::stop()+libqmcutil.so00.01
Loop 40 - NewTimer.cpp:99-101 - libqmcutil.so0.010.01
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