options

Profiling node o401 - process 189700 - thread 189869

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec22.1924.59
Loop 745 - MultiBsplineRef.hpp:42-71 - exec+22.1624.55
Loop 746 - MultiBsplineRef.hpp:63-71 - exec+22.1624.55
Loop 747 - MultiBsplineRef.hpp:64-71 - exec+22.1624.55
Loop 748 - MultiBsplineRef.hpp:68-70 - exec22.1624.55
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec17.1118.96
Loop 751 - MultiBsplineRef.hpp:187-286 - exec+15.4217.09
Loop 754 - MultiBsplineRef.hpp:226-262 - exec+15.1616.8
Loop 755 - MultiBsplineRef.hpp:227-262 - exec+15.1616.8
Loop 760 - MultiBsplineRef.hpp:242-262 - exec+15.1616.8
Loop 762 - MultiBsplineRef.hpp:242-262 - exec10.6811.83
Loop 761 - MultiBsplineRef.hpp:242-261 - exec4.484.97
Loop 753 - MultiBsplineRef.hpp:276-286 - exec0.260.29
Loop 749 - einspline_spo_ref.hpp:219-227 - exec+0.790.88
Loop 750 - einspline_spo_ref.hpp:223-227 - exec0.790.88
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.214.2815.82
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.212.8214.21
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec7.748.58
Loop 1963 - SoaDistanceTableABOMPTarget.h:214-228 - exec+7.748.57
Loop 1965 - SoaDistanceTableABOMPTarget.h:215-228 - exec+7.748.57
Loop 1964 - SoaDistanceTableABOMPTarget.h:228-228 - exec7.748.57
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec6.917.66
Loop 1724 - SoaDistanceTableAAOMPTarget.h:440-442 - exec6.917.66
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec2.132.37
Loop 1227 - ParticleBConds3DSoa.h:235-256 - exec2.132.35
kmp_flag_64::wait(kmp_info*, int, void*)libiomp5.so2.022.24
__intel_avx_rep_memset+exec1.952.16
Loop 2247 - - exec1.11.22
qmcplusplus::BsplineFunctor::evaluateV(int, int, int, double const*, double*) const+exec1.531.7
Loop 252 - BsplineFunctor.h:236-241 - exec1.421.58
Loop 250 - BsplineFunctor.h:246-260 - exec0.080.09
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.381.53
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec1.131.25
Loop 273 - TwoBodyJastrowRef.h:324-349 - exec+0.810.89
Loop 275 - TwoBodyJastrowRef.h:342-347 - exec0.810.89
Loop 278 - TwoBodyJastrowRef.h:324-331 - exec0.30.33
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.20.931.03
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.20.911.01
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.890.99
Loop 864 - inner_product.hpp:82-155 - exec+0.90.99
Loop 866 - inner_product.hpp:155-155 - exec0.550.6
Loop 868 - inner_product.hpp:82-83 - exec0.350.39
unknown_functionUnknown module0.760.84
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.620.69
Loop 248 - BsplineFunctor.h:291-298 - exec0.520.57
Loop 246 - BsplineFunctor.h:303-338 - exec0.060.07
pthread_spin_locklibpthread-2.28.so0.60.66
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.590.65
Loop 853 - inner_product.hpp:155-155 - exec0.590.65
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.510.56
Loop 265 - TwoBodyJastrowRef.h:155-156 - exec0.160.18
Loop 269 - TwoBodyJastrowRef.h:155-156 - exec0.160.18
Loop 267 - TwoBodyJastrowRef.h:155-156 - exec0.110.12
Loop 271 - stl_numeric.h:126-127 - exec0.040.04
unknown_kernel_regionkernel0.420.47
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.420.46
Loop 854 - inner_product.hpp:155-155 - exec0.290.32
Loop 857 - inner_product.hpp:82-83 - exec0.120.13
__intel_avx_rep_memcpyexec0.320.35
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+exec0.270.3
Loop 763 - inner_product.hpp:82-83 - exec+0.270.3
Loop 765 - inner_product.hpp:82-83 - exec0.270.3
mkl_lapack_xdlaswplibmkl_core.so.20.170.19
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.160.18
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+exec0.140.16
Loop 832 - inner_product.hpp:210-212 - exec+0.140.16
Loop 833 - inner_product.hpp:210-212 - exec+0.140.16
Loop 834 - inner_product.hpp:210-212 - exec+0.140.16
Loop 835 - inner_product.hpp:211-212 - exec0.140.16
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.140.15
Loop 283 - TwoBodyJastrowRef.h:268-420 - exec+0.120.13
Loop 284 - TwoBodyJastrowRef.h:268-420 - exec+0.120.13
Loop 286 - TwoBodyJastrowRef.h:393-398 - exec0.060.07
Loop 294 - TwoBodyJastrowRef.h:381-382 - exec0.030.03
Loop 292 - TwoBodyJastrowRef.h:381-382 - exec0.010.01
Loop 296 - TwoBodyJastrowRef.h:375-376 - exec0.010.01
Loop 290 - TwoBodyJastrowRef.h:381-382 - exec0.010.01
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.120.13
Loop 847 - inner_product.hpp:82-155 - exec+0.120.13
Loop 851 - inner_product.hpp:155-155 - exec0.110.12
Loop 849 - inner_product.hpp:82-83 - exec0.010.01
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.080.09
qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)+exec0.060.07
Loop 49 - NonLocalPP.hpp:122-135 - exec+0.010.01
Loop 50 - NonLocalPP.hpp:126-135 - exec+0.010.01
Loop 51 - NonLocalPP.hpp:131-132 - exec0.010.01
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.060.07
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.060.07
Loop 189 - OneBodyJastrowRef.h:186-187 - exec0.020.02
Loop 179 - stl_numeric.h:126-127 - exec0.010.01
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.040.05
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.030.03
__kmp_get_global_thread_id_reglibiomp5.so0.030.03
qmcplusplus::TimerType::start()exec0.030.03
__tls_get_addrld-2.28.so0.030.03
__kmp_api_omp_get_levellibiomp5.so0.020.03
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.020.03
kmp_flag_native::notdone_check()libiomp5.so0.020.03
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.020.03
Loop 876 - stl_algobase.h:740-742 - exec0.020.03
_dl_update_slotinfold-2.28.so0.020.03
qmcplusplus::Vector >::resize(unsigned long, double)+exec0.020.02
Loop 230 - stl_algobase.h:752-754 - exec0.020.02
mkl_blas_dgemvlibmkl_intel_thread.so.20.010.01
mkl_blas_xdgemvlibmkl_core.so.20.010.01
__libm_exp_z0exec0.010.01
qmcplusplus::TimerType::stop()exec0.010.01
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)exec0.010.01
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)+exec0.010.01
Loop 244 - OneBodyJastrowRef.h:214-219 - exec0.010.01
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.010.01
Loop 223 - OneBodyJastrowRef.h:134-155 - exec+0.010.01
Loop 225 - OneBodyJastrowRef.h:143-146 - exec0.010.01
__kmp_get_ancestor_thread_numlibiomp5.so0.010.01
__libm_logl_exexec0.010.01
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)exec0.010.01
qmcplusplus::ParticleSet::update(bool)+exec0.010.01
Loop 1076 - ParticleSet.cpp:242-243 - 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
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.010.01
miniqmcreference::TwoBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010.01
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...exec0.010.01
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.010.01
main.extracted.110+exec0.010.01
Loop 24 - new_allocator.h:101-125 - exec+0.010.01
Loop 27 - miniqmc.cpp:425-461 - exec+0.010.01
Loop 28 - miniqmc.cpp:429-458 - exec0.010.01
mkl_blas_avx512_xdgerlibmkl_avx512.so.200
mkl_blas_avx512_xdgemvlibmkl_avx512.so.200
_intel_fast_memsetexec00
qmcplusplus::ParticleSet::acceptMove(int)exec00
miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)exec00
miniqmcreference::OneBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec00
qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)exec00
qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)exec00
×