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Profiling node o404 - process 186839 - thread 186982

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec27.4521.76
Loop 765 - MultiBsplineRef.hpp:42-71 - exec+27.4221.73
Loop 766 - MultiBsplineRef.hpp:63-71 - exec+27.4221.73
Loop 767 - MultiBsplineRef.hpp:64-71 - exec+27.4221.73
Loop 768 - MultiBsplineRef.hpp:68-70 - exec27.4221.73
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec18.0214.28
Loop 771 - MultiBsplineRef.hpp:187-286 - exec+15.4212.22
Loop 773 - MultiBsplineRef.hpp:226-262 - exec+14.9711.87
Loop 774 - MultiBsplineRef.hpp:227-262 - exec+14.9711.87
Loop 778 - MultiBsplineRef.hpp:242-262 - exec+14.9711.87
Loop 780 - MultiBsplineRef.hpp:242-262 - exec8.056.38
Loop 779 - MultiBsplineRef.hpp:242-261 - exec6.925.49
Loop 772 - MultiBsplineRef.hpp:276-286 - exec0.450.35
Loop 769 - einspline_spo_ref.hpp:219-227 - exec+0.980.77
Loop 770 - einspline_spo_ref.hpp:223-227 - exec0.980.77
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.211.639.22
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.211.359
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec10.047.96
Loop 1986 - SoaDistanceTableABOMPTarget.h:214-228 - exec+10.037.95
Loop 1988 - SoaDistanceTableABOMPTarget.h:215-228 - exec+10.037.95
Loop 1987 - SoaDistanceTableABOMPTarget.h:228-228 - exec10.037.95
Loop 1989 - SoaDistanceTableABOMPTarget.h:194-196 - exec0.010
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec5.44.28
Loop 1742 - SoaDistanceTableAAOMPTarget.h:440-442 - exec5.394.27
__intel_avx_rep_memset+exec1.961.55
Loop 2280 - - exec1.120.89
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec1.81.42
Loop 1244 - ParticleBConds3DSoa.h:235-256 - exec1.791.42
kmp_flag_64::wait(kmp_info*, int, void*)libiomp5.so1.571.25
qmcplusplus::BsplineFunctor::evaluateV(int, int, int, double const*, double*) const+exec1.561.24
Loop 274 - BsplineFunctor.h:236-241 - exec1.411.12
Loop 272 - BsplineFunctor.h:246-260 - exec0.110.09
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.41.11
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.20.830.66
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec0.810.64
Loop 295 - TwoBodyJastrowRef.h:324-349 - exec+0.540.43
Loop 297 - TwoBodyJastrowRef.h:342-347 - exec0.540.43
Loop 299 - TwoBodyJastrowRef.h:324-331 - exec0.240.19
Loop 301 - TwoBodyJastrowRef.h:269-274 - exec0.010
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.660.52
Loop 883 - inner_product.hpp:82-155 - exec+0.650.51
Loop 885 - inner_product.hpp:155-155 - exec0.420.33
Loop 887 - inner_product.hpp:82-83 - exec0.230.18
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.20.660.52
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.590.47
Loop 291 - TwoBodyJastrowRef.h:155-156 - exec0.20.16
Loop 287 - TwoBodyJastrowRef.h:155-156 - exec0.150.11
Loop 289 - TwoBodyJastrowRef.h:155-156 - exec0.150.12
Loop 293 - stl_numeric.h:126-127 - exec0.080.07
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.580.46
Loop 271 - BsplineFunctor.h:291-297 - exec0.470.37
Loop 269 - BsplineFunctor.h:303-338 - exec0.080.06
unknown_functionUnknown module0.540.42
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.520.41
Loop 872 - inner_product.hpp:155-155 - exec0.520.41
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.380.3
Loop 873 - inner_product.hpp:155-155 - exec0.280.22
Loop 876 - inner_product.hpp:82-83 - exec0.090.07
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+exec0.30.24
Loop 781 - inner_product.hpp:82-83 - exec+0.30.24
Loop 783 - inner_product.hpp:82-83 - exec0.30.24
unknown_kernel_regionkernel0.240.19
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.170.14
Loop 304 - TwoBodyJastrowRef.h:268-420 - exec+0.160.11
Loop 305 - stl_algobase.h:200-754 - exec+0.160.11
Loop 306 - TwoBodyJastrowRef.h:393-398 - exec0.080.06
Loop 314 - TwoBodyJastrowRef.h:381-382 - exec0.030.02
Loop 310 - TwoBodyJastrowRef.h:381-382 - exec0.030.02
Loop 312 - TwoBodyJastrowRef.h:381-382 - exec0.010.01
Loop 308 - TwoBodyJastrowRef.h:388-391 - exec0.010
__intel_avx_rep_memcpyexec0.160.13
mkl_lapack_xdlaswplibmkl_core.so.20.120.09
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.110.09
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.10.08
Loop 866 - inner_product.hpp:82-155 - exec+0.110.08
Loop 870 - inner_product.hpp:155-155 - exec0.080.06
Loop 868 - inner_product.hpp:82-83 - exec0.030.02
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+exec0.080.06
Loop 851 - inner_product.hpp:210-212 - exec+0.080.06
Loop 852 - inner_product.hpp:210-212 - exec+0.080.06
Loop 853 - inner_product.hpp:210-212 - exec+0.080.06
Loop 854 - inner_product.hpp:211-212 - exec0.080.06
qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)+exec0.060.04
Loop 51 - NonLocalPP.hpp:122-135 - exec+0.010
Loop 52 - NonLocalPP.hpp:126-135 - exec+0.010
Loop 53 - NonLocalPP.hpp:131-132 - exec0.010
qmcplusplus::TimerType::start()exec0.040.03
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.040.03
__kmp_api_omp_get_levellibiomp5.so0.040.03
qmcplusplus::Vector >::resize(unsigned long, double)+exec0.040.03
Loop 254 - stl_algobase.h:752-754 - exec0.040.03
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.040.03
__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.6.0.250.040.03
_dl_update_slotinfold-2.28.so0.040.03
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.040.03
Loop 212 - OneBodyJastrowRef.h:186-187 - exec0.010
Loop 204 - OneBodyJastrowRef.h:192-193 - exec0.010
Loop 202 - stl_numeric.h:126-127 - exec0.010
Loop 207 - OneBodyJastrowRef.h:192-193 - exec0.010
Loop 208 - OneBodyJastrowRef.h:192-193 - exec0.010
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.030.02
Loop 320 - TwoBodyJastrowRef.h:107-132 - exec+0.010.01
Loop 321 - TwoBodyJastrowRef.h:127-132 - exec0.010.01
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.030.02
qmcplusplus::ParticleSet::update(bool)+exec0.030.02
Loop 1090 - ParticleSet.cpp:242-243 - exec0.030.02
__tls_get_addrld-2.28.so0.030.02
__libm_exp_z0exec0.030.02
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.030.02
Loop 895 - stl_algobase.h:740-742 - exec0.030.02
__dynamic_castlibstdc++.so.6.0.250.030.02
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.020.02
kmp_flag_native::notdone_check()libiomp5.so0.020.02
qmcplusplus::TimerType::stop()exec0.020.02
update_get_addrld-2.28.so0.020.02
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.020.02
Loop 234 - OneBodyJastrowRef.h:109-194 - exec+0.030
Loop 240 - OneBodyJastrowRef.h:192-193 - exec0.010
Loop 239 - OneBodyJastrowRef.h:192-193 - exec0.010
Loop 246 - stl_numeric.h:126-127 - exec0.010
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.020.02
DGEMVlibmkl_intel_lp64.so.20.010.01
mkl_blas_avx512_xdscallibmkl_avx512.so.20.010.01
mkl_blas_avx512_xdgemm_nocopy_driverlibmkl_avx512.so.20.010.01
mkl_blas_avx512_xdgerlibmkl_avx512.so.20.010.01
__kmp_get_ancestor_thread_numlibiomp5.so0.010.01
__libm_logl_exexec0.010.01
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)exec0.010.01
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.010.01
qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.010.01
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)exec0.010.01
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)+exec0.010.01
Loop 268 - OneBodyJastrowRef.h:214-219 - exec0.010.01
DGEMMlibmkl_intel_lp64.so.20.010
mkl_blas_dgemvlibmkl_intel_thread.so.20.010
mkl_serv_set_xerbla_interfacelibmkl_intel_thread.so.20.010
mkl_serv_set_num_threads_locallibmkl_intel_thread.so.20.010
mkl_serv_deallocatelibmkl_core.so.20.010
mm_account_ptr_by_tidlibmkl_core.so.20.010
mkl_serv_allocatelibmkl_core.so.20.010
mkl_blas_avx512_xdgemvlibmkl_avx512.so.20.010
__kmp_get_global_thread_id_reglibiomp5.so0.010
__kmp_api_omp_in_parallellibiomp5.so0.010
qmcplusplus::RealSpacePositionsOMPTarget::getAllParticlePos() constexec0.010
qmcplusplus::Vector > >::resize(unsigned long, double)+exec0.010
Loop 942 - stl_algobase.h:752-754 - exec0.010
pthread_getspecific@pltlibmkl_intel_thread.so.20.010
miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)exec0.010
void qmcplusplus::DelayedUpdate::getInvRow > >(qmcplusplus::Matrix > const&, int, qmcplusplus::Vector >&)exec0.010
qmcplusplus::BsplineAllocator >::setCoefficientsForOrbitals(int, int, Array&, multi_UBspline_3d_d*) [clone .extracted]exec0.010
__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.6.0.250.010
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.010
qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.010
Loop 76 - WaveFunction.cpp:185-188 - exec0.010
main.extracted.110+exec0.010
Loop 24 - new_allocator.h:101-125 - exec+0.010
Loop 27 - miniqmc.cpp:425-461 - exec+0.010
Loop 28 - miniqmc.cpp:429-458 - exec0.010
.plt.sec@startlibstdc++.so.6.0.250.010
unknown_functionexec0.010
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