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Profiling node o404 - process 478294 - thread 478309

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec28.722.75
Loop 846 - MultiBsplineRef.hpp:42-71 - exec+28.6322.7
Loop 847 - MultiBsplineRef.hpp:63-71 - exec+28.6322.7
Loop 848 - MultiBsplineRef.hpp:64-71 - exec+28.6322.7
Loop 849 - MultiBsplineRef.hpp:68-70 - exec28.6322.7
Loop 845 - einspline_spo_ref.hpp:183-187 - exec0.010.01
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec17.814.11
Loop 852 - MultiBsplineRef.hpp:187-286 - exec+15.5512.32
Loop 854 - MultiBsplineRef.hpp:226-262 - exec+15.2212.06
Loop 855 - MultiBsplineRef.hpp:227-262 - exec+15.2212.06
Loop 859 - MultiBsplineRef.hpp:242-262 - exec+15.2212.06
Loop 861 - MultiBsplineRef.hpp:242-262 - exec8.436.68
Loop 860 - MultiBsplineRef.hpp:242-261 - exec6.795.38
Loop 853 - MultiBsplineRef.hpp:276-286 - exec0.330.26
Loop 850 - einspline_spo_ref.hpp:219-227 - exec+0.850.67
Loop 851 - einspline_spo_ref.hpp:223-227 - exec0.850.67
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.211.459.08
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.211.38.95
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec9.357.41
Loop 2083 - SoaDistanceTableABOMPTarget.h:214-228 - exec+9.337.4
Loop 2084 - SoaDistanceTableABOMPTarget.h:215-228 - exec+9.337.4
Loop 2082 - SoaDistanceTableABOMPTarget.h:228-228 - exec9.337.4
Loop 2085 - SoaDistanceTableABOMPTarget.h:194-196 - exec0.010
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec4.953.92
Loop 1852 - SoaDistanceTableAAOMPTarget.h:440-442 - exec4.923.9
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec1.761.39
Loop 1363 - ParticleBConds3DSoa.h:235-256 - exec1.751.39
kmp_flag_64::wait(kmp_info*, int, void*)libiomp5.so1.571.24
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec1.551.23
Loop 384 - TwoBodyJastrowRef.h:107-132 - exec+1.511.19
Loop 385 - BsplineFunctor.h:229-260 - exec+1.511.19
Loop 388 - TwoBodyJastrowRef.h:107-107 - exec1.411.11
Loop 386 - BsplineFunctor.h:246-260 - exec0.10.08
__intel_avx_rep_memset+exec1.491.18
Loop 2352 - - exec0.860.68
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.491.18
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.21.020.8
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec0.880.7
Loop 363 - TwoBodyJastrowRef.h:324-331 - exec0.260.2
Loop 361 - TwoBodyJastrowRef.h:342-347 - exec0.20.16
Loop 359 - TwoBodyJastrowRef.h:342-347 - exec0.20.15
Loop 357 - TwoBodyJastrowRef.h:342-347 - exec0.190.15
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.20.780.61
unknown_functionUnknown module0.730.58
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.670.53
Loop 332 - BsplineFunctor.h:291-297 - exec0.540.42
Loop 330 - BsplineFunctor.h:303-338 - exec0.090.07
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.620.49
Loop 971 - inner_product.hpp:82-155 - exec+0.620.49
Loop 973 - inner_product.hpp:155-155 - exec0.430.34
Loop 975 - inner_product.hpp:82-83 - exec0.190.15
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.590.47
Loop 351 - TwoBodyJastrowRef.h:155-156 - exec0.180.14
Loop 352 - TwoBodyJastrowRef.h:155-156 - exec0.140.11
Loop 350 - TwoBodyJastrowRef.h:155-156 - exec0.130.11
Loop 354 - stl_numeric.h:126-127 - exec0.110.09
Loop 355 - TwoBodyJastrowRef.h:269-274 - exec0.010
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.460.36
Loop 960 - inner_product.hpp:155-155 - exec0.460.36
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.360.28
Loop 961 - inner_product.hpp:155-155 - exec0.260.2
Loop 964 - inner_product.hpp:82-83 - exec0.080.06
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+exec0.350.27
Loop 862 - inner_product.hpp:82-83 - exec+0.330.26
Loop 864 - inner_product.hpp:82-83 - exec0.330.26
__intel_avx_rep_memcpyexec0.220.17
unknown_kernel_regionkernel0.220.17
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.140.11
Loop 368 - TwoBodyJastrowRef.h:268-420 - exec+0.140.1
Loop 369 - stl_algobase.h:200-754 - exec+0.140.1
Loop 378 - TwoBodyJastrowRef.h:381-382 - exec0.050.04
Loop 374 - TwoBodyJastrowRef.h:381-382 - exec0.040.03
Loop 370 - TwoBodyJastrowRef.h:393-398 - exec0.020.01
Loop 372 - TwoBodyJastrowRef.h:388-391 - exec0.010.01
Loop 376 - TwoBodyJastrowRef.h:381-382 - exec0.010
Loop 380 - TwoBodyJastrowRef.h:375-376 - exec0.010.01
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.110.08
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.110.08
Loop 954 - inner_product.hpp:82-155 - exec+0.110.08
Loop 958 - inner_product.hpp:155-155 - exec0.090.07
Loop 956 - inner_product.hpp:82-83 - exec0.020.01
mkl_lapack_xdlaswplibmkl_core.so.20.10.08
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.090.07
qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)+exec0.070.05
Loop 75 - NonLocalPP.hpp:122-135 - exec+0.030.02
Loop 76 - NonLocalPP.hpp:126-135 - exec+0.030.02
Loop 77 - NonLocalPP.hpp:131-132 - exec0.030.02
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+exec0.060.05
Loop 938 - inner_product.hpp:210-212 - exec+0.060.05
Loop 939 - inner_product.hpp:210-212 - exec+0.060.05
Loop 940 - inner_product.hpp:210-212 - exec+0.060.05
Loop 941 - inner_product.hpp:211-212 - exec0.060.05
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.060.05
Loop 268 - OneBodyJastrowRef.h:186-187 - exec0.030.02
Loop 257 - OneBodyJastrowRef.h:0-0 - exec0.010.01
Loop 263 - OneBodyJastrowRef.h:192-193 - exec0.010.01
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.060.05
qmcplusplus::TimerType::start()exec0.060.05
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.060.04
__kmp_api_omp_get_levellibiomp5.so0.040.04
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.040.04
Loop 303 - OneBodyJastrowRef.h:134-155 - exec+0.020.01
Loop 305 - BsplineFunctor.h:229-260 - exec+0.020.01
Loop 308 - OneBodyJastrowRef.h:134-134 - exec0.020.01
kmp_flag_native::notdone_check()libiomp5.so0.040.03
__dynamic_castlibstdc++.so.6.0.250.040.03
mkl_blas_avx512_xdgerlibmkl_avx512.so.20.030.02
mkl_blas_avx512_xdgemvlibmkl_avx512.so.20.030.02
__kmp_get_global_thread_id_reglibiomp5.so0.030.02
__libm_exp_z0exec0.030.02
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.030.02
Loop 983 - stl_algobase.h:740-742 - exec0.030.02
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.030.02
main.extracted.110+exec0.030.02
Loop 23 - new_allocator.h:101-125 - exec+0.030.02
Loop 35 - StdRandom.h:102-103 - exec+0.030.02
Loop 36 - miniqmc.cpp:429-458 - exec0.030.02
__tls_get_addrld-2.28.so0.030.02
mkl_blas_dgemvlibmkl_intel_thread.so.20.020.01
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.020.01
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.020.01
qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.020.01
qmcplusplus::TimerType::stop()exec0.020.01
qmcplusplus::ParticleSet::acceptMove(int)exec0.020.01
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)exec0.020.01
miniqmcreference::DiracDeterminantRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.020.01
miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec0.020.01
Loop 968 - DelayedUpdate.h:137-138 - exec0.010
miniqmcreference::OneBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec0.020.01
__kmp_api_omp_in_parallellibiomp5.so0.010.01
miniqmcreference::TwoBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010.01
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)+exec0.010.01
Loop 329 - OneBodyJastrowRef.h:214-219 - exec0.010.01
qmcplusplus::Vector >::resize(unsigned long, double)+exec0.010.01
Loop 313 - stl_algobase.h:752-754 - 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
Loop 290 - OneBodyJastrowRef.h:109-194 - exec+0.010.01
Loop 296 - OneBodyJastrowRef.h:192-193 - exec0.010.01
qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010.01
mkl_blas_errchk_dgemvlibmkl_intel_lp64.so.20.010
mkl_serv_domain_get_max_threadslibmkl_intel_thread.so.20.010
mkl_serv_intel_cpulibmkl_core.so.20.010
mkl_serv_deallocatelibmkl_core.so.20.010
mkl_blas_avx512_d_generic_fullacopybcopylibmkl_avx512.so.20.010
mkl_blas_avx512_xdgemm_nocopy_driverlibmkl_avx512.so.20.010
mkl_blas_avx512_dgemv_n_intrinsics@pltlibmkl_avx512.so.20.010
__kmp_get_ancestor_thread_numlibiomp5.so0.010
__libm_log_l9exec0.010
mkl_blas_xdger@pltlibmkl_intel_thread.so.20.010
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)exec0.010
qmcplusplus::RealSpacePositionsOMPTarget::getAllParticlePos() constexec0.010
qmcplusplus::ParticleSet::computeNewPosDistTables(int, qmcplusplus::TinyVector const&, bool)exec0.010
qmcplusplus::ParticleSet::update(bool)+exec0.010
Loop 1217 - ParticleSet.cpp:242-243 - exec0.010
qmcplusplus::ParticleSet::getDistTableAA(int) constexec0.010
qmcplusplus::Vector > >::resize(unsigned long, double)exec0.010
__GI___pthread_getspecificlibpthread-2.28.so0.010
__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
qmcplusplus::WaveFunction::acceptMove(qmcplusplus::ParticleSet&, int)exec0.010
_dl_update_slotinfold-2.28.so00
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