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Profiling node o401 - process 189700 - thread 189700

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec23.6126.57
Loop 745 - MultiBsplineRef.hpp:42-71 - exec+23.5426.5
Loop 746 - MultiBsplineRef.hpp:63-71 - exec+23.5426.5
Loop 747 - MultiBsplineRef.hpp:64-71 - exec+23.5426.5
Loop 748 - MultiBsplineRef.hpp:68-70 - exec23.5426.5
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec16.3718.43
Loop 751 - MultiBsplineRef.hpp:187-286 - exec+14.8416.7
Loop 754 - MultiBsplineRef.hpp:226-262 - exec+14.5716.4
Loop 755 - MultiBsplineRef.hpp:227-262 - exec+14.5716.4
Loop 760 - MultiBsplineRef.hpp:242-262 - exec+14.5716.4
Loop 762 - MultiBsplineRef.hpp:242-262 - exec10.6511.99
Loop 761 - MultiBsplineRef.hpp:242-261 - exec3.924.41
Loop 753 - MultiBsplineRef.hpp:276-286 - exec0.270.3
Loop 749 - einspline_spo_ref.hpp:219-227 - exec+0.760.86
Loop 750 - einspline_spo_ref.hpp:223-227 - exec0.760.86
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.214.4616.28
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.212.5214.09
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec8.629.7
Loop 1963 - SoaDistanceTableABOMPTarget.h:214-228 - exec+8.589.66
Loop 1965 - SoaDistanceTableABOMPTarget.h:215-228 - exec+8.589.66
Loop 1964 - SoaDistanceTableABOMPTarget.h:228-228 - exec8.589.66
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec6.927.78
Loop 1724 - SoaDistanceTableAAOMPTarget.h:440-442 - exec6.917.78
__intel_avx_rep_memset+exec2.152.41
Loop 2247 - - exec1.171.31
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec1.82.02
Loop 1227 - ParticleBConds3DSoa.h:235-256 - exec1.782.01
qmcplusplus::BsplineFunctor::evaluateV(int, int, int, double const*, double*) const+exec1.621.82
Loop 252 - BsplineFunctor.h:236-241 - exec1.51.69
Loop 250 - BsplineFunctor.h:246-260 - exec0.110.12
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.331.5
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec1.121.25
Loop 273 - TwoBodyJastrowRef.h:324-349 - exec+0.80.89
Loop 275 - TwoBodyJastrowRef.h:342-347 - exec0.80.89
Loop 278 - TwoBodyJastrowRef.h:324-331 - exec0.310.34
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.20.91.01
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.20.880.99
unknown_functionUnknown module0.740.83
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.730.83
Loop 248 - BsplineFunctor.h:291-298 - exec0.640.71
Loop 246 - BsplineFunctor.h:303-338 - exec0.060.07
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.590.67
Loop 853 - inner_product.hpp:155-155 - exec0.590.66
pthread_spin_locklibpthread-2.28.so0.590.66
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.510.57
Loop 864 - inner_product.hpp:82-155 - exec+0.510.58
Loop 866 - inner_product.hpp:155-155 - exec0.330.38
Loop 868 - inner_product.hpp:82-83 - exec0.180.2
kmp_flag_64::wait(kmp_info*, int, void*)libiomp5.so0.480.54
unknown_kernel_regionkernel0.450.51
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.440.49
Loop 265 - TwoBodyJastrowRef.h:155-156 - exec0.140.15
Loop 269 - TwoBodyJastrowRef.h:155-156 - exec0.120.13
Loop 267 - TwoBodyJastrowRef.h:155-156 - exec0.10.11
Loop 271 - stl_numeric.h:126-127 - exec0.060.07
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+exec0.350.39
Loop 763 - inner_product.hpp:82-83 - exec+0.350.39
Loop 765 - inner_product.hpp:82-83 - exec0.350.39
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.260.3
Loop 854 - inner_product.hpp:155-155 - exec0.190.22
Loop 857 - inner_product.hpp:82-83 - exec0.070.08
__intel_avx_rep_memcpyexec0.250.28
mkl_lapack_xdlaswplibmkl_core.so.20.230.26
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.160.18
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+exec0.120.14
Loop 832 - inner_product.hpp:210-212 - exec+0.120.14
Loop 833 - inner_product.hpp:210-212 - exec+0.120.14
Loop 834 - inner_product.hpp:210-212 - exec+0.120.14
Loop 835 - inner_product.hpp:211-212 - exec0.120.14
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.120.13
Loop 283 - TwoBodyJastrowRef.h:268-420 - exec+0.10.12
Loop 284 - TwoBodyJastrowRef.h:268-420 - exec+0.10.12
Loop 286 - TwoBodyJastrowRef.h:393-398 - exec0.050.06
Loop 288 - TwoBodyJastrowRef.h:388-391 - exec0.020.03
Loop 294 - TwoBodyJastrowRef.h:381-382 - exec0.010.01
Loop 292 - TwoBodyJastrowRef.h:381-382 - exec0.010.01
Loop 290 - TwoBodyJastrowRef.h:381-382 - exec0.010.01
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.110.12
Loop 847 - inner_product.hpp:82-155 - exec+0.10.13
Loop 851 - inner_product.hpp:155-155 - exec0.080.1
Loop 849 - inner_product.hpp:82-83 - exec0.020.03
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.10.11
MPL_gpu_cuda_finalizelibmpi.so.12.0.00.10.11
MPIR_Progress_hook_exec_on_vcilibmpi.so.12.0.00.090.11
unknown_function[vdso]0.070.08
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.060.07
qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)+exec0.060.07
Loop 49 - NonLocalPP.hpp:122-135 - exec+0.010.01
Loop 50 - NonLocalPP.hpp:126-135 - exec+0.010.01
Loop 51 - NonLocalPP.hpp:131-132 - exec0.010.01
__GI___pthread_mutex_locklibpthread-2.28.so0.060.07
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.050.06
Loop 189 - OneBodyJastrowRef.h:186-187 - exec0.010.01
Loop 181 - OneBodyJastrowRef.h:192-193 - exec0.010.01
Loop 185 - OneBodyJastrowRef.h:192-193 - exec0.010.01
qmcplusplus::TimerType::stop()exec0.040.05
qmcplusplus::TimerType::start()exec0.040.05
MPIDI_Progress_testlibmpi.so.12.0.00.040.04
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.030.04
std::map, double, std::less >, std::allocator const, double> > >::operator[](qmcplusplus::StackKeyParam<2> const&)exec0.030.04
__kmp_get_global_thread_id_reglibiomp5.so0.030.03
__kmp_api_omp_get_levellibiomp5.so0.030.03
uct_rc_mlx5_iface_progress_cycliclibuct_ib.so.0.0.00.030.03
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.030.03
Loop 876 - stl_algobase.h:740-742 - exec0.030.03
__pthread_mutex_unlock_usercntlibpthread-2.28.so0.030.03
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.020.03
MPIDI_SHMI_progresslibmpi.so.12.0.00.020.03
inflate_fastlibmpi.so.12.0.00.020.03
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.020.03
qmcplusplus::Vector >::resize(unsigned long, double)+exec0.020.03
Loop 230 - stl_algobase.h:752-754 - exec0.020.03
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.020.03
qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.020.02
qmcplusplus::TimerManager >::pop_timer(qmcplusplus::TimerType*)exec0.020.02
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)+exec0.020.02
Loop 244 - OneBodyJastrowRef.h:214-219 - exec0.010.01
_dl_update_slotinfold-2.28.so0.020.02
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.020.02
Loop 210 - OneBodyJastrowRef.h:109-194 - exec+0.010.01
Loop 215 - OneBodyJastrowRef.h:192-193 - exec0.010.01
mkl_blas_avx512_xdgemm_nocopy_driverlibmkl_avx512.so.20.010.01
MPIDI_OFI_progresslibmpi.so.12.0.00.010.01
ofi_cq_progresslibmlx-fi.so0.010.01
qmcplusplus::ParticleSet::update(bool)+exec0.010.01
Loop 1076 - ParticleSet.cpp:242-243 - exec0.010.01
miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)exec0.010.01
__dynamic_castlibstdc++.so.6.0.250.010.01
main.extracted.110+exec0.010.01
Loop 24 - new_allocator.h:101-125 - exec+0.010.01
Loop 27 - miniqmc.cpp:425-461 - exec+0.010.01
Loop 28 - miniqmc.cpp:429-458 - exec0.010.01
unknown_functionexec0.010.01
DGEMVlibmkl_intel_lp64.so.20.010.01
mkl_blas_xdgemvlibmkl_core.so.20.010.01
mkl_serv_deallocatelibmkl_core.so.20.010.01
mkl_blas_avx512_xdgemvlibmkl_avx512.so.20.010.01
__kmp_get_ancestor_thread_numlibiomp5.so0.010.01
_intel_fast_memsetexec0.010.01
__libm_exp_z0exec0.010.01
__kmp_api_omp_get_ancestor_thread_numlibiomp5.so0.010.01
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)exec0.010.01
ofi_cq_readfromlibmlx-fi.so0.010.01
qmcplusplus::TimerManager >::push_timer(qmcplusplus::TimerType*)exec0.010.01
std::map, long, std::less >, std::allocator const, long> > >::operator[](qmcplusplus::StackKeyParam<2> const&)exec0.010.01
qmcplusplus::ParticleSet::acceptMove(int)exec0.010.01
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)exec0.010.01
qmcplusplus::Vector > >::resize(unsigned long, double)exec0.010.01
pthread_getspecific@pltlibmkl_intel_thread.so.20.010.01
qmcplusplus::BsplineAllocator >::setCoefficientsForOrbitals(int, int, Array&, multi_UBspline_3d_d*) [clone .extracted]exec0.010.01
__GI___pthread_getspecificlibpthread-2.28.so0.010.01
__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.6.0.250.010.01
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.010.01
do_lookup_xld-2.28.so0.010.01
qmcplusplus::WaveFunction::acceptMove(qmcplusplus::ParticleSet&, int)exec0.010.01
qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.010.01
Loop 74 - WaveFunction.cpp:185-188 - exec0.010.01
__tls_get_addrld-2.28.so0.010.01
.plt.sec@startlibstdc++.so.6.0.250.010.01
__libm_logl_exexec00.01
kmp_flag_native::notdone_check()libiomp5.so00.01
update_get_addrld-2.28.so00.01
miniqmcreference::OneBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec00.01
mkl_blas_avx512_xdgerlibmkl_avx512.so.200
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