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Profiling node o404 - process 478295 - thread 478405

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec27.8522.05
Loop 846 - MultiBsplineRef.hpp:42-71 - exec+27.7721.99
Loop 847 - MultiBsplineRef.hpp:63-71 - exec+27.7721.99
Loop 848 - MultiBsplineRef.hpp:64-71 - exec+27.7721.99
Loop 849 - MultiBsplineRef.hpp:68-70 - exec27.7721.99
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec17.2913.69
Loop 852 - MultiBsplineRef.hpp:187-286 - exec+14.9611.86
Loop 854 - MultiBsplineRef.hpp:226-262 - exec+14.6211.59
Loop 855 - MultiBsplineRef.hpp:227-262 - exec+14.6211.59
Loop 859 - MultiBsplineRef.hpp:242-262 - exec+14.6211.59
Loop 861 - MultiBsplineRef.hpp:242-262 - exec7.876.24
Loop 860 - MultiBsplineRef.hpp:242-261 - exec6.755.35
Loop 853 - MultiBsplineRef.hpp:276-286 - exec0.340.27
Loop 850 - einspline_spo_ref.hpp:219-227 - exec+0.810.64
Loop 851 - einspline_spo_ref.hpp:223-227 - exec0.810.64
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.211.959.46
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.211.469.07
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec8.917.05
Loop 2083 - SoaDistanceTableABOMPTarget.h:214-228 - exec+8.887.03
Loop 2084 - SoaDistanceTableABOMPTarget.h:215-228 - exec+8.887.03
Loop 2082 - SoaDistanceTableABOMPTarget.h:228-228 - exec8.887.03
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec5.164.08
Loop 1852 - SoaDistanceTableAAOMPTarget.h:440-442 - exec5.154.08
kmp_flag_64::wait(kmp_info*, int, void*)libiomp5.so2.441.93
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec1.791.41
Loop 1363 - ParticleBConds3DSoa.h:235-256 - exec1.781.41
__intel_avx_rep_memset+exec1.721.36
Loop 2352 - - exec1.10.87
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.521.2
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec1.381.09
Loop 384 - TwoBodyJastrowRef.h:107-132 - exec+1.351.08
Loop 385 - BsplineFunctor.h:229-260 - exec+1.351.08
Loop 388 - TwoBodyJastrowRef.h:107-107 - exec1.261
Loop 386 - BsplineFunctor.h:246-260 - exec0.090.08
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec0.950.75
Loop 363 - TwoBodyJastrowRef.h:324-331 - exec0.260.2
Loop 357 - TwoBodyJastrowRef.h:342-347 - exec0.250.2
Loop 359 - TwoBodyJastrowRef.h:342-347 - exec0.220.17
Loop 361 - TwoBodyJastrowRef.h:342-347 - exec0.210.17
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.20.920.73
unknown_functionUnknown module0.760.6
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.20.730.58
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.680.54
Loop 332 - BsplineFunctor.h:291-297 - exec0.50.39
Loop 330 - BsplineFunctor.h:303-338 - exec0.110.08
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.640.51
Loop 971 - inner_product.hpp:82-155 - exec+0.640.5
Loop 973 - inner_product.hpp:155-155 - exec0.430.34
Loop 975 - inner_product.hpp:82-83 - exec0.210.16
unknown_kernel_regionkernel0.520.41
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.440.35
Loop 350 - TwoBodyJastrowRef.h:155-156 - exec0.140.11
Loop 351 - TwoBodyJastrowRef.h:155-156 - exec0.130.1
Loop 352 - TwoBodyJastrowRef.h:155-156 - exec0.10.08
Loop 354 - stl_numeric.h:126-127 - exec0.030.02
Loop 355 - TwoBodyJastrowRef.h:269-274 - exec0.010
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.40.32
Loop 960 - inner_product.hpp:155-155 - exec0.390.31
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.370.29
Loop 961 - inner_product.hpp:155-155 - exec0.310.25
Loop 964 - inner_product.hpp:82-83 - exec0.050.04
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+exec0.30.23
Loop 862 - inner_product.hpp:82-83 - exec+0.280.22
Loop 864 - inner_product.hpp:82-83 - exec0.280.22
__intel_avx_rep_memcpyexec0.210.16
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.20.16
Loop 368 - TwoBodyJastrowRef.h:268-420 - exec+0.20.15
Loop 369 - stl_algobase.h:200-754 - exec+0.20.15
Loop 370 - TwoBodyJastrowRef.h:393-398 - exec0.060.05
Loop 378 - TwoBodyJastrowRef.h:381-382 - exec0.040.03
Loop 372 - TwoBodyJastrowRef.h:388-391 - exec0.030.02
Loop 374 - TwoBodyJastrowRef.h:381-382 - exec0.030.02
Loop 376 - TwoBodyJastrowRef.h:381-382 - exec0.030.02
Loop 380 - TwoBodyJastrowRef.h:375-376 - exec0.010.01
mkl_lapack_xdlaswplibmkl_core.so.20.130.1
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.120.1
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.110.09
Loop 954 - inner_product.hpp:82-155 - exec+0.110.09
Loop 958 - inner_product.hpp:155-155 - exec0.10.08
Loop 956 - inner_product.hpp:82-83 - exec0.010.01
__kmp_api_omp_get_levellibiomp5.so0.080.06
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+exec0.080.06
Loop 938 - inner_product.hpp:210-212 - exec+0.080.06
Loop 939 - inner_product.hpp:210-212 - exec+0.080.06
Loop 940 - inner_product.hpp:210-212 - exec+0.080.06
Loop 941 - inner_product.hpp:211-212 - exec0.080.06
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.070.06
Loop 268 - OneBodyJastrowRef.h:186-187 - exec0.030.02
Loop 258 - stl_numeric.h:126-127 - exec0.010.01
Loop 263 - OneBodyJastrowRef.h:192-193 - exec0.010
Loop 264 - OneBodyJastrowRef.h:192-193 - exec0.010
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.060.05
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.050.04
Loop 303 - OneBodyJastrowRef.h:134-155 - exec+0.030.02
Loop 305 - BsplineFunctor.h:229-260 - exec+0.030.02
Loop 308 - OneBodyJastrowRef.h:134-134 - exec0.030.02
qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)exec0.050.04
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.040.03
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.040.03
__tls_get_addrld-2.28.so0.040.03
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.030.02
kmp_flag_native::notdone_check()libiomp5.so0.030.02
__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.6.0.250.030.02
qmcplusplus::TimerType::start()exec0.030.02
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.030.02
Loop 983 - stl_algobase.h:740-742 - exec0.030.02
__dynamic_castlibstdc++.so.6.0.250.030.02
mkl_blas_errchk_dgerlibmkl_intel_lp64.so.20.020.01
mkl_blas_avx512_xdgemm_nocopy_driverlibmkl_avx512.so.20.020.01
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.020.01
qmcplusplus::TimerType::stop()exec0.020.01
miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)exec0.020.01
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.020.01
Loop 290 - OneBodyJastrowRef.h:109-194 - exec+0.030
Loop 300 - OneBodyJastrowRef.h:186-187 - exec0.010
Loop 297 - OneBodyJastrowRef.h:192-193 - exec0.010
Loop 296 - OneBodyJastrowRef.h:192-193 - exec0.010
miniqmcreference::OneBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec0.020.01
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.020.01
mkl_serv_lsamelibmkl_core.so.20.010.01
mkl_serv_cpu_detectlibmkl_core.so.20.010.01
__kmp_get_ancestor_thread_numlibiomp5.so0.010.01
__kmp_get_global_thread_id_reglibiomp5.so0.010.01
__libm_exp_z0exec0.010.01
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)exec0.010.01
qmcplusplus::ParticleSet::acceptMove(int)exec0.010.01
__GI___pthread_getspecificlibpthread-2.28.so0.010.01
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
DGERlibmkl_intel_lp64.so.20.010
mkl_serv_set_num_threads_locallibmkl_intel_thread.so.20.010
mkl_blas_avx512_xdswaplibmkl_avx512.so.20.010
mkl_blas_avx512_xidamaxlibmkl_avx512.so.20.010
omp_in_parallel@pltlibmkl_intel_thread.so.20.010
__kmpc_fork_calllibiomp5.so0.010
qmcplusplus::ParticleSet::computeNewPosDistTables(int, qmcplusplus::TinyVector const&, bool)exec0.010
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)exec0.010
qmcplusplus::ParticleSet::update(bool)+exec0.010
Loop 1217 - ParticleSet.cpp:242-243 - exec0.010
__GI___sched_yieldlibc-2.28.so0.010
miniqmcreference::TwoBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010
qmcplusplus::Vector >::resize(unsigned long, double)+exec0.010
Loop 313 - stl_algobase.h:752-754 - exec0.010
_dl_update_slotinfold-2.28.so0.010
mkl_blas_avx512_xdgerlibmkl_avx512.so.200
qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec00
main.extracted.110exec00
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