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Profiling node o404 - process 186843 - thread 187044

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec27.2721.76
Loop 765 - MultiBsplineRef.hpp:42-71 - exec+27.2121.71
Loop 766 - MultiBsplineRef.hpp:63-71 - exec+27.2121.71
Loop 767 - MultiBsplineRef.hpp:64-71 - exec+27.2121.71
Loop 768 - MultiBsplineRef.hpp:68-70 - exec27.2121.71
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec17.1313.67
Loop 771 - MultiBsplineRef.hpp:187-286 - exec+12.7710.19
Loop 773 - MultiBsplineRef.hpp:226-262 - exec+12.39.81
Loop 774 - MultiBsplineRef.hpp:227-262 - exec+12.39.81
Loop 778 - MultiBsplineRef.hpp:242-262 - exec+12.39.81
Loop 780 - MultiBsplineRef.hpp:242-262 - exec8.276.6
Loop 779 - MultiBsplineRef.hpp:242-261 - exec4.033.21
Loop 772 - MultiBsplineRef.hpp:276-286 - exec0.470.38
Loop 769 - einspline_spo_ref.hpp:219-227 - exec+0.840.67
Loop 770 - einspline_spo_ref.hpp:223-227 - exec0.840.67
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.211.619.26
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.211.278.99
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec9.967.94
Loop 1986 - SoaDistanceTableABOMPTarget.h:214-228 - exec+9.947.93
Loop 1988 - SoaDistanceTableABOMPTarget.h:215-228 - exec+9.947.93
Loop 1987 - SoaDistanceTableABOMPTarget.h:228-228 - exec9.947.93
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec5.194.14
Loop 1742 - SoaDistanceTableAAOMPTarget.h:440-442 - exec5.194.14
kmp_flag_64::wait(kmp_info*, int, void*)libiomp5.so2.822.25
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec1.881.5
Loop 1244 - ParticleBConds3DSoa.h:235-256 - exec1.871.49
__intel_avx_rep_memset+exec1.561.24
Loop 2280 - - exec0.90.72
qmcplusplus::BsplineFunctor::evaluateV(int, int, int, double const*, double*) const+exec1.421.13
Loop 274 - BsplineFunctor.h:236-241 - exec1.361.08
Loop 272 - BsplineFunctor.h:246-260 - exec0.040.03
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.20.96
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.20.980.78
unknown_functionUnknown module0.810.65
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.20.770.61
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec0.70.56
Loop 295 - TwoBodyJastrowRef.h:324-349 - exec+0.430.34
Loop 297 - TwoBodyJastrowRef.h:342-347 - exec0.430.34
Loop 299 - TwoBodyJastrowRef.h:324-331 - exec0.230.18
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.660.53
Loop 271 - BsplineFunctor.h:291-297 - exec0.530.42
Loop 269 - BsplineFunctor.h:303-338 - exec0.040.03
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.630.5
Loop 883 - inner_product.hpp:82-155 - exec+0.630.5
Loop 885 - inner_product.hpp:155-155 - exec0.440.35
Loop 887 - inner_product.hpp:82-83 - exec0.190.15
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.540.43
Loop 291 - TwoBodyJastrowRef.h:155-156 - exec0.160.13
Loop 287 - TwoBodyJastrowRef.h:155-156 - exec0.150.12
Loop 289 - TwoBodyJastrowRef.h:155-156 - exec0.140.11
Loop 293 - stl_numeric.h:126-127 - exec0.050.04
Loop 294 - TwoBodyJastrowRef.h:269-274 - exec0.010
unknown_kernel_regionkernel0.510.41
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.420.33
Loop 872 - inner_product.hpp:155-155 - exec0.410.33
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+exec0.410.32
Loop 781 - inner_product.hpp:82-83 - exec+0.410.32
Loop 783 - inner_product.hpp:82-83 - exec0.410.32
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.310.25
Loop 873 - inner_product.hpp:155-155 - exec0.210.16
Loop 876 - inner_product.hpp:82-83 - exec0.070.05
__intel_avx_rep_memcpyexec0.180.14
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.160.13
Loop 304 - TwoBodyJastrowRef.h:268-420 - exec+0.160.1
Loop 305 - stl_algobase.h:200-754 - exec+0.160.1
Loop 310 - TwoBodyJastrowRef.h:381-382 - exec0.040.03
Loop 314 - TwoBodyJastrowRef.h:381-382 - exec0.030.02
Loop 316 - TwoBodyJastrowRef.h:375-376 - exec0.030.02
Loop 306 - TwoBodyJastrowRef.h:393-398 - exec0.030.02
Loop 308 - TwoBodyJastrowRef.h:388-391 - exec0.010
Loop 312 - TwoBodyJastrowRef.h:381-382 - exec0.010.01
Loop 318 - stl_numeric.h:126-127 - exec0.010
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.140.11
mkl_lapack_xdlaswplibmkl_core.so.20.140.11
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.110.09
Loop 866 - inner_product.hpp:82-155 - exec+0.110.09
Loop 870 - inner_product.hpp:155-155 - exec0.110.09
kmp_flag_native::notdone_check()libiomp5.so0.090.07
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+exec0.080.06
Loop 851 - inner_product.hpp:210-212 - exec+0.080.06
Loop 852 - inner_product.hpp:210-212 - exec+0.080.06
Loop 853 - inner_product.hpp:210-212 - exec+0.080.06
Loop 854 - inner_product.hpp:211-212 - exec0.080.06
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.070.05
Loop 207 - OneBodyJastrowRef.h:192-193 - exec0.020.01
Loop 202 - stl_numeric.h:126-127 - exec0.010
Loop 212 - OneBodyJastrowRef.h:186-187 - exec0.010.01
Loop 208 - OneBodyJastrowRef.h:192-193 - exec0.010
__dynamic_castlibstdc++.so.6.0.250.060.04
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.060.04
__kmp_api_omp_get_levellibiomp5.so0.060.04
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.040.03
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.040.03
qmcplusplus::TimerType::stop()+exec0.040.03
Loop 1455 - NewTimer.cpp:99-100 - exec0.010
_dl_update_slotinfold-2.28.so0.040.03
qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)+exec0.040.03
Loop 51 - NonLocalPP.hpp:122-135 - exec+0.010
Loop 52 - NonLocalPP.hpp:126-135 - exec+0.010
Loop 53 - NonLocalPP.hpp:131-132 - exec0.010
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.040.03
Loop 895 - stl_algobase.h:740-742 - exec0.040.03
qmcplusplus::Vector >::resize(unsigned long, double)+exec0.040.03
Loop 254 - stl_algobase.h:752-754 - exec0.040.03
__tls_get_addrld-2.28.so0.030.02
__kmp_get_global_thread_id_reglibiomp5.so0.030.02
qmcplusplus::TimerType::start()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
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)+exec0.030.02
Loop 268 - OneBodyJastrowRef.h:214-219 - exec0.030.02
mkl_blas_avx512_d_generic_fullacopybcopylibmkl_avx512.so.20.020.01
mkl_blas_avx512_xdgerlibmkl_avx512.so.20.020.01
__kmp_api_omp_in_parallellibiomp5.so0.020.01
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)exec0.020.01
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.020.01
qmcplusplus::ParticleSet::acceptMove(int)+exec0.020.01
Loop 1103 - ParticleSet.cpp:389-390 - exec0.020.01
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)exec0.020.01
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.020.01
Loop 320 - TwoBodyJastrowRef.h:107-132 - exec+0.010
Loop 321 - TwoBodyJastrowRef.h:127-132 - exec0.010
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.020.01
DGEMVlibmkl_intel_lp64.so.20.010.01
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.010.01
qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.010.01
qmcplusplus::RealSpacePositionsOMPTarget::getAllParticlePos() constexec0.010.01
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.010.01
Loop 234 - OneBodyJastrowRef.h:109-194 - exec+0.020
Loop 244 - OneBodyJastrowRef.h:186-187 - exec0.010
Loop 240 - OneBodyJastrowRef.h:192-193 - exec0.010
qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010.01
mkl_blas_dgemmlibmkl_intel_thread.so.20.010
mkl_blas_dgemvlibmkl_intel_thread.so.20.010
mkl_blas_xdgemvlibmkl_core.so.20.010
mkl_blas_errchk_dgemvlibmkl_intel_lp64.so.20.010
mkl_serv_set_num_threads_locallibmkl_intel_thread.so.20.010
mkl_blas_avx512_xdgemm_nocopy_driverlibmkl_avx512.so.20.010
mkl_blas_avx512_xdgemvlibmkl_avx512.so.20.010
__kmp_get_ancestor_thread_numlibiomp5.so0.010
__libm_exp_z0exec0.010
__libm_logl_exexec0.010
mkl_blas_xdger@pltlibmkl_intel_thread.so.20.010
qmcplusplus::RealSpacePositionsOMPTarget::setOneParticlePos(qmcplusplus::TinyVector const&, unsigned long)exec0.010
qmcplusplus::RealSpacePositions::resize(unsigned long)exec0.010
qmcplusplus::ParticleSet::computeNewPosDistTables(int, qmcplusplus::TinyVector const&, bool)exec0.010
qmcplusplus::ParticleSet::update(bool)+exec0.010
Loop 1090 - ParticleSet.cpp:242-243 - exec0.010
qmcplusplus::ParticleSet::getDistTableAA(int) constexec0.010
miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)exec0.010
qmcplusplus::BsplineAllocator >::setCoefficientsForOrbitals(int, int, Array&, multi_UBspline_3d_d*) [clone .extracted]exec0.010
__GI___pthread_getspecificlibpthread-2.28.so0.010
__tls_get_addr_slowld-2.28.so0.010
update_get_addrld-2.28.so0.010
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.010
Loop 247 - OneBodyJastrowRef.h:134-155 - exec+0.010
Loop 249 - OneBodyJastrowRef.h:143-146 - exec0.010
miniqmcreference::OneBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010
main.extracted.110+exec0.010
Loop 24 - new_allocator.h:101-125 - exec+0.010
Loop 27 - miniqmc.cpp:425-461 - exec+0.010
Loop 28 - miniqmc.cpp:429-458 - exec0.010
unknown_functionexec0.010
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