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Profiling node o405 - process 152355 - thread 152455

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec23.1825.91
Loop 843 - MultiBsplineRef.hpp:42-71 - exec+23.1525.87
Loop 844 - MultiBsplineRef.hpp:63-71 - exec+23.1525.87
Loop 845 - MultiBsplineRef.hpp:64-71 - exec+23.1525.87
Loop 846 - MultiBsplineRef.hpp:68-70 - exec23.1525.87
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec17.8519.96
Loop 849 - MultiBsplineRef.hpp:187-286 - exec+15.8417.69
Loop 852 - MultiBsplineRef.hpp:226-262 - exec+15.5417.36
Loop 853 - MultiBsplineRef.hpp:227-262 - exec+15.5417.36
Loop 858 - MultiBsplineRef.hpp:242-262 - exec+15.5417.36
Loop 860 - MultiBsplineRef.hpp:242-262 - exec9.7310.87
Loop 859 - MultiBsplineRef.hpp:242-261 - exec5.816.49
Loop 851 - MultiBsplineRef.hpp:276-286 - exec0.30.33
Loop 847 - einspline_spo_ref.hpp:219-227 - exec+1.021.14
Loop 848 - einspline_spo_ref.hpp:223-227 - exec1.021.14
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.214.6216.35
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.213.0414.58
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec7.268.11
Loop 2084 - SoaDistanceTableABOMPTarget.h:214-228 - exec+7.238.08
Loop 2085 - SoaDistanceTableABOMPTarget.h:215-228 - exec+7.238.08
Loop 2083 - SoaDistanceTableABOMPTarget.h:228-228 - exec7.238.08
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec6.727.51
Loop 1858 - SoaDistanceTableAAOMPTarget.h:440-442 - exec6.727.51
__intel_avx_rep_memset+exec1.952.18
Loop 2345 - - exec1.071.19
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec1.932.15
Loop 1352 - ParticleBConds3DSoa.h:235-256 - exec1.922.15
kmp_flag_64::wait(kmp_info*, int, void*)libiomp5.so1.922.15
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.471.64
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec1.431.6
Loop 372 - TwoBodyJastrowRef.h:107-132 - exec+1.41.57
Loop 373 - BsplineFunctor.h:236-260 - exec+1.41.57
Loop 377 - BsplineFunctor.h:236-241 - exec1.311.47
Loop 375 - BsplineFunctor.h:246-260 - exec0.090.1
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec1.111.24
Loop 350 - TwoBodyJastrowRef.h:324-331 - exec0.370.41
Loop 345 - TwoBodyJastrowRef.h:342-347 - exec0.260.29
Loop 347 - TwoBodyJastrowRef.h:342-347 - exec0.250.28
Loop 343 - TwoBodyJastrowRef.h:342-347 - exec0.210.23
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.20.921.03
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.890.99
Loop 970 - inner_product.hpp:82-155 - exec+0.880.98
Loop 972 - inner_product.hpp:155-155 - exec0.620.69
Loop 974 - inner_product.hpp:82-83 - exec0.260.29
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.20.820.92
unknown_functionUnknown module0.710.79
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.610.68
Loop 317 - BsplineFunctor.h:291-298 - exec0.530.59
Loop 315 - BsplineFunctor.h:303-338 - exec0.060.06
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.540.6
Loop 338 - TwoBodyJastrowRef.h:155-156 - exec0.170.19
Loop 336 - TwoBodyJastrowRef.h:155-156 - exec0.140.16
Loop 337 - TwoBodyJastrowRef.h:155-156 - exec0.130.14
Loop 340 - stl_numeric.h:126-127 - exec0.050.06
Loop 341 - TwoBodyJastrowRef.h:269-274 - exec0.010.01
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.480.54
Loop 959 - inner_product.hpp:155-155 - exec0.470.53
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+exec0.320.36
Loop 861 - inner_product.hpp:82-83 - exec+0.320.35
Loop 863 - inner_product.hpp:82-83 - exec0.320.35
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.30.33
Loop 960 - inner_product.hpp:155-155 - exec0.210.23
Loop 963 - inner_product.hpp:82-83 - exec0.080.09
__intel_avx_rep_memcpyexec0.260.29
mkl_lapack_xdlaswplibmkl_core.so.20.20.22
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.170.19
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.150.16
Loop 953 - inner_product.hpp:82-155 - exec+0.150.16
Loop 957 - inner_product.hpp:155-155 - exec0.120.13
Loop 955 - inner_product.hpp:82-83 - exec0.030.03
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.130.14
Loop 355 - TwoBodyJastrowRef.h:268-420 - exec+0.120.12
Loop 356 - TwoBodyJastrowRef.h:268-420 - exec+0.120.12
Loop 358 - TwoBodyJastrowRef.h:393-398 - exec0.030.03
Loop 364 - TwoBodyJastrowRef.h:381-382 - exec0.020.02
Loop 362 - TwoBodyJastrowRef.h:381-382 - exec0.020.02
Loop 360 - TwoBodyJastrowRef.h:388-391 - exec0.020.02
Loop 370 - stl_numeric.h:126-127 - exec0.010.01
Loop 366 - TwoBodyJastrowRef.h:381-382 - exec0.010.01
Loop 368 - TwoBodyJastrowRef.h:375-376 - exec0.010.01
unknown_kernel_regionkernel0.120.13
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.090.1
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+exec0.090.1
Loop 937 - inner_product.hpp:210-212 - exec+0.090.1
Loop 938 - inner_product.hpp:210-212 - exec+0.090.1
Loop 939 - inner_product.hpp:210-212 - exec+0.090.1
Loop 940 - inner_product.hpp:211-212 - exec0.090.1
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.060.06
Loop 252 - OneBodyJastrowRef.h:186-187 - exec0.020.02
Loop 249 - OneBodyJastrowRef.h:192-193 - exec0.020.02
Loop 247 - OneBodyJastrowRef.h:192-193 - exec0.010.01
Loop 248 - OneBodyJastrowRef.h:192-193 - exec0.010.01
qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)+exec0.050.06
Loop 80 - NonLocalPP.hpp:122-135 - exec+0.020.02
Loop 81 - NonLocalPP.hpp:126-135 - exec+0.020.02
Loop 82 - NonLocalPP.hpp:131-132 - exec0.020.02
__kmp_api_omp_get_levellibiomp5.so0.040.05
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.040.04
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.030.03
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.030.03
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.030.03
Loop 286 - OneBodyJastrowRef.h:134-155 - exec+0.010.01
Loop 288 - OneBodyJastrowRef.h:134-146 - exec+0.010.01
Loop 292 - BsplineFunctor.h:236-241 - exec0.010.01
__kmp_get_global_thread_id_reglibiomp5.so0.020.02
qmcplusplus::TimerType::stop()exec0.020.02
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.020.02
__kmp_api_omp_in_parallellibiomp5.so0.020.02
qmcplusplus::TimerType::start()exec0.020.02
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)exec0.020.02
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.020.02
Loop 982 - stl_algobase.h:740-742 - 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 273 - OneBodyJastrowRef.h:109-194 - exec+0.020.02
Loop 278 - OneBodyJastrowRef.h:192-193 - exec0.010.01
Loop 279 - OneBodyJastrowRef.h:192-193 - exec0.010.01
__dynamic_castlibstdc++.so.6.0.250.020.02
mkl_blas_avx512_xdgemvlibmkl_avx512.so.20.010.01
kmp_flag_native::notdone_check()libiomp5.so0.010.01
miniqmcreference::OneBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010.01
main.extracted.110+exec0.010.01
Loop 23 - stl_vector.h:296-933 - exec+0.010.01
Loop 37 - random.tcc:401-3338 - exec+0.010.01
Loop 38 - miniqmc.cpp:429-458 - exec0.010.01
mkl_blas_dgemvlibmkl_intel_thread.so.20.010.01
mkl_blas_xdgemvlibmkl_core.so.20.010.01
mkl_blas_avx512_xdscallibmkl_avx512.so.20.010.01
_intel_fast_memsetexec0.010.01
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)exec0.010.01
qmcplusplus::ParticleSet::update(bool)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.6.0.250.010.01
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)exec0.010.01
update_get_addrld-2.28.so0.010.01
miniqmcreference::OneBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)exec0.010.01
qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010.01
__tls_get_addrld-2.28.so0.010.01
mkl_blas_avx512_xdgerlibmkl_avx512.so.200
__libm_exp_z0exec00
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec00
miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)exec00
qmcplusplus::Vector >::resize(unsigned long, double)exec00
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