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Profiling node o405 - process 100576 - thread 100677

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec23.7126.41
Loop 870 - MultiBsplineRef.hpp:42-71 - exec+23.6626.35
Loop 871 - MultiBsplineRef.hpp:63-71 - exec+23.6626.35
Loop 872 - MultiBsplineRef.hpp:64-71 - exec+23.6626.35
Loop 873 - MultiBsplineRef.hpp:68-70 - exec23.6626.35
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.215.7217.51
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.214.6116.28
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec13.7315.3
Loop 876 - MultiBsplineRef.hpp:187-286 - exec+12.7614.21
Loop 878 - MultiBsplineRef.hpp:226-262 - exec+12.3913.8
Loop 879 - MultiBsplineRef.hpp:227-262 - exec+12.3913.8
Loop 880 - MultiBsplineRef.hpp:242-262 - exec12.3913.8
Loop 877 - MultiBsplineRef.hpp:276-286 - exec0.370.41
Loop 874 - einspline_spo_ref.hpp:219-227 - exec+0.931.04
Loop 875 - einspline_spo_ref.hpp:223-227 - exec0.931.04
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec6.947.73
Loop 2088 - SoaDistanceTableABOMPTarget.h:214-228 - exec+6.937.72
Loop 2089 - SoaDistanceTableABOMPTarget.h:215-228 - exec+6.937.72
Loop 2090 - SoaDistanceTableABOMPTarget.h:228-228 - exec6.937.72
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec6.897.68
Loop 1864 - SoaDistanceTableAAOMPTarget.h:440-442 - exec6.897.67
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec2.162.41
Loop 1370 - ParticleBConds3DSoa.h:235-256 - exec2.152.39
__intel_avx_rep_memset+exec2.022.24
Loop 2345 - - exec1.251.39
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.61.79
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec1.431.59
Loop 389 - TwoBodyJastrowRef.h:107-132 - exec+1.411.56
Loop 390 - BsplineFunctor.h:229-260 - exec+1.411.56
Loop 393 - BsplineFunctor.h:236-241 - exec1.341.49
Loop 391 - BsplineFunctor.h:246-260 - exec0.070.07
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec1.171.3
Loop 359 - TwoBodyJastrowRef.h:342-347 - exec0.320.35
Loop 361 - TwoBodyJastrowRef.h:342-347 - exec0.320.35
Loop 363 - TwoBodyJastrowRef.h:324-331 - exec0.290.32
Loop 357 - TwoBodyJastrowRef.h:342-347 - exec0.220.24
kmp_flag_64::wait(kmp_info*, int, void*)libiomp5.so1.161.29
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.21.071.19
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.211.11
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.961.07
Loop 992 - inner_product.hpp:82-155 - exec+0.951.07
Loop 994 - inner_product.hpp:155-155 - exec0.680.76
Loop 996 - inner_product.hpp:82-83 - exec0.270.31
unknown_functionUnknown module0.730.81
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.710.79
Loop 981 - inner_product.hpp:155-155 - exec0.710.79
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.680.76
Loop 351 - TwoBodyJastrowRef.h:155-156 - exec0.20.22
Loop 352 - TwoBodyJastrowRef.h:155-156 - exec0.180.2
Loop 350 - TwoBodyJastrowRef.h:155-156 - exec0.170.19
Loop 354 - stl_numeric.h:126-127 - exec0.090.1
Loop 355 - TwoBodyJastrowRef.h:269-274 - exec0.010.01
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.620.69
Loop 332 - BsplineFunctor.h:291-297 - exec0.50.56
Loop 330 - BsplineFunctor.h:303-338 - exec0.070.07
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.390.43
Loop 982 - inner_product.hpp:155-155 - exec0.290.32
Loop 985 - inner_product.hpp:82-83 - exec0.080.09
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+exec0.30.33
Loop 881 - inner_product.hpp:82-83 - exec+0.290.32
Loop 883 - inner_product.hpp:82-83 - exec0.290.32
__intel_avx_rep_memcpyexec0.290.32
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.220.25
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+exec0.220.25
Loop 960 - inner_product.hpp:210-212 - exec+0.230.25
Loop 962 - inner_product.hpp:211-212 - exec0.140.16
Loop 961 - inner_product.hpp:211-212 - exec0.090.09
mkl_lapack_xdlaswplibmkl_core.so.20.210.24
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.180.2
Loop 975 - inner_product.hpp:82-155 - exec+0.180.2
Loop 979 - inner_product.hpp:155-155 - exec0.130.15
Loop 977 - inner_product.hpp:82-83 - exec0.050.05
unknown_kernel_regionkernel0.170.19
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.10.12
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.10.11
Loop 368 - TwoBodyJastrowRef.h:268-420 - exec+0.10.1
Loop 370 - stl_algobase.h:752-754 - exec+0.10.1
Loop 383 - TwoBodyJastrowRef.h:381-382 - exec0.020.02
Loop 385 - TwoBodyJastrowRef.h:375-376 - exec0.020.02
Loop 377 - TwoBodyJastrowRef.h:388-391 - exec0.020.02
Loop 379 - TwoBodyJastrowRef.h:381-382 - exec0.020.02
Loop 387 - stl_numeric.h:126-127 - exec0.010.01
Loop 373 - TwoBodyJastrowRef.h:397-398 - exec0.010.01
qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)+exec0.080.09
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
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.080.09
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.070.07
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.070.07
Loop 268 - OneBodyJastrowRef.h:186-187 - exec0.020.03
Loop 263 - OneBodyJastrowRef.h:192-193 - exec0.010.01
Loop 264 - OneBodyJastrowRef.h:192-193 - exec0.010.01
qmcplusplus::TimerType::start()exec0.040.05
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.030.04
__kmp_api_omp_get_levellibiomp5.so0.030.04
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)exec0.030.04
__libm_exp_z0exec0.030.03
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)exec0.030.03
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.030.03
Loop 303 - OneBodyJastrowRef.h:134-155 - exec+0.020.02
Loop 305 - BsplineFunctor.h:229-260 - exec+0.020.02
Loop 308 - BsplineFunctor.h:236-241 - exec0.020.02
__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.6.0.250.020.03
mkl_blas_avx512_xdgemvlibmkl_avx512.so.20.020.02
qmcplusplus::TimerType::stop()exec0.020.02
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.020.02
Loop 1004 - stl_algobase.h:740-742 - exec0.020.02
_dl_update_slotinfold-2.28.so0.020.02
__kmp_get_global_thread_id_reglibiomp5.so0.010.01
kmp_flag_native::notdone_check()libiomp5.so0.010.01
qmcplusplus::ParticleSet::update(bool)exec0.010.01
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)+exec0.010.01
Loop 329 - OneBodyJastrowRef.h:214-219 - exec0.010.01
update_get_addrld-2.28.so0.010.01
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...exec0.010.01
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.010.01
qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.010.01
Loop 101 - WaveFunction.cpp:185-188 - exec0.010.01
__tls_get_addrld-2.28.so0.010.01
__kmp_api_omp_in_parallellibiomp5.so0.010.01
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.010.01
qmcplusplus::RealSpacePositionsOMPTarget::getAllParticlePos() constexec0.010.01
qmcplusplus::DelayedUpdate::updateInvMat(qmcplusplus::Matrix >&)exec0.010.01
miniqmcreference::TwoBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010.01
qmcplusplus::Vector >::resize(unsigned long, double)+exec0.010.01
Loop 313 - stl_algobase.h:752-754 - exec0.010.01
main.extracted.110+exec0.010.01
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.200
_intel_fast_memsetexec00
qmcplusplus::ParticleSet::acceptMove(int)exec00
miniqmcreference::OneBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec00
__dynamic_castlibstdc++.so.6.0.2500
qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)exec00
mkl_blas_avx512_xdgerlibmkl_avx512.so.200
miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)exec00
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