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Profiling node o401 - process 137744 - thread 137767

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec24.8727.67
Loop 870 - MultiBsplineRef.hpp:42-71 - exec+24.8127.61
Loop 871 - MultiBsplineRef.hpp:63-71 - exec+24.8127.61
Loop 872 - MultiBsplineRef.hpp:64-71 - exec+24.8127.61
Loop 873 - MultiBsplineRef.hpp:68-70 - exec24.8127.61
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.215.1416.85
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.213.8515.41
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec13.8215.38
Loop 876 - MultiBsplineRef.hpp:187-286 - exec+13.0714.54
Loop 878 - MultiBsplineRef.hpp:226-262 - exec+12.6314.05
Loop 879 - MultiBsplineRef.hpp:227-262 - exec+12.6314.05
Loop 880 - MultiBsplineRef.hpp:242-262 - exec12.6314.05
Loop 877 - MultiBsplineRef.hpp:276-286 - exec0.440.49
Loop 874 - einspline_spo_ref.hpp:219-227 - exec+0.710.78
Loop 875 - einspline_spo_ref.hpp:223-227 - exec0.710.78
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec8.048.95
Loop 2088 - SoaDistanceTableABOMPTarget.h:214-228 - exec+8.038.94
Loop 2089 - SoaDistanceTableABOMPTarget.h:215-228 - exec+8.038.94
Loop 2090 - SoaDistanceTableABOMPTarget.h:228-228 - exec8.038.94
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec6.427.14
Loop 1864 - SoaDistanceTableAAOMPTarget.h:440-442 - exec6.427.14
__intel_avx_rep_memset+exec1.852.06
Loop 2345 - - exec1.081.2
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec1.771.96
Loop 1370 - ParticleBConds3DSoa.h:235-256 - exec1.751.95
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.481.64
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec1.371.52
Loop 389 - TwoBodyJastrowRef.h:107-132 - exec+1.331.48
Loop 390 - BsplineFunctor.h:229-260 - exec+1.331.48
Loop 393 - BsplineFunctor.h:236-241 - exec1.281.42
Loop 391 - BsplineFunctor.h:246-260 - exec0.050.06
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec1.241.38
Loop 357 - TwoBodyJastrowRef.h:342-347 - exec0.340.38
Loop 363 - TwoBodyJastrowRef.h:324-331 - exec0.330.36
Loop 361 - TwoBodyJastrowRef.h:342-347 - exec0.290.32
Loop 359 - TwoBodyJastrowRef.h:342-347 - exec0.260.28
Loop 365 - TwoBodyJastrowRef.h:269-274 - exec0.010.01
pthread_spin_locklibpthread-2.28.so1.041.16
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.21.011.12
kmp_flag_64::wait(kmp_info*, int, void*)libiomp5.so0.981.09
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.20.941.05
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.870.96
Loop 992 - inner_product.hpp:82-155 - exec+0.870.96
Loop 994 - inner_product.hpp:155-155 - exec0.530.59
Loop 996 - inner_product.hpp:82-83 - exec0.340.37
unknown_functionUnknown module0.740.82
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.580.65
Loop 332 - BsplineFunctor.h:291-297 - exec0.440.49
Loop 330 - BsplineFunctor.h:303-338 - exec0.080.08
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.560.62
Loop 350 - TwoBodyJastrowRef.h:155-156 - exec0.160.17
Loop 352 - TwoBodyJastrowRef.h:155-156 - exec0.160.17
Loop 351 - TwoBodyJastrowRef.h:155-156 - exec0.120.13
Loop 354 - stl_numeric.h:126-127 - exec0.090.09
Loop 355 - TwoBodyJastrowRef.h:269-274 - exec0.020.02
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.470.52
Loop 981 - inner_product.hpp:155-155 - exec0.470.52
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.360.4
Loop 982 - inner_product.hpp:155-155 - exec0.230.25
Loop 985 - inner_product.hpp:82-83 - exec0.130.14
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+exec0.350.39
Loop 881 - inner_product.hpp:82-83 - exec+0.350.39
Loop 883 - inner_product.hpp:82-83 - exec0.350.39
mkl_lapack_xdlaswplibmkl_core.so.20.240.27
unknown_kernel_regionkernel0.220.24
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+exec0.190.21
Loop 960 - inner_product.hpp:210-212 - exec+0.190.21
Loop 962 - inner_product.hpp:211-212 - exec0.10.11
Loop 961 - inner_product.hpp:211-212 - exec0.090.1
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.190.21
__intel_avx_rep_memcpyexec0.180.2
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.130.14
Loop 368 - TwoBodyJastrowRef.h:268-420 - exec+0.110.11
Loop 370 - stl_algobase.h:752-754 - exec+0.110.11
Loop 377 - TwoBodyJastrowRef.h:388-391 - exec0.030.03
Loop 379 - TwoBodyJastrowRef.h:381-382 - exec0.020.02
Loop 387 - stl_numeric.h:126-127 - exec0.020.02
Loop 375 - TwoBodyJastrowRef.h:397-398 - exec0.010.01
Loop 381 - TwoBodyJastrowRef.h:381-382 - exec0.010.01
Loop 373 - TwoBodyJastrowRef.h:397-398 - exec0.010.01
Loop 383 - TwoBodyJastrowRef.h:381-382 - exec0.010.01
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.120.13
Loop 975 - inner_product.hpp:82-155 - exec+0.120.13
Loop 979 - inner_product.hpp:155-155 - exec0.10.11
Loop 977 - inner_product.hpp:82-83 - exec0.020.02
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.090.1
qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)+exec0.090.09
Loop 75 - NonLocalPP.hpp:122-135 - exec+0.020.02
Loop 76 - NonLocalPP.hpp:126-135 - exec+0.020.02
Loop 77 - NonLocalPP.hpp:131-132 - exec0.020.02
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.080.08
__kmp_api_omp_get_levellibiomp5.so0.050.05
_dl_update_slotinfold-2.28.so0.040.05
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.040.05
Loop 303 - OneBodyJastrowRef.h:134-155 - exec+0.030.03
Loop 305 - BsplineFunctor.h:229-260 - exec+0.030.03
Loop 308 - BsplineFunctor.h:236-241 - exec0.030.03
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.040.05
Loop 264 - OneBodyJastrowRef.h:192-193 - exec0.010.01
Loop 263 - OneBodyJastrowRef.h:192-193 - exec0.010.01
Loop 265 - OneBodyJastrowRef.h:192-193 - exec0.010.01
Loop 268 - OneBodyJastrowRef.h:186-187 - exec0.010.01
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.040.04
__tls_get_addrld-2.28.so0.030.03
mkl_blas_avx512_xdgerlibmkl_avx512.so.20.030.03
__dynamic_castlibstdc++.so.6.0.250.030.03
__kmp_get_global_thread_id_reglibiomp5.so0.020.02
__libm_exp_z0exec0.020.02
qmcplusplus::Vector >::resize(unsigned long, double)+exec0.020.02
Loop 313 - stl_algobase.h:752-754 - exec0.020.02
qmcplusplus::ParticleSet::update(bool)+exec0.020.02
Loop 1225 - ParticleSet.cpp:242-243 - exec0.010.01
__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.6.0.250.020.02
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...exec0.020.02
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.020.02
main.extracted.110+exec0.020.02
Loop 24 - new_allocator.h:101-125 - exec+0.020.02
Loop 35 - StdRandom.h:102-103 - exec+0.020.02
Loop 36 - miniqmc.cpp:429-458 - exec0.020.02
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.010.01
__kmp_api_omp_in_parallellibiomp5.so0.010.01
kmp_flag_native::notdone_check()libiomp5.so0.010.01
qmcplusplus::TimerType::stop()exec0.010.01
qmcplusplus::TimerType::start()exec0.010.01
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
qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010.01
DGEMVlibmkl_intel_lp64.so.20.010.01
mkl_blas_xdgemvlibmkl_core.so.20.010.01
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)exec0.010.01
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.010.01
qmcplusplus::SoaDistanceTableAAOMPTarget::evaluate(qmcplusplus::ParticleSet&)exec0.010.01
qmcplusplus::RealSpacePositionsOMPTarget::setOneParticlePos(qmcplusplus::TinyVector const&, unsigned long)exec0.010.01
miniqmcreference::OneBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010.01
mkl_blas_avx512_xdgemvlibmkl_avx512.so.200
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)exec00
update_get_addrld-2.28.so00
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