options

Profiling node o401 - process 189700 - thread 189899

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec24.2626.6
Loop 745 - MultiBsplineRef.hpp:42-71 - exec+24.2426.57
Loop 746 - MultiBsplineRef.hpp:63-71 - exec+24.2426.57
Loop 747 - MultiBsplineRef.hpp:64-71 - exec+24.2426.57
Loop 748 - MultiBsplineRef.hpp:68-70 - exec24.2426.57
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec17.2918.95
Loop 751 - MultiBsplineRef.hpp:187-286 - exec+15.4216.9
Loop 754 - MultiBsplineRef.hpp:226-262 - exec+15.1616.62
Loop 755 - MultiBsplineRef.hpp:227-262 - exec+15.1616.62
Loop 760 - MultiBsplineRef.hpp:242-262 - exec+15.1616.62
Loop 762 - MultiBsplineRef.hpp:242-262 - exec11.1312.2
Loop 761 - MultiBsplineRef.hpp:242-261 - exec4.034.42
Loop 753 - MultiBsplineRef.hpp:276-286 - exec0.260.28
Loop 749 - einspline_spo_ref.hpp:219-227 - exec+0.780.86
Loop 750 - einspline_spo_ref.hpp:223-227 - exec0.780.86
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.214.0315.38
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.212.5713.78
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec8.469.27
Loop 1963 - SoaDistanceTableABOMPTarget.h:214-228 - exec+8.459.26
Loop 1965 - SoaDistanceTableABOMPTarget.h:215-228 - exec+8.459.26
Loop 1964 - SoaDistanceTableABOMPTarget.h:228-228 - exec8.459.26
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec6.116.69
Loop 1724 - SoaDistanceTableAAOMPTarget.h:440-442 - exec6.16.69
__intel_avx_rep_memset+exec2.042.24
Loop 2247 - - exec1.041.13
qmcplusplus::BsplineFunctor::evaluateV(int, int, int, double const*, double*) const+exec1.731.9
Loop 252 - BsplineFunctor.h:236-241 - exec1.611.77
Loop 250 - BsplineFunctor.h:246-260 - exec0.10.11
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec1.511.66
Loop 1227 - ParticleBConds3DSoa.h:235-256 - exec1.511.66
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.281.41
kmp_flag_64::wait(kmp_info*, int, void*)libiomp5.so1.251.36
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec1.091.2
Loop 273 - TwoBodyJastrowRef.h:324-349 - exec+0.750.82
Loop 275 - TwoBodyJastrowRef.h:342-347 - exec0.750.82
Loop 278 - TwoBodyJastrowRef.h:324-331 - exec0.320.35
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.20.880.96
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.20.850.94
unknown_functionUnknown module0.750.83
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.70.76
Loop 864 - inner_product.hpp:82-155 - exec+0.70.76
Loop 866 - inner_product.hpp:155-155 - exec0.470.51
Loop 868 - inner_product.hpp:82-83 - exec0.230.25
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.620.68
Loop 248 - BsplineFunctor.h:291-298 - exec0.530.58
Loop 246 - BsplineFunctor.h:303-338 - exec0.070.08
pthread_spin_locklibpthread-2.28.so0.60.66
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.510.56
Loop 853 - inner_product.hpp:155-155 - exec0.50.55
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.470.51
Loop 269 - TwoBodyJastrowRef.h:155-156 - exec0.190.21
Loop 267 - TwoBodyJastrowRef.h:155-156 - exec0.110.13
Loop 265 - TwoBodyJastrowRef.h:155-156 - exec0.10.12
Loop 271 - stl_numeric.h:126-127 - exec0.040.04
unknown_kernel_regionkernel0.410.44
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+exec0.350.39
Loop 763 - inner_product.hpp:82-83 - exec+0.350.38
Loop 765 - inner_product.hpp:82-83 - exec0.350.38
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.290.32
Loop 854 - inner_product.hpp:155-155 - exec0.190.21
Loop 857 - inner_product.hpp:82-83 - exec0.090.09
__intel_avx_rep_memcpyexec0.240.26
mkl_lapack_xdlaswplibmkl_core.so.20.180.2
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.170.19
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.160.18
Loop 283 - TwoBodyJastrowRef.h:268-420 - exec+0.170.18
Loop 284 - TwoBodyJastrowRef.h:268-420 - exec+0.170.18
Loop 290 - TwoBodyJastrowRef.h:381-382 - exec0.040.04
Loop 292 - TwoBodyJastrowRef.h:381-382 - exec0.040.05
Loop 288 - TwoBodyJastrowRef.h:388-391 - exec0.030.03
Loop 294 - TwoBodyJastrowRef.h:381-382 - exec0.030.03
Loop 286 - TwoBodyJastrowRef.h:393-398 - exec0.020.02
Loop 296 - TwoBodyJastrowRef.h:375-376 - exec0.010.01
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.160.18
Loop 847 - inner_product.hpp:82-155 - exec+0.160.17
Loop 851 - inner_product.hpp:155-155 - exec0.130.14
Loop 849 - inner_product.hpp:82-83 - exec0.030.03
qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)+exec0.10.1
Loop 49 - NonLocalPP.hpp:122-135 - exec+0.020.02
Loop 50 - NonLocalPP.hpp:126-135 - exec+0.020.02
Loop 51 - NonLocalPP.hpp:131-132 - exec0.020.02
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.080.09
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.080.08
Loop 189 - OneBodyJastrowRef.h:186-187 - exec0.030.03
Loop 181 - OneBodyJastrowRef.h:192-193 - exec0.010.01
Loop 185 - OneBodyJastrowRef.h:192-193 - exec0.010.01
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.070.08
__kmp_api_omp_get_levellibiomp5.so0.060.07
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+exec0.060.06
Loop 832 - inner_product.hpp:210-212 - exec+0.060.06
Loop 833 - inner_product.hpp:210-212 - exec+0.060.06
Loop 834 - inner_product.hpp:210-212 - exec+0.060.06
Loop 835 - inner_product.hpp:211-212 - exec0.060.06
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.040.05
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.030.04
Loop 876 - stl_algobase.h:740-742 - exec0.030.04
qmcplusplus::TimerType::start()exec0.030.03
qmcplusplus::TimerType::stop()exec0.020.03
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.020.03
Loop 300 - TwoBodyJastrowRef.h:107-132 - exec+0.010.01
Loop 301 - TwoBodyJastrowRef.h:127-132 - exec0.010.01
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.020.03
Loop 210 - OneBodyJastrowRef.h:109-194 - exec+0.020.02
Loop 212 - OneBodyJastrowRef.h:192-193 - exec0.010.01
Loop 216 - OneBodyJastrowRef.h:192-193 - exec0.010.01
__tls_get_addrld-2.28.so0.020.03
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.020.02
__libm_exp_z0exec0.020.02
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)exec0.020.02
qmcplusplus::ParticleSet::acceptMove(int)exec0.020.02
miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)exec0.020.02
_dl_update_slotinfold-2.28.so0.020.02
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.020.02
__GI___pthread_getspecificlibpthread-2.28.so0.010.01
miniqmcreference::TwoBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010.01
update_get_addrld-2.28.so0.010.01
qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.010.01
Loop 74 - WaveFunction.cpp:185-188 - exec0.010.01
mkl_serv_set_xerbla_interfacelibmkl_intel_thread.so.20.010.01
mkl_serv_cpu_detectlibmkl_core.so.20.010.01
mkl_blas_avx512_damaxlibmkl_avx512.so.20.010.01
__kmp_yieldlibiomp5.so0.010.01
__libm_logl_exexec0.010.01
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, 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 >::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010.01
__dynamic_castlibstdc++.so.6.0.250.010.01
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.010.01
qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)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.200.01
mkl_blas_avx512_xdgemvlibmkl_avx512.so.200.01
__kmp_get_global_thread_id_reglibiomp5.so00.01
_intel_fast_memsetexec00.01
kmp_flag_native::notdone_check()libiomp5.so00.01
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)exec00.01
__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.6.0.2500.01
qmcplusplus::Vector >::resize(unsigned long, double)exec00.01
×