options

Profiling node o404 - process 134982 - thread 135024

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec27.2121.85
Loop 870 - MultiBsplineRef.hpp:42-71 - exec+27.1321.79
Loop 871 - MultiBsplineRef.hpp:63-71 - exec+27.1321.79
Loop 872 - MultiBsplineRef.hpp:64-71 - exec+27.1321.79
Loop 873 - MultiBsplineRef.hpp:68-70 - exec27.1321.79
Loop 869 - einspline_spo_ref.hpp:183-187 - exec0.010
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.213.4610.82
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec12.8310.31
Loop 876 - MultiBsplineRef.hpp:187-286 - exec+11.69.32
Loop 878 - MultiBsplineRef.hpp:226-262 - exec+11.158.96
Loop 879 - MultiBsplineRef.hpp:227-262 - exec+11.158.96
Loop 880 - MultiBsplineRef.hpp:242-262 - exec11.158.96
Loop 877 - MultiBsplineRef.hpp:276-286 - exec0.450.36
Loop 874 - einspline_spo_ref.hpp:219-227 - exec+1.120.9
Loop 875 - einspline_spo_ref.hpp:223-227 - exec1.120.9
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.212.6110.13
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec9.957.99
Loop 2088 - SoaDistanceTableABOMPTarget.h:214-228 - exec+9.927.97
Loop 2089 - SoaDistanceTableABOMPTarget.h:215-228 - exec+9.927.97
Loop 2090 - SoaDistanceTableABOMPTarget.h:228-228 - exec9.927.97
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec4.973.99
Loop 1864 - SoaDistanceTableAAOMPTarget.h:440-442 - exec4.963.98
kmp_flag_64::wait(kmp_info*, int, void*)libiomp5.so3.512.82
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec1.991.6
Loop 1370 - ParticleBConds3DSoa.h:235-256 - exec1.951.57
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.661.33
__intel_avx_rep_memset+exec1.551.25
Loop 2345 - - exec0.850.68
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec1.331.07
Loop 389 - TwoBodyJastrowRef.h:107-132 - exec+1.321.05
Loop 390 - BsplineFunctor.h:229-260 - exec+1.321.05
Loop 393 - BsplineFunctor.h:236-241 - exec1.20.96
Loop 391 - BsplineFunctor.h:246-260 - exec0.120.09
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.21.010.82
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec0.830.66
Loop 361 - TwoBodyJastrowRef.h:342-347 - exec0.230.18
Loop 359 - TwoBodyJastrowRef.h:342-347 - exec0.20.16
Loop 363 - TwoBodyJastrowRef.h:324-331 - exec0.190.15
Loop 357 - TwoBodyJastrowRef.h:342-347 - exec0.170.13
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.20.820.66
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.650.52
Loop 351 - TwoBodyJastrowRef.h:155-156 - exec0.220.18
Loop 350 - TwoBodyJastrowRef.h:155-156 - exec0.190.15
Loop 352 - TwoBodyJastrowRef.h:155-156 - exec0.140.11
Loop 354 - stl_numeric.h:126-127 - exec0.060.04
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.610.49
Loop 992 - inner_product.hpp:82-155 - exec+0.610.48
Loop 994 - inner_product.hpp:155-155 - exec0.470.37
Loop 996 - inner_product.hpp:82-83 - exec0.140.11
unknown_functionUnknown module0.590.47
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.580.46
Loop 332 - BsplineFunctor.h:291-297 - exec0.480.38
Loop 330 - BsplineFunctor.h:303-338 - exec0.070.05
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.430.34
Loop 982 - inner_product.hpp:155-155 - exec0.340.27
Loop 985 - inner_product.hpp:82-83 - exec0.070.05
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.430.34
Loop 981 - inner_product.hpp:155-155 - exec0.420.33
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+exec0.380.3
Loop 881 - inner_product.hpp:82-83 - exec+0.370.29
Loop 883 - inner_product.hpp:82-83 - exec0.370.29
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+exec0.310.25
Loop 960 - inner_product.hpp:210-212 - exec+0.310.24
Loop 962 - inner_product.hpp:211-212 - exec0.170.13
Loop 961 - inner_product.hpp:211-212 - exec0.140.11
unknown_kernel_regionkernel0.290.23
__intel_avx_rep_memcpyexec0.220.18
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.160.12
Loop 368 - TwoBodyJastrowRef.h:268-420 - exec+0.160.1
Loop 370 - stl_algobase.h:752-754 - exec+0.160.1
Loop 383 - TwoBodyJastrowRef.h:381-382 - exec0.040.03
Loop 379 - TwoBodyJastrowRef.h:381-382 - exec0.030.02
Loop 373 - TwoBodyJastrowRef.h:397-398 - exec0.020.01
Loop 375 - TwoBodyJastrowRef.h:397-398 - exec0.020.02
Loop 371 - TwoBodyJastrowRef.h:397-398 - exec0.010
Loop 377 - TwoBodyJastrowRef.h:388-391 - exec0.010
Loop 387 - stl_numeric.h:126-127 - exec0.010
Loop 381 - TwoBodyJastrowRef.h:381-382 - exec0.010.01
Loop 374 - TwoBodyJastrowRef.h:397-398 - exec0.010.01
mkl_lapack_xdlaswplibmkl_core.so.20.130.1
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.110.09
Loop 263 - OneBodyJastrowRef.h:192-193 - exec0.020.01
Loop 265 - OneBodyJastrowRef.h:192-193 - exec0.020.01
Loop 258 - stl_numeric.h:126-127 - exec0.010
Loop 264 - OneBodyJastrowRef.h:192-193 - exec0.010.01
Loop 268 - OneBodyJastrowRef.h:186-187 - exec0.010.01
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 - exec0.080.06
Loop 977 - inner_product.hpp:82-83 - exec0.020.01
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.090.07
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.090.07
__kmp_api_omp_get_levellibiomp5.so0.070.06
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.070.06
Loop 303 - OneBodyJastrowRef.h:134-155 - exec+0.040.03
Loop 305 - BsplineFunctor.h:229-260 - exec+0.040.03
Loop 308 - BsplineFunctor.h:236-241 - exec0.040.03
kmp_flag_native::notdone_check()libiomp5.so0.070.05
qmcplusplus::TimerType::stop()exec0.060.05
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.050.04
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.050.04
Loop 1004 - stl_algobase.h:740-742 - exec0.050.04
qmcplusplus::TimerType::start()exec0.050.04
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)exec0.040.04
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.040.03
qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)exec0.040.03
__dynamic_castlibstdc++.so.6.0.250.030.02
main.extracted.110+exec0.030.02
Loop 24 - new_allocator.h:101-125 - exec+0.020.02
Loop 35 - StdRandom.h:102-103 - exec+0.020.02
Loop 36 - miniqmc.cpp:429-458 - exec0.020.02
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.020.02
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.020.02
__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.6.0.250.020.02
miniqmcreference::TwoBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec0.020.02
qmcplusplus::Vector >::resize(unsigned long, double)+exec0.020.02
Loop 313 - stl_algobase.h:752-754 - exec0.020.02
update_get_addrld-2.28.so0.020.02
__kmp_get_global_thread_id_reglibiomp5.so0.020.01
__libm_exp_z0exec0.020.01
qmcplusplus::ParticleSet::update(bool)+exec0.020.01
Loop 1225 - ParticleSet.cpp:242-243 - exec0.010.01
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)+exec0.020.01
Loop 329 - OneBodyJastrowRef.h:214-219 - exec0.020.01
mkl_blas_xdgemvlibmkl_core.so.20.010.01
mkl_blas_errchk_dgemvlibmkl_intel_lp64.so.20.010.01
mkl_blas_avx512_xdgemvlibmkl_avx512.so.20.010.01
__kmp_get_ancestor_thread_numlibiomp5.so0.010.01
qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.010.01
qmcplusplus::ParticleSet::acceptMove(int)exec0.010.01
qmcplusplus::ParticleSet::computeNewPosDistTables(int, qmcplusplus::TinyVector const&, bool)+exec0.010.01
Loop 1232 - ParticleSet.cpp:343-344 - exec0.010
miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)exec0.010.01
_dl_update_slotinfold-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 297 - OneBodyJastrowRef.h:192-193 - exec0.010.01
miniqmcreference::OneBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010.01
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.010.01
qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)exec0.010.01
DGEMMlibmkl_intel_lp64.so.20.010
mkl_serv_intel_cpulibmkl_core.so.20.010
mkl_serv_cpu_detectlibmkl_core.so.20.010
mkl_serv_get_dynamic@pltlibmkl_intel_thread.so.20.010
mkl_blas_avx512_d_generic_fullacopybcopylibmkl_avx512.so.20.010
mkl_blas_avx512_xdgemm_nocopy_driverlibmkl_avx512.so.20.010
__kmp_api_omp_in_parallellibiomp5.so0.010
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)exec0.010
qmcplusplus::RealSpacePositionsOMPTarget::getAllParticlePos() constexec0.010
qmcplusplus::ParticleSet::getDistTableAA(int) constexec0.010
qmcplusplus::Vector > >::resize(unsigned long, double)exec0.010
void qmcplusplus::DelayedUpdate::getInvRow > >(qmcplusplus::Matrix > const&, int, qmcplusplus::Vector >&)exec0.010
__GI___pthread_getspecificlibpthread-2.28.so0.010
__tls_get_addr_slowld-2.28.so0.010
qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010
__tls_get_addrld-2.28.so0.010
unknown_functionexec0.010
mkl_blas_avx512_xdgerlibmkl_avx512.so.200
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