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Profiling node o405 - process 100576 - thread 100576

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec24.9127.85
Loop 870 - MultiBsplineRef.hpp:42-71 - exec+24.8627.8
Loop 871 - MultiBsplineRef.hpp:63-71 - exec+24.8627.8
Loop 872 - MultiBsplineRef.hpp:64-71 - exec+24.8627.8
Loop 873 - MultiBsplineRef.hpp:68-70 - exec24.8627.8
Loop 869 - einspline_spo_ref.hpp:183-187 - exec0.020.02
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.215.0316.8
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec13.9415.59
Loop 876 - MultiBsplineRef.hpp:187-286 - exec+1314.54
Loop 878 - MultiBsplineRef.hpp:226-262 - exec+12.6814.18
Loop 879 - MultiBsplineRef.hpp:227-262 - exec+12.6814.18
Loop 880 - MultiBsplineRef.hpp:242-262 - exec12.6814.18
Loop 877 - MultiBsplineRef.hpp:276-286 - exec0.320.36
Loop 874 - einspline_spo_ref.hpp:219-227 - exec+0.91.01
Loop 875 - einspline_spo_ref.hpp:223-227 - exec0.91.01
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.213.3114.89
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec77.83
Loop 2088 - SoaDistanceTableABOMPTarget.h:214-228 - exec+6.977.8
Loop 2089 - SoaDistanceTableABOMPTarget.h:215-228 - exec+6.977.8
Loop 2090 - SoaDistanceTableABOMPTarget.h:228-228 - exec6.977.8
Loop 2091 - SoaDistanceTableABOMPTarget.h:194-196 - exec0.010.01
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec6.977.79
Loop 1864 - SoaDistanceTableAAOMPTarget.h:440-442 - exec6.967.78
__intel_avx_rep_memset+exec1.942.17
Loop 2345 - - exec1.091.22
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec1.922.15
Loop 389 - TwoBodyJastrowRef.h:107-132 - exec+1.892.12
Loop 390 - BsplineFunctor.h:229-260 - exec+1.892.12
Loop 393 - BsplineFunctor.h:236-241 - exec1.782
Loop 391 - BsplineFunctor.h:246-260 - exec0.110.12
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec1.711.92
Loop 1370 - ParticleBConds3DSoa.h:235-256 - exec1.711.91
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.451.63
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec1.141.27
Loop 363 - TwoBodyJastrowRef.h:324-331 - exec0.310.35
Loop 359 - TwoBodyJastrowRef.h:342-347 - exec0.290.32
Loop 357 - TwoBodyJastrowRef.h:342-347 - exec0.260.29
Loop 361 - TwoBodyJastrowRef.h:342-347 - exec0.240.27
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.21.091.21
kmp_flag_64::wait(kmp_info*, int, void*)libiomp5.so1.051.17
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.21.051.17
unknown_functionUnknown module0.830.92
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.80.89
Loop 992 - inner_product.hpp:82-155 - exec+0.790.88
Loop 994 - inner_product.hpp:155-155 - exec0.610.68
Loop 996 - inner_product.hpp:82-83 - exec0.180.2
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.680.76
Loop 332 - BsplineFunctor.h:291-297 - exec0.550.61
Loop 330 - BsplineFunctor.h:303-338 - exec0.090.1
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.550.61
Loop 981 - inner_product.hpp:155-155 - exec0.550.61
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.520.58
Loop 351 - TwoBodyJastrowRef.h:155-156 - exec0.160.18
Loop 350 - TwoBodyJastrowRef.h:155-156 - exec0.140.16
Loop 352 - TwoBodyJastrowRef.h:155-156 - exec0.110.12
Loop 354 - stl_numeric.h:126-127 - exec0.080.09
Loop 355 - TwoBodyJastrowRef.h:269-274 - exec0.010.01
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.340.38
Loop 982 - inner_product.hpp:155-155 - exec0.210.24
Loop 985 - inner_product.hpp:82-83 - exec0.120.13
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+exec0.310.34
Loop 881 - inner_product.hpp:82-83 - exec+0.30.34
Loop 883 - inner_product.hpp:82-83 - exec0.30.34
__intel_avx_rep_memcpyexec0.290.32
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+exec0.280.31
Loop 960 - inner_product.hpp:210-212 - exec+0.280.31
Loop 961 - inner_product.hpp:211-212 - exec0.150.17
Loop 962 - inner_product.hpp:211-212 - exec0.130.14
mkl_lapack_xdlaswplibmkl_core.so.20.170.19
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.170.18
unknown_kernel_regionkernel0.170.18
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.140.16
MPL_gpu_cuda_finalizelibmpi.so.12.0.00.130.15
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.130.14
Loop 975 - inner_product.hpp:82-155 - exec+0.130.14
Loop 979 - inner_product.hpp:155-155 - exec0.110.12
Loop 977 - inner_product.hpp:82-83 - exec0.020.02
__pthread_mutex_unlock_usercntlibpthread-2.28.so0.130.14
__GI___pthread_mutex_locklibpthread-2.28.so0.130.14
pthread_spin_locklibpthread-2.28.so0.110.12
MPIR_Progress_hook_exec_on_vcilibmpi.so.12.0.00.10.11
qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)+exec0.090.1
Loop 75 - NonLocalPP.hpp:122-135 - exec+0.010.01
Loop 76 - NonLocalPP.hpp:126-135 - exec+0.010.01
Loop 77 - NonLocalPP.hpp:131-132 - exec0.010.01
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.080.08
Loop 368 - TwoBodyJastrowRef.h:268-420 - exec+0.070.07
Loop 370 - stl_algobase.h:752-754 - exec+0.070.07
Loop 383 - TwoBodyJastrowRef.h:381-382 - exec0.040.04
Loop 377 - TwoBodyJastrowRef.h:388-391 - exec0.010.01
Loop 381 - TwoBodyJastrowRef.h:381-382 - exec0.010.01
Loop 379 - TwoBodyJastrowRef.h:381-382 - exec0.010.01
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.080.08
uct_ud_mlx5_iface_progresslibuct_ib.so.0.0.00.070.08
std::map, double, std::less >, std::allocator const, double> > >::operator[](qmcplusplus::StackKeyParam<2> const&)exec0.070.07
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.050.06
Loop 303 - OneBodyJastrowRef.h:134-155 - exec+0.040.04
Loop 305 - BsplineFunctor.h:229-260 - exec+0.040.04
Loop 308 - BsplineFunctor.h:236-241 - exec0.040.04
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.050.06
Loop 268 - OneBodyJastrowRef.h:186-187 - exec0.020.02
Loop 265 - OneBodyJastrowRef.h:192-193 - exec0.020.02
Loop 264 - OneBodyJastrowRef.h:192-193 - exec0.010.01
qmcplusplus::TimerType::start()exec0.040.05
std::map, long, std::less >, std::allocator const, long> > >::operator[](qmcplusplus::StackKeyParam<2> const&)exec0.040.05
qmcplusplus::TimerType::stop()exec0.040.05
__kmp_get_global_thread_id_reglibiomp5.so0.040.04
MPIDI_Progress_testlibmpi.so.12.0.00.040.04
uct_rc_mlx5_iface_progress_cycliclibuct_ib.so.0.0.00.040.04
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.030.04
MPID_Progress_waitlibmpi.so.12.0.00.030.04
qmcplusplus::TimerManager >::pop_timer(qmcplusplus::TimerType*)exec0.030.04
unknown_function[vdso]0.030.04
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.030.03
qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.030.03
Loop 101 - WaveFunction.cpp:185-188 - exec0.030.03
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)exec0.020.02
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.020.02
_dl_update_slotinfold-2.28.so0.020.02
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.020.02
Loop 290 - OneBodyJastrowRef.h:109-194 - exec+0.020.02
Loop 297 - OneBodyJastrowRef.h:192-193 - exec0.010.01
Loop 296 - OneBodyJastrowRef.h:192-193 - exec0.010.01
__dynamic_castlibstdc++.so.6.0.250.020.02
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.020.02
.plt.sec@startlibuct_ib.so.0.0.00.020.02
__kmp_api_omp_get_levellibiomp5.so0.020.02
ucp_worker_progresslibucp.so.0.0.00.020.02
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)exec0.020.02
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)+exec0.020.02
Loop 329 - OneBodyJastrowRef.h:214-219 - exec0.020.02
main.extracted.110+exec0.020.02
Loop 24 - new_allocator.h:101-125 - exec+0.010.01
Loop 35 - StdRandom.h:102-103 - exec+0.010.01
Loop 36 - miniqmc.cpp:429-458 - exec0.010.01
mkl_blas_xdgemvlibmkl_core.so.20.010.01
mkl_serv_set_xerbla_interfacelibmkl_intel_thread.so.20.010.01
MPID_Progress_completion_count_getlibmpi.so.12.0.00.010.01
MPIDI_SHMI_progresslibmpi.so.12.0.00.010.01
MPIDI_OFI_get_bufferedlibmpi.so.12.0.00.010.01
__libm_exp_z0exec0.010.01
kmp_flag_native::notdone_check()libiomp5.so0.010.01
MPIDI_OFI_progresslibmpi.so.12.0.00.010.01
inflate_fastlibmpi.so.12.0.00.010.01
impi_shm_heap_progresslibmpi.so.12.0.00.010.01
_intel_fast_memsetexec0.010.01
__kmp_api_omp_in_parallellibiomp5.so0.010.01
ofi_cq_progresslibmlx-fi.so0.010.01
qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.010.01
qmcplusplus::ParticleSet::acceptMove(int)exec0.010.01
ofi_mutex_unlock_nooplibmlx-fi.so0.010.01
qmcplusplus::Vector > >::resize(unsigned long, double)exec0.010.01
pthread_getspecific@pltlibmkl_intel_thread.so.20.010.01
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.010.01
Loop 1004 - stl_algobase.h:740-742 - exec0.010.01
miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)exec0.010.01
mlx_ep_progresslibmlx-fi.so0.010.01
miniqmcreference::TwoBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010.01
ucp_worker_progress@pltlibmlx-fi.so0.010.01
.plt.sec@startlibstdc++.so.6.0.250.010.01
mkl_blas_avx512_xdgerlibmkl_avx512.so.200
mkl_blas_avx512_xdgemvlibmkl_avx512.so.200
qmcplusplus::ParticleSet::update(bool)exec00
__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.6.0.2500
qmcplusplus::Vector >::resize(unsigned long, double)exec00
update_get_addrld-2.28.so00
qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)exec00
__tls_get_addrld-2.28.so00
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