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Profiling node o404 - process 478295 - thread 478325

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec28.9222.97
Loop 846 - MultiBsplineRef.hpp:42-71 - exec+28.8822.94
Loop 847 - MultiBsplineRef.hpp:63-71 - exec+28.8822.94
Loop 848 - MultiBsplineRef.hpp:64-71 - exec+28.8822.94
Loop 849 - MultiBsplineRef.hpp:68-70 - exec28.8822.94
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec16.7113.27
Loop 852 - MultiBsplineRef.hpp:187-286 - exec+14.7611.73
Loop 854 - MultiBsplineRef.hpp:226-262 - exec+14.2711.34
Loop 855 - MultiBsplineRef.hpp:227-262 - exec+14.2711.34
Loop 859 - MultiBsplineRef.hpp:242-262 - exec+14.2711.34
Loop 861 - MultiBsplineRef.hpp:242-262 - exec10.448.29
Loop 860 - MultiBsplineRef.hpp:242-261 - exec3.833.05
Loop 853 - MultiBsplineRef.hpp:276-286 - exec0.490.39
Loop 850 - einspline_spo_ref.hpp:219-227 - exec+0.860.68
Loop 851 - einspline_spo_ref.hpp:223-227 - exec0.860.68
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.211.919.45
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.211.749.32
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec9.517.55
Loop 2083 - SoaDistanceTableABOMPTarget.h:214-228 - exec+9.57.54
Loop 2084 - SoaDistanceTableABOMPTarget.h:215-228 - exec+9.57.54
Loop 2082 - SoaDistanceTableABOMPTarget.h:228-228 - exec9.57.54
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec5.044
Loop 1852 - SoaDistanceTableAAOMPTarget.h:440-442 - exec5.023.99
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec1.661.31
Loop 1363 - ParticleBConds3DSoa.h:235-256 - exec1.651.31
Loop 1362 - ParticleBConds3DSoa.h:235-256 - exec0.010
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec1.611.28
Loop 384 - TwoBodyJastrowRef.h:107-132 - exec+1.591.26
Loop 385 - BsplineFunctor.h:229-260 - exec+1.591.26
Loop 388 - TwoBodyJastrowRef.h:107-107 - exec1.511.2
Loop 386 - BsplineFunctor.h:246-260 - exec0.080.06
__intel_avx_rep_memset+exec1.611.28
Loop 2352 - - exec0.910.72
kmp_flag_64::wait(kmp_info*, int, void*)libiomp5.so1.471.16
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.431.14
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.21.020.81
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec0.980.78
Loop 363 - TwoBodyJastrowRef.h:324-331 - exec0.330.26
Loop 357 - TwoBodyJastrowRef.h:342-347 - exec0.240.19
Loop 361 - TwoBodyJastrowRef.h:342-347 - exec0.210.17
Loop 359 - TwoBodyJastrowRef.h:342-347 - exec0.190.15
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.20.760.61
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.640.5
Loop 971 - inner_product.hpp:82-155 - exec+0.630.5
Loop 973 - inner_product.hpp:155-155 - exec0.470.37
Loop 975 - inner_product.hpp:82-83 - exec0.160.13
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.620.49
Loop 352 - TwoBodyJastrowRef.h:155-156 - exec0.20.16
Loop 350 - TwoBodyJastrowRef.h:155-156 - exec0.180.14
Loop 351 - TwoBodyJastrowRef.h:155-156 - exec0.140.11
Loop 354 - stl_numeric.h:126-127 - exec0.070.05
Loop 355 - TwoBodyJastrowRef.h:269-274 - exec0.010
unknown_kernel_regionkernel0.580.46
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.570.45
Loop 960 - inner_product.hpp:155-155 - exec0.560.44
unknown_functionUnknown module0.560.44
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.50.39
Loop 332 - BsplineFunctor.h:291-297 - exec0.430.34
Loop 330 - BsplineFunctor.h:303-338 - exec0.060.04
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.390.31
Loop 961 - inner_product.hpp:155-155 - exec0.340.27
Loop 964 - inner_product.hpp:82-83 - exec0.040.04
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+exec0.310.25
Loop 862 - inner_product.hpp:82-83 - exec+0.310.25
Loop 864 - inner_product.hpp:82-83 - exec0.310.25
__intel_avx_rep_memcpyexec0.260.2
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.150.12
Loop 368 - TwoBodyJastrowRef.h:268-420 - exec+0.160.12
Loop 369 - stl_algobase.h:200-754 - exec+0.160.12
Loop 378 - TwoBodyJastrowRef.h:381-382 - exec0.040.03
Loop 370 - TwoBodyJastrowRef.h:393-398 - exec0.040.03
Loop 376 - TwoBodyJastrowRef.h:381-382 - exec0.030.02
Loop 374 - TwoBodyJastrowRef.h:381-382 - exec0.030.02
Loop 372 - TwoBodyJastrowRef.h:388-391 - exec0.010.01
Loop 380 - TwoBodyJastrowRef.h:375-376 - exec0.010.01
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.120.1
mkl_lapack_xdlaswplibmkl_core.so.20.120.09
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.090.07
Loop 954 - inner_product.hpp:82-155 - exec+0.090.07
Loop 958 - inner_product.hpp:155-155 - exec0.060.05
Loop 956 - inner_product.hpp:82-83 - exec0.030.02
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+exec0.060.05
Loop 938 - inner_product.hpp:210-212 - exec+0.060.05
Loop 939 - inner_product.hpp:210-212 - exec+0.060.05
Loop 940 - inner_product.hpp:210-212 - exec+0.060.05
Loop 941 - inner_product.hpp:211-212 - exec0.060.05
qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)+exec0.060.04
Loop 75 - NonLocalPP.hpp:122-135 - exec+0.020.01
Loop 76 - NonLocalPP.hpp:126-135 - exec+0.020.01
Loop 77 - NonLocalPP.hpp:131-132 - exec0.020.01
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.040.04
Loop 265 - OneBodyJastrowRef.h:192-193 - exec0.030.02
Loop 263 - OneBodyJastrowRef.h:192-193 - exec0.010
Loop 268 - OneBodyJastrowRef.h:186-187 - exec0.010
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.040.03
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.040.03
Loop 303 - OneBodyJastrowRef.h:134-155 - exec+0.030.02
Loop 305 - BsplineFunctor.h:229-260 - exec+0.030.02
Loop 308 - OneBodyJastrowRef.h:134-134 - exec0.030.02
qmcplusplus::TimerType::start()exec0.030.02
__dynamic_castlibstdc++.so.6.0.250.030.02
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.030.02
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.030.02
__kmp_get_global_thread_id_reglibiomp5.so0.030.02
kmp_flag_native::notdone_check()libiomp5.so0.030.02
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)+exec0.030.02
Loop 329 - OneBodyJastrowRef.h:214-219 - exec0.030.02
__kmp_api_omp_get_levellibiomp5.so0.020.01
qmcplusplus::Vector >::resize(unsigned long, double)+exec0.020.01
Loop 313 - stl_algobase.h:752-754 - exec0.020.01
mkl_blas_avx512_xdgemvlibmkl_avx512.so.20.010.01
__libm_exp_z0exec0.010.01
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.010.01
qmcplusplus::VirtualParticleSet::makeMoves(qmcplusplus::ParticleSet const&, int, std::vector, std::allocator > > const&, bool, int)exec0.010.01
qmcplusplus::ParticleSet::acceptMove(int)exec0.010.01
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)exec0.010.01
qmcplusplus::ParticleSet::update(bool)+exec0.010.01
Loop 1217 - ParticleSet.cpp:242-243 - exec0.010.01
qmcplusplus::Vector > >::resize(unsigned long, double)exec0.010.01
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.010.01
Loop 983 - stl_algobase.h:740-742 - exec0.010.01
miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec0.010.01
Loop 968 - DelayedUpdate.h:137-138 - exec0.010
__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
_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+0.020
Loop 297 - OneBodyJastrowRef.h:192-193 - exec0.010
Loop 296 - OneBodyJastrowRef.h:192-193 - exec0.010
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.010.01
mkl_blas_dgemvlibmkl_intel_thread.so.20.010
mkl_serv_lsamelibmkl_core.so.20.010
mkl_serv_cpu_detectlibmkl_core.so.20.010
mkl_blas_dger@pltlibmkl_intel_lp64.so.20.010
getPointer_notranslibmkl_avx512.so.20.010
mkl_blas_avx512_dgemm_copyanlibmkl_avx512.so.20.010
mkl_blas_avx512_xdgerlibmkl_avx512.so.20.010
__kmp_api_omp_get_ancestor_thread_numlibiomp5.so0.010
qmcplusplus::TimerType::stop()exec0.010
qmcplusplus::RealSpacePositionsOMPTarget::getAllParticlePos() constexec0.010
qmcplusplus::ParticleSet::getDistTableAB(int) constexec0.010
main.extracted.110+exec0.010
Loop 23 - new_allocator.h:101-125 - exec+0.010
Loop 35 - StdRandom.h:102-103 - exec+0.010
Loop 36 - miniqmc.cpp:429-458 - exec0.010
__tls_get_addrld-2.28.so0.010
.plt.sec@startlibiomp5.so0.010
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.200
qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec00
update_get_addrld-2.28.so00
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