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Profiling node o405 - process 152356 - thread 152366

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec25.2527.98
Loop 843 - MultiBsplineRef.hpp:42-71 - exec+25.227.93
Loop 844 - MultiBsplineRef.hpp:63-71 - exec+25.227.93
Loop 845 - MultiBsplineRef.hpp:64-71 - exec+25.227.93
Loop 846 - MultiBsplineRef.hpp:68-70 - exec25.227.93
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec17.2519.12
Loop 849 - MultiBsplineRef.hpp:187-286 - exec+15.6617.35
Loop 852 - MultiBsplineRef.hpp:226-262 - exec+15.2816.93
Loop 853 - MultiBsplineRef.hpp:227-262 - exec+15.2816.93
Loop 858 - MultiBsplineRef.hpp:242-262 - exec+15.2816.93
Loop 860 - MultiBsplineRef.hpp:242-262 - exec9.3110.31
Loop 859 - MultiBsplineRef.hpp:242-261 - exec5.976.62
Loop 851 - MultiBsplineRef.hpp:276-286 - exec0.380.42
Loop 847 - einspline_spo_ref.hpp:219-227 - exec+0.740.82
Loop 848 - einspline_spo_ref.hpp:223-227 - exec0.740.82
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.213.9915.5
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.212.613.96
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec7.818.66
Loop 2084 - SoaDistanceTableABOMPTarget.h:214-228 - exec+7.818.65
Loop 2085 - SoaDistanceTableABOMPTarget.h:215-228 - exec+7.818.65
Loop 2083 - SoaDistanceTableABOMPTarget.h:228-228 - exec7.818.65
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec6.657.38
Loop 1858 - SoaDistanceTableAAOMPTarget.h:440-442 - exec6.657.38
__intel_avx_rep_memset+exec1.862.06
Loop 2345 - - exec1.11.22
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec1.71.88
Loop 372 - TwoBodyJastrowRef.h:107-132 - exec+1.671.86
Loop 373 - BsplineFunctor.h:236-260 - exec+1.671.86
Loop 377 - BsplineFunctor.h:236-241 - exec1.531.7
Loop 375 - BsplineFunctor.h:246-260 - exec0.140.16
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec1.551.72
Loop 1352 - ParticleBConds3DSoa.h:235-256 - exec1.541.71
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.251.39
kmp_flag_64::wait(kmp_info*, int, void*)libiomp5.so1.131.25
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec1.051.16
Loop 347 - TwoBodyJastrowRef.h:342-347 - exec0.270.29
Loop 350 - TwoBodyJastrowRef.h:324-331 - exec0.270.3
Loop 345 - TwoBodyJastrowRef.h:342-347 - exec0.260.29
Loop 343 - TwoBodyJastrowRef.h:342-347 - exec0.230.26
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.20.971.08
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.20.890.99
unknown_functionUnknown module0.770.85
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.720.79
Loop 970 - inner_product.hpp:82-155 - exec+0.710.79
Loop 972 - inner_product.hpp:155-155 - exec0.460.51
Loop 974 - inner_product.hpp:82-83 - exec0.250.28
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.710.79
Loop 317 - BsplineFunctor.h:291-298 - exec0.570.63
Loop 315 - BsplineFunctor.h:303-338 - exec0.090.1
Loop 314 - BsplineFunctor.h:303-338 - exec0.010.02
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.460.51
Loop 338 - TwoBodyJastrowRef.h:155-156 - exec0.160.17
Loop 337 - TwoBodyJastrowRef.h:155-156 - exec0.120.13
Loop 336 - TwoBodyJastrowRef.h:155-156 - exec0.110.12
Loop 340 - stl_numeric.h:126-127 - exec0.050.05
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.440.49
Loop 959 - inner_product.hpp:155-155 - exec0.440.48
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+exec0.440.49
Loop 861 - inner_product.hpp:82-83 - exec+0.430.48
Loop 863 - inner_product.hpp:82-83 - exec0.430.48
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.350.38
Loop 960 - inner_product.hpp:155-155 - exec0.280.32
Loop 963 - inner_product.hpp:82-83 - exec0.050.06
__intel_avx_rep_memcpyexec0.250.28
mkl_lapack_xdlaswplibmkl_core.so.20.20.22
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.180.2
Loop 355 - TwoBodyJastrowRef.h:268-420 - exec+0.160.18
Loop 356 - TwoBodyJastrowRef.h:268-420 - exec+0.160.18
Loop 366 - TwoBodyJastrowRef.h:381-382 - exec0.050.05
Loop 358 - TwoBodyJastrowRef.h:393-398 - exec0.040.04
Loop 364 - TwoBodyJastrowRef.h:381-382 - exec0.030.04
Loop 362 - TwoBodyJastrowRef.h:381-382 - exec0.030.04
Loop 360 - TwoBodyJastrowRef.h:388-391 - exec0.010.01
unknown_kernel_regionkernel0.160.17
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.150.17
Loop 953 - inner_product.hpp:82-155 - exec+0.150.16
Loop 957 - inner_product.hpp:155-155 - exec0.090.1
Loop 955 - inner_product.hpp:82-83 - exec0.060.06
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.140.15
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.090.1
qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)exec0.080.09
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.070.08
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.070.08
Loop 252 - OneBodyJastrowRef.h:186-187 - exec0.020.02
Loop 247 - OneBodyJastrowRef.h:192-193 - exec0.010.01
Loop 249 - OneBodyJastrowRef.h:192-193 - exec0.010.02
Loop 248 - OneBodyJastrowRef.h:192-193 - exec0.010.02
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+exec0.060.07
Loop 937 - inner_product.hpp:210-212 - exec+0.060.07
Loop 938 - inner_product.hpp:210-212 - exec+0.060.07
Loop 939 - inner_product.hpp:210-212 - exec+0.060.07
Loop 940 - inner_product.hpp:211-212 - exec0.060.07
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.050.05
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.050.05
Loop 286 - OneBodyJastrowRef.h:134-155 - exec+0.040.04
Loop 288 - OneBodyJastrowRef.h:134-146 - exec+0.040.04
Loop 292 - BsplineFunctor.h:236-241 - exec0.040.04
__kmp_api_omp_get_levellibiomp5.so0.040.04
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.030.04
_dl_update_slotinfold-2.28.so0.030.04
qmcplusplus::TimerType::start()exec0.030.03
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)exec0.030.03
main.extracted.110+exec0.030.03
Loop 23 - stl_vector.h:296-933 - exec+0.030.03
Loop 37 - random.tcc:401-3338 - exec+0.030.03
Loop 38 - miniqmc.cpp:429-458 - exec0.030.03
miniqmcreference::OneBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec0.020.02
__dynamic_castlibstdc++.so.6.0.250.020.02
__kmp_get_global_thread_id_reglibiomp5.so0.020.02
kmp_flag_native::notdone_check()libiomp5.so0.020.02
qmcplusplus::TimerType::stop()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.6.0.250.020.02
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.020.02
Loop 273 - OneBodyJastrowRef.h:109-194 - exec+0.010.01
Loop 279 - OneBodyJastrowRef.h:192-193 - exec0.010.01
__tls_get_addrld-2.28.so0.020.02
mkl_blas_errchk_dgerlibmkl_intel_lp64.so.20.010.02
__kmp_get_ancestor_thread_numlibiomp5.so0.010.02
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)exec0.010.02
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.010.02
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.010.02
Loop 982 - stl_algobase.h:740-742 - exec0.010.02
DGEMVlibmkl_intel_lp64.so.20.010.01
__libm_exp_z0exec0.010.01
__kmpc_fork_calllibiomp5.so0.010.01
qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.010.01
qmcplusplus::VirtualParticleSet::makeMoves(qmcplusplus::ParticleSet const&, int, std::vector, std::allocator > > const&, bool, int)exec0.010.01
qmcplusplus::ParticleSet::computeNewPosDistTables(int, qmcplusplus::TinyVector const&, bool)exec0.010.01
qmcplusplus::ParticleSet::update(bool)+exec0.010.01
Loop 1213 - ParticleSet.cpp:242-243 - exec0.010.01
qmcplusplus::Vector >::resize(unsigned long, double)+exec0.010.01
Loop 297 - stl_algobase.h:752-754 - exec0.010.01
qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)exec0.010.01
mkl_blas_xdgemvlibmkl_core.so.200
mkl_blas_avx512_xdgerlibmkl_avx512.so.200
qmcplusplus::ParticleSet::acceptMove(int)exec00
miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)exec00
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)exec00
update_get_addrld-2.28.so00
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec00
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