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Profiling node o405 - process 100575 - thread 100719

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec23.4325.81
Loop 870 - MultiBsplineRef.hpp:42-71 - exec+23.4225.8
Loop 871 - MultiBsplineRef.hpp:63-71 - exec+23.4225.8
Loop 872 - MultiBsplineRef.hpp:64-71 - exec+23.4225.8
Loop 873 - MultiBsplineRef.hpp:68-70 - exec23.4225.8
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.215.6717.26
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.214.5716.05
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec13.5514.93
Loop 876 - MultiBsplineRef.hpp:187-286 - exec+12.6213.9
Loop 878 - MultiBsplineRef.hpp:226-262 - exec+12.313.55
Loop 879 - MultiBsplineRef.hpp:227-262 - exec+12.313.55
Loop 880 - MultiBsplineRef.hpp:242-262 - exec12.313.55
Loop 877 - MultiBsplineRef.hpp:276-286 - exec0.320.35
Loop 874 - einspline_spo_ref.hpp:219-227 - exec+0.90.99
Loop 875 - einspline_spo_ref.hpp:223-227 - exec0.90.99
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec7.338.08
Loop 2088 - SoaDistanceTableABOMPTarget.h:214-228 - exec+7.328.06
Loop 2089 - SoaDistanceTableABOMPTarget.h:215-228 - exec+7.328.06
Loop 2090 - SoaDistanceTableABOMPTarget.h:228-228 - exec7.328.06
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec7.27.93
Loop 1864 - SoaDistanceTableAAOMPTarget.h:440-442 - exec7.27.93
__intel_avx_rep_memset+exec2.172.39
Loop 2345 - - exec1.251.38
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec2.162.38
Loop 1370 - ParticleBConds3DSoa.h:235-256 - exec2.152.37
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.491.65
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec1.371.51
Loop 389 - TwoBodyJastrowRef.h:107-132 - exec+1.311.45
Loop 390 - BsplineFunctor.h:229-260 - exec+1.311.45
Loop 393 - BsplineFunctor.h:236-241 - exec1.251.38
Loop 391 - BsplineFunctor.h:246-260 - exec0.060.07
kmp_flag_64::wait(kmp_info*, int, void*)libiomp5.so1.241.37
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec1.131.24
Loop 363 - TwoBodyJastrowRef.h:324-331 - exec0.320.35
Loop 357 - TwoBodyJastrowRef.h:342-347 - exec0.30.34
Loop 359 - TwoBodyJastrowRef.h:342-347 - exec0.250.27
Loop 361 - TwoBodyJastrowRef.h:342-347 - exec0.240.26
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.21.071.18
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.21.041.15
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.921.01
Loop 992 - inner_product.hpp:82-155 - exec+0.911.01
Loop 994 - inner_product.hpp:155-155 - exec0.650.72
Loop 996 - inner_product.hpp:82-83 - exec0.260.29
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.70.77
Loop 981 - inner_product.hpp:155-155 - exec0.70.77
unknown_functionUnknown module0.70.77
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.610.67
Loop 350 - TwoBodyJastrowRef.h:155-156 - exec0.20.22
Loop 351 - TwoBodyJastrowRef.h:155-156 - exec0.150.16
Loop 352 - TwoBodyJastrowRef.h:155-156 - exec0.140.16
Loop 354 - stl_numeric.h:126-127 - exec0.10.11
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.590.65
Loop 332 - BsplineFunctor.h:291-297 - exec0.510.56
Loop 330 - BsplineFunctor.h:303-338 - exec0.040.04
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.360.39
Loop 982 - inner_product.hpp:155-155 - exec0.240.26
Loop 985 - inner_product.hpp:82-83 - exec0.110.13
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.330.36
Loop 975 - inner_product.hpp:82-155 - exec+0.330.36
Loop 979 - inner_product.hpp:155-155 - exec0.280.31
Loop 977 - inner_product.hpp:82-83 - exec0.050.05
mkl_lapack_xdlaswplibmkl_core.so.20.270.29
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+exec0.240.26
Loop 881 - inner_product.hpp:82-83 - exec+0.240.26
Loop 883 - inner_product.hpp:82-83 - exec0.240.26
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+exec0.210.23
Loop 960 - inner_product.hpp:210-212 - exec+0.210.23
Loop 961 - inner_product.hpp:211-212 - exec0.110.12
Loop 962 - inner_product.hpp:211-212 - exec0.10.11
unknown_kernel_regionkernel0.170.19
__intel_avx_rep_memcpyexec0.170.18
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.150.17
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.120.13
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.110.12
Loop 368 - TwoBodyJastrowRef.h:268-420 - exec+0.10.1
Loop 370 - stl_algobase.h:752-754 - exec+0.10.1
Loop 381 - TwoBodyJastrowRef.h:381-382 - exec0.030.03
Loop 383 - TwoBodyJastrowRef.h:381-382 - exec0.020.02
Loop 377 - TwoBodyJastrowRef.h:388-391 - exec0.010.01
Loop 379 - TwoBodyJastrowRef.h:381-382 - exec0.010.01
Loop 385 - TwoBodyJastrowRef.h:375-376 - exec0.010.01
Loop 373 - TwoBodyJastrowRef.h:397-398 - exec0.010.01
Loop 374 - TwoBodyJastrowRef.h:397-398 - exec0.010.01
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.070.08
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.060.07
Loop 264 - OneBodyJastrowRef.h:192-193 - exec0.020.02
Loop 265 - OneBodyJastrowRef.h:192-193 - exec0.020.03
Loop 268 - OneBodyJastrowRef.h:186-187 - exec0.020.02
qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)exec0.060.07
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.050.06
__kmp_api_omp_get_levellibiomp5.so0.050.06
__tls_get_addrld-2.28.so0.040.05
qmcplusplus::TimerType::start()exec0.030.03
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.030.03
Loop 303 - OneBodyJastrowRef.h:134-155 - exec+0.020.03
Loop 305 - BsplineFunctor.h:229-260 - exec+0.020.03
Loop 308 - BsplineFunctor.h:236-241 - exec0.020.03
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.030.03
Loop 290 - OneBodyJastrowRef.h:109-194 - exec+0.020.02
Loop 296 - OneBodyJastrowRef.h:192-193 - exec0.010.01
Loop 295 - OneBodyJastrowRef.h:192-193 - exec0.010.01
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.020.03
__kmp_get_global_thread_id_reglibiomp5.so0.020.03
qmcplusplus::TimerType::stop()exec0.020.03
miniqmcreference::OneBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec0.020.03
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)exec0.020.02
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.020.02
Loop 1004 - stl_algobase.h:740-742 - exec0.020.02
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)+exec0.020.02
Loop 329 - OneBodyJastrowRef.h:214-219 - exec0.020.02
update_get_addrld-2.28.so0.020.02
qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.020.02
Loop 101 - WaveFunction.cpp:185-188 - exec0.010.01
main.extracted.110+exec0.020.02
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_dgemvlibmkl_intel_thread.so.20.010.01
mkl_blas_xdgemvlibmkl_core.so.20.010.01
mkl_blas_avx512_xdgerlibmkl_avx512.so.20.010.01
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.010.01
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, 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
__dynamic_castlibstdc++.so.6.0.250.010.01
DGEMVlibmkl_intel_lp64.so.20.010.01
mkl_blas_avx512_d_generic_fullacopybcopylibmkl_avx512.so.20.010.01
rml::internal::internalPoolMalloc(rml::internal::MemoryPool*, unsigned long)libiomp5.so0.010.01
__libm_exp_z0exec0.010.01
qmcplusplus::RealSpacePositionsOMPTarget::getAllParticlePos() constexec0.010.01
qmcplusplus::ParticleSet::acceptMove(int)exec0.010.01
qmcplusplus::ParticleSet::update(bool)exec0.010.01
__GI___pthread_getspecificlibpthread-2.28.so0.010.01
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
qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)exec0.010.01
mkl_blas_avx512_xdgemvlibmkl_avx512.so.200
__kmp_api_omp_in_parallellibiomp5.so00
kmp_flag_native::notdone_check()libiomp5.so00
miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)exec00
_dl_update_slotinfold-2.28.so00
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec00
_intel_fast_memsetexec00
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