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Profiling node o404 - process 478875 - thread 479028

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+libqmcwfs.so24.6720.58
Loop 673 - einspline_spo_ref.hpp:175-176 - libqmcwfs.so+24.6320.54
Loop 675 - MultiBsplineRef.hpp:63-71 - libqmcwfs.so+24.6320.54
Loop 674 - MultiBsplineRef.hpp:64-71 - libqmcwfs.so+24.6320.54
Loop 676 - MultiBsplineRef.hpp:68-71 - libqmcwfs.so24.6320.54
void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)+libqmcwfs.so21.1417.63
Loop 680 - MultiBsplineRef.hpp:226-262 - libqmcwfs.so+19.916.6
Loop 679 - MultiBsplineRef.hpp:227-262 - libqmcwfs.so+19.916.6
Loop 678 - MultiBsplineRef.hpp:239-262 - libqmcwfs.so19.916.6
Loop 677 - MultiBsplineRef.hpp:276-286 - libqmcwfs.so1.190.99
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.211.569.64
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+libqmcparticle_omptarget.so11.59.59
Loop 439 - SoaDistanceTableABOMPTarget.h:214-228 - libqmcparticle_omptarget.so+11.479.57
Loop 438 - ParticleBConds3DSoa.h:280-298 - libqmcparticle_omptarget.so+11.479.57
Loop 440 - ParticleBConds3DSoa.h:280-298 - libqmcparticle_omptarget.so11.479.57
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.210.99.09
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+libqmcparticle_omptarget.so5.14.25
Loop 184 - SoaDistanceTableAAOMPTarget.h:440-442 - libqmcparticle_omptarget.so5.094.25
unknown_functionUnknown module2.151.8
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+libqmcparticle_omptarget.so1.791.49
Loop 479 - ParticleBConds3DSoa.h:237-255 - libqmcparticle_omptarget.so1.771.48
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+libqmcwfs.so1.741.45
Loop 556 - TwoBodyJastrowRef.h:107-132 - libqmcwfs.so+1.661.39
Loop 557 - BsplineFunctor.h:232-260 - libqmcwfs.so+1.661.39
Loop 558 - BsplineFunctor.h:236-241 - libqmcwfs.so1.551.3
Loop 559 - BsplineFunctor.h:249-260 - libqmcwfs.so0.110.09
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.291.08
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+libqmcwfs.so0.940.78
Loop 487 - TwoBodyJastrowRef.h:320-355 - libqmcwfs.so+0.550.46
Loop 489 - TwoBodyJastrowRef.h:344-347 - libqmcwfs.so0.550.46
Loop 490 - TwoBodyJastrowRef.h:324-331 - libqmcwfs.so0.370.31
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+libqmcwfs.so0.940.78
Loop 547 - TwoBodyJastrow.h:150-157 - libqmcwfs.so+0.460.38
Loop 548 - TwoBodyJastrow.h:155-156 - libqmcwfs.so0.460.38
Loop 550 - TwoBodyJastrowRef.h:269-271 - libqmcwfs.so+0.40.33
Loop 551 - BsplineFunctor.h:291-298 - libqmcwfs.so0.30.25
Loop 552 - BsplineFunctor.h:305-336 - libqmcwfs.so0.10.08
Loop 549 - stl_numeric.h:140-141 - libqmcwfs.so0.070.06
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.20.850.71
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+libqmcwfs.so0.840.7
Loop 681 - einspline_spo_ref.hpp:219-227 - libqmcwfs.so+0.830.69
Loop 682 - einspline_spo_ref.hpp:223-227 - libqmcwfs.so0.830.69
Loop 683 - einspline_spo_ref.hpp:206-207 - libqmcwfs.so0.010.01
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.20.610.51
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+libqmcwfs.so0.590.49
Loop 726 - DiracDeterminantRef.cpp:173-178 - libqmcwfs.so+0.590.49
Loop 727 - OperatorTags.h:63-94 - libqmcwfs.so0.370.31
Loop 728 - inner_product.hpp:82-83 - libqmcwfs.so0.220.18
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+libqmcwfs.so0.430.36
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.so0.360.3
Loop 731 - OperatorTags.h:63-94 - libqmcwfs.so0.360.3
miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool)+libqmcwfs.so0.260.22
Loop 484 - TwoBodyJastrowRef.h:269-271 - libqmcwfs.so+0.240.2
Loop 485 - BsplineFunctor.h:291-298 - libqmcwfs.so0.220.18
Loop 486 - BsplineFunctor.h:305-336 - libqmcwfs.so0.020.02
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+libqmcwfs.so0.230.2
Loop 696 - inner_product.hpp:210-212 - libqmcwfs.so+0.230.2
Loop 695 - inner_product.hpp:211-212 - libqmcwfs.so0.230.2
unknown_kernel_regionkernel0.230.19
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+libqmcwfs.so0.190.16
Loop 440 - TwoBodyJastrowRef.h:423-431 - libqmcwfs.so11.479.57
Loop 450 - TwoBodyJastrowRef.h:254-398 - libqmcwfs.so+0.180.16
Loop 456 - TwoBodyJastrowRef.h:268-398 - libqmcwfs.so+0.180.16
Loop 455 - TwoBodyJastrowRef.h:377-383 - libqmcwfs.so+0.070.06
Loop 462 - TwoBodyJastrowRef.h:381-382 - libqmcwfs.so0.070.06
Loop 454 - TwoBodyJastrowRef.h:269-271 - libqmcwfs.so+0.070.06
Loop 465 - BsplineFunctor.h:291-298 - libqmcwfs.so0.060.05
Loop 466 - BsplineFunctor.h:305-336 - libqmcwfs.so0.010.01
Loop 461 - TwoBodyJastrowRef.h:388-391 - libqmcwfs.so0.020.02
Loop 463 - TwoBodyJastrowRef.h:375-376 - libqmcwfs.so0.010.01
Loop 464 - stl_numeric.h:140-141 - libqmcwfs.so0.010.01
qmcplusplus::SoaDistanceTableAAOMPTarget::evaluate(qmcplusplus::ParticleSet&)+libqmcparticle_omptarget.so0.160.13
Loop 260 - SoaDistanceTableAAOMPTarget.h:184-187 - libqmcparticle_omptarget.so+0.160.13
Loop 261 - ParticleBConds3DSoa.h:237-255 - libqmcparticle_omptarget.so0.160.13
qmcplusplus::TinyVector qmcplusplus::simd::dot(double const*, qmcplusplus::TinyVector const*, int)+libqmcwfs.so0.130.11
Loop 658 - inner_product.hpp:155-155 - libqmcwfs.so0.120.1
f64xsubf128libm-2.28.so0.110.09
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.10.09
mkl_lapack_xdlaswplibmkl_core.so.20.10.08
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.10.08
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+libqmcwfs.so0.080.07
Loop 732 - DiracDeterminantRef.cpp:247-252 - libqmcwfs.so+0.090.08
Loop 734 - OperatorTags.h:63-94 - libqmcwfs.so0.080.07
Loop 733 - inner_product.hpp:82-83 - libqmcwfs.so0.010.01
main._omp_fn.1+exec0.080.07
Loop 38 - - exec+0.460.39
Loop 41 - - exec0.420.35
Loop 40 - - exec+0.040.04
Loop 70 - - exec+0.030.03
Loop 75 - - exec0.020.02
Loop 91 - - exec+0.010.01
Loop 92 - - exec0.010.01
Loop 48 - - exec0.010.01
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+libqmcwfs.so0.080.07
Loop 730 - inner_product.hpp:82-83 - libqmcwfs.so0.080.07
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+libqmcwfs.so0.080.07
Loop 597 - OneBodyJastrow.h:188-194 - libqmcwfs.so+0.020.02
Loop 599 - OneBodyJastrow.h:192-193 - libqmcwfs.so0.020.02
Loop 598 - stl_numeric.h:140-141 - libqmcwfs.so0.010.01
Loop 600 - OneBodyJastrow.h:186-187 - libqmcwfs.so0.010.01
gomp_team_barrier_wait_endlibgomp.so.1.0.00.050.04
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+libqmcwfs.so0.050.04
Loop 639 - OneBodyJastrowRef.h:134-155 - libqmcwfs.so+0.030.03
Loop 641 - OneBodyJastrowRef.h:143-146 - libqmcwfs.so+0.030.03
Loop 642 - BsplineFunctor.h:236-241 - libqmcwfs.so0.030.03
qmcplusplus::TimerType::stop()+libqmcutil.so0.040.03
Loop 40 - NewTimer.cpp:99-101 - libqmcutil.so0.010.01
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.040.03
qmcplusplus::TimerType::start()libqmcutil.so0.040.03
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)+libqmcwfs.so0.030.03
Loop 596 - OneBodyJastrowRef.h:214-218 - libqmcwfs.so0.030.03
qmcplusplus::Vector, std::allocator > >::resize(unsigned long, qmcplusplus::TinyVector)+libqmcwfs.so0.030.03
Loop 244 - stl_algobase.h:918-919 - libqmcwfs.so0.030.03
__dynamic_castlibstdc++.so.6.0.310.020.02
qmcplusplus::ParticleSet::acceptMove(int)libqmcparticle.so0.020.02
qmcplusplus::OneBodyJastrow >::evalGrad(qmcplusplus::ParticleSet&, int)libqmcwfs.so0.020.02
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_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::SoaDistanceTableABOMPTarget::update(int)+libqmcparticle_omptarget.so0.020.02
Loop 290 - stl_algo.h:731-757 - libqmcparticle_omptarget.so0.010.01
miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particl...+libqmcwfs.so0.020.02
Loop 611 - OneBodyJastrowRef.h:109-237 - libqmcwfs.so+0.020.02
Loop 610 - OneBodyJastrow.h:188-194 - libqmcwfs.so+0.020.02
Loop 612 - OneBodyJastrow.h:193-193 - libqmcwfs.so0.020.02
unknown_functionlibqmcparticle_omptarget.so0.020.02
mkl_blas_xdgemvlibmkl_core.so.20.010.01
mkl_blas_avx512_xdswaplibmkl_avx512.so.20.010.01
mkl_blas_avx512_xdgerlibmkl_avx512.so.20.010.01
miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)libqmcwfs.so0.010.01
miniqmcreference::DiracDeterminantRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)libqmcwfs.so0.010.01
qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)libqmcparticle_omptarget.so0.010.01
qmcplusplus::RealSpacePositionsOMPTarget::setOneParticlePos(qmcplusplus::TinyVector const&, unsigned long)libqmcparticle.so0.010.01
qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)+libqmcwfs.so0.010.01
Loop 205 - stl_vector.h:988-988 - libqmcwfs.so0.010.01
DGEMVlibmkl_intel_lp64.so.20.010.01
mkl_blas_errchk_dgemvlibmkl_intel_lp64.so.20.010.01
mkl_serv_deallocatelibmkl_core.so.20.010.01
mkl_blas_dgerlibmkl_sequential.so.20.010.01
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.010.01
mkl_blas_avx512_xdgemmlibmkl_avx512.so.20.010.01
getPointer_notranslibmkl_avx512.so.20.010.01
mkl_blas_avx512_dgemm_initialize_kernel_infolibmkl_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
__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
operator new(unsigned long)libstdc++.so.6.0.310.010.01
operator delete(void*)libstdc++.so.6.0.310.010.01
.plt.sec@startlibstdc++.so.6.0.310.010.01
gomp_barrier_wait_endlibgomp.so.1.0.00.010.01
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)libqmcparticle_omptarget.so0.010.01
qmcplusplus::VirtualParticleSet::makeMoves(qmcplusplus::ParticleSet const&, int, std::vector, std::allocator > > const&, bool, int)libqmcparticle.so0.010.01
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)libqmcparticle.so0.010.01
qmcplusplus::ParticleSet::getDistTableAB(int) constlibqmcparticle.so0.010.01
gomp_ialias_omp_get_levellibgomp.so.1.0.00.010.01
qmcplusplus::RealSpacePositionsOMPTarget::getAllParticlePos() constlibqmcparticle.so0.010.01
void qmcplusplus::DelayedUpdate::acceptRow > >(qmcplusplus::Matrix >&, int, qmcplusplus::Vector > const&)libqmcwfs.so0.010.01
void qmcplusplus::DelayedUpdate::getInvRow > >(qmcplusplus::Matrix > const&, int, qmcplusplus::Vector >&)libqmcwfs.so0.010.01
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...libqmcwfs.so0.010.01
pthread_spin_locklibpthread-2.28.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::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)libqmcwfs.so0.010.01
spline2::MultiBsplineData::compute_prefactors(double*, double*, double*, double)libqmcwfs.so0.010.01
qmcplusplus::TinyVector qmcplusplus::CrystalLattice::toUnit_floor(qmcplusplus::TinyVector const&) constlibqmcwfs.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
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