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Profiling node o404 - process 426574 - thread 426634

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec27.5121.39
Loop 870 - MultiBsplineRef.hpp:42-71 - exec+27.4521.35
Loop 871 - MultiBsplineRef.hpp:63-71 - exec+27.4521.35
Loop 872 - MultiBsplineRef.hpp:64-71 - exec+27.4521.35
Loop 873 - MultiBsplineRef.hpp:68-70 - exec27.4521.35
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.213.6710.64
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec13.0810.18
Loop 876 - MultiBsplineRef.hpp:187-286 - exec+12.089.4
Loop 878 - MultiBsplineRef.hpp:226-262 - exec+11.629.04
Loop 879 - MultiBsplineRef.hpp:227-262 - exec+11.629.04
Loop 880 - MultiBsplineRef.hpp:242-262 - exec11.629.04
Loop 877 - MultiBsplineRef.hpp:276-286 - exec0.460.36
Loop 874 - einspline_spo_ref.hpp:219-227 - exec+0.930.72
Loop 875 - einspline_spo_ref.hpp:223-227 - exec0.930.72
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.212.9310.06
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec9.267.2
Loop 2088 - SoaDistanceTableABOMPTarget.h:214-228 - exec+9.227.17
Loop 2089 - SoaDistanceTableABOMPTarget.h:215-228 - exec+9.227.17
Loop 2090 - SoaDistanceTableABOMPTarget.h:228-228 - exec9.227.17
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec5.554.32
Loop 1864 - SoaDistanceTableAAOMPTarget.h:440-442 - exec5.554.32
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec2.041.59
Loop 1370 - ParticleBConds3DSoa.h:235-256 - exec2.041.58
kmp_flag_64::wait(kmp_info*, int, void*)libiomp5.so1.851.44
__intel_avx_rep_memset+exec1.711.33
Loop 2345 - - exec1.050.81
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.571.22
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec1.411.1
Loop 389 - TwoBodyJastrowRef.h:107-132 - exec+1.381.07
Loop 390 - BsplineFunctor.h:229-260 - exec+1.381.07
Loop 393 - BsplineFunctor.h:236-241 - exec1.291
Loop 391 - BsplineFunctor.h:246-260 - exec0.090.07
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.21.030.8
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.20.910.7
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec0.850.66
Loop 361 - TwoBodyJastrowRef.h:342-347 - exec0.220.17
Loop 357 - TwoBodyJastrowRef.h:342-347 - exec0.210.16
Loop 363 - TwoBodyJastrowRef.h:324-331 - exec0.210.16
Loop 359 - TwoBodyJastrowRef.h:342-347 - exec0.20.15
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.780.61
Loop 350 - TwoBodyJastrowRef.h:155-156 - exec0.240.18
Loop 352 - TwoBodyJastrowRef.h:155-156 - exec0.240.19
Loop 351 - TwoBodyJastrowRef.h:155-156 - exec0.190.15
Loop 354 - stl_numeric.h:126-127 - exec0.080.06
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.770.6
Loop 332 - BsplineFunctor.h:291-297 - exec0.60.47
Loop 330 - BsplineFunctor.h:303-338 - exec0.10.07
unknown_functionUnknown module0.730.57
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.70.55
Loop 992 - inner_product.hpp:82-155 - exec+0.70.55
Loop 994 - inner_product.hpp:155-155 - exec0.50.39
Loop 996 - inner_product.hpp:82-83 - exec0.20.16
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.530.42
Loop 982 - inner_product.hpp:155-155 - exec0.430.33
Loop 985 - inner_product.hpp:82-83 - exec0.10.07
unknown_kernel_regionkernel0.480.38
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.430.33
Loop 981 - inner_product.hpp:155-155 - exec0.430.33
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+exec0.320.25
Loop 960 - inner_product.hpp:210-212 - exec+0.320.25
Loop 961 - inner_product.hpp:211-212 - exec0.180.14
Loop 962 - inner_product.hpp:211-212 - exec0.140.11
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+exec0.260.2
Loop 881 - inner_product.hpp:82-83 - exec+0.260.2
Loop 883 - inner_product.hpp:82-83 - exec0.260.2
__intel_avx_rep_memcpyexec0.170.13
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.150.12
Loop 368 - TwoBodyJastrowRef.h:268-420 - exec+0.160.11
Loop 370 - stl_algobase.h:752-754 - exec+0.160.11
Loop 381 - TwoBodyJastrowRef.h:381-382 - exec0.050.04
Loop 379 - TwoBodyJastrowRef.h:381-382 - exec0.030.02
Loop 377 - TwoBodyJastrowRef.h:388-391 - exec0.030.02
Loop 375 - TwoBodyJastrowRef.h:397-398 - exec0.010
Loop 383 - TwoBodyJastrowRef.h:381-382 - exec0.010
Loop 385 - TwoBodyJastrowRef.h:375-376 - exec0.010.01
Loop 387 - stl_numeric.h:126-127 - exec0.010.01
Loop 374 - TwoBodyJastrowRef.h:397-398 - exec0.010.01
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.150.12
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.10.08
Loop 975 - inner_product.hpp:82-155 - exec+0.10.07
Loop 979 - inner_product.hpp:155-155 - exec0.090.07
Loop 977 - inner_product.hpp:82-83 - exec0.010
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.090.07
Loop 263 - OneBodyJastrowRef.h:192-193 - exec0.030.02
Loop 265 - OneBodyJastrowRef.h:192-193 - exec0.020.01
Loop 268 - OneBodyJastrowRef.h:186-187 - exec0.010.01
mkl_lapack_xdlaswplibmkl_core.so.20.080.06
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.060.04
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.060.04
Loop 303 - OneBodyJastrowRef.h:134-155 - exec+0.030.03
Loop 305 - BsplineFunctor.h:229-260 - exec+0.030.03
Loop 308 - BsplineFunctor.h:236-241 - exec0.030.03
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.050.04
__kmp_api_omp_get_levellibiomp5.so0.040.04
qmcplusplus::TimerType::start()exec0.040.04
qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)exec0.040.04
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.030.03
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.030.03
__kmp_get_ancestor_thread_numlibiomp5.so0.030.02
__kmp_get_global_thread_id_reglibiomp5.so0.030.02
qmcplusplus::TimerType::stop()exec0.030.02
__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
__libm_exp_z0exec0.020.01
__kmp_api_omp_in_parallellibiomp5.so0.020.01
qmcplusplus::Vector >::resize(unsigned long, double)+exec0.020.01
Loop 313 - stl_algobase.h:752-754 - exec0.020.01
update_get_addrld-2.28.so0.020.01
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.020.01
Loop 290 - OneBodyJastrowRef.h:109-194 - exec+0.020.01
Loop 297 - OneBodyJastrowRef.h:192-193 - exec0.010
Loop 296 - OneBodyJastrowRef.h:192-193 - exec0.010.01
__dynamic_castlibstdc++.so.6.0.250.020.01
qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.020.01
Loop 102 - WaveFunction.cpp:198-201 - exec0.010
main.extracted.110+exec0.020.01
Loop 24 - new_allocator.h:101-125 - exec+0.020.01
Loop 35 - StdRandom.h:102-103 - exec+0.020.01
Loop 36 - miniqmc.cpp:429-458 - exec0.020.01
kmp_flag_native::notdone_check()libiomp5.so0.010.01
qmcplusplus::ParticleSet::acceptMove(int)exec0.010.01
qmcplusplus::ParticleSet::getDistTableAA(int) constexec0.010.01
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.010.01
Loop 1004 - stl_algobase.h:740-742 - exec0.010.01
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)+exec0.010.01
Loop 329 - OneBodyJastrowRef.h:214-219 - exec0.010.01
__tls_get_addrld-2.28.so0.010.01
DGEMVlibmkl_intel_lp64.so.20.010
mkl_blas_dgerlibmkl_intel_thread.so.20.010
mkl_serv_set_xerbla_interfacelibmkl_intel_thread.so.20.010
mkl_blas_avx512_xdscallibmkl_avx512.so.20.010
mkl_blas_avx512_d_generic_fullacopybcopylibmkl_avx512.so.20.010
mkl_blas_avx512_dgemm_copybnlibmkl_avx512.so.20.010
mkl_blas_avx512_xdgerlibmkl_avx512.so.20.010
mkl_blas_avx512_xdgemvlibmkl_avx512.so.20.010
_intel_fast_memsetexec0.010
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)exec0.010
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.010
qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.010
qmcplusplus::RealSpacePositionsOMPTarget::getAllParticlePos() constexec0.010
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)exec0.010
qmcplusplus::ParticleSet::update(bool)+exec0.010
Loop 1225 - ParticleSet.cpp:242-243 - exec0.010
qmcplusplus::ParticleSet::getDistTableAB(int) constexec0.010
qmcplusplus::Vector > >::resize(unsigned long, double)+exec0.010
Loop 1058 - stl_algobase.h:752-754 - exec0.010
miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)exec0.010
void qmcplusplus::DelayedUpdate::getInvRow > >(qmcplusplus::Matrix > const&, int, qmcplusplus::Vector >&)exec0.010
__GI___pthread_getspecificlibpthread-2.28.so0.010
__cxxabiv1::__si_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
miniqmcreference::TwoBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010
_dl_update_slotinfold-2.28.so0.010
miniqmcreference::OneBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)exec0.010
miniqmcreference::OneBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.010
qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010
unknown_functionexec0.010
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