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Profiling node skylake - process 854702 - thread 854702

NameModuleCoverage (%)Time (s)
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec43.6242.54
Loop 1107 - ParticleBConds.h:188-217 - exec40.4239.43
Loop 1106 - ParticleBConds.h:188-217 - exec3.193.11
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec15.9115.51
Loop 660 - einspline_spo_ref.hpp:175-176 - exec+15.8715.48
Loop 659 - MultiBsplineRef.hpp:65-74 - exec+15.8715.48
Loop 658 - MultiBsplineRef.hpp:66-74 - exec+15.8715.48
Loop 661 - MultiBsplineRef.hpp:72-74 - exec15.8715.48
Loop 657 - einspline_spo_ref.hpp:183-187 - exec0.010.01
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.29.629.38
void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)+exec9.048.82
Loop 737 - MultiBsplineRef.hpp:233-270 - exec+8.678.46
Loop 736 - MultiBsplineRef.hpp:234-270 - exec+8.678.46
Loop 739 - MultiBsplineRef.hpp:252-270 - exec8.678.46
Loop 738 - MultiBsplineRef.hpp:287-295 - exec0.350.34
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.29.038.8
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec1.571.53
Loop 596 - TwoBodyJastrowRef.h:148-155 - exec+1.231.2
Loop 597 - TwoBodyJastrowRef.h:153-154 - exec1.231.2
Loop 598 - stl_numeric.h:140-141 - exec0.340.33
__nss_database_lookuplibc.so.61.461.42
miniqmcreference::TwoBodyJastrowRef >::ratio(qmcplusplus::ParticleSet&, int)+exec0.940.92
Loop 306 - TwoBodyJastrowRef.h:125-130 - exec+0.910.88
Loop 307 - BsplineFunctor.h:236-241 - exec0.720.7
Loop 308 - BsplineFunctor.h:246-260 - exec0.190.18
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec0.90.88
Loop 593 - TwoBodyJastrowRef.h:332-353 - exec+0.60.58
Loop 594 - TwoBodyJastrowRef.h:340-345 - exec0.60.58
Loop 595 - TwoBodyJastrowRef.h:322-329 - exec0.30.29
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.20.840.82
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.20.760.75
miniqmcreference::DiracDeterminantRef >::ratio(qmcplusplus::ParticleSet&, int)+exec0.760.74
Loop 838 - inner_product.hpp:81-82 - exec0.760.74
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec0.740.72
Loop 740 - einspline_spo_ref.hpp:219-227 - exec+0.730.71
Loop 741 - einspline_spo_ref.hpp:223-227 - exec0.730.71
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.20.670.65
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.560.55
Loop 829 - DiracDeterminantRef.cpp:173-181 - exec+0.560.54
Loop 831 - inner_product.hpp:154-154 - exec0.350.34
Loop 830 - inner_product.hpp:81-82 - exec0.210.2
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.490.48
Loop 583 - BsplineFunctor.h:291-298 - exec0.370.37
Loop 585 - BsplineFunctor.h:305-336 - exec0.060.05
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.430.41
Loop 837 - inner_product.hpp:154-154 - exec0.430.41
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.40.39
Loop 825 - inner_product.hpp:154-154 - exec0.230.22
Loop 824 - inner_product.hpp:81-82 - exec0.160.16
miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)+exec0.320.31
Loop 568 - TwoBodyJastrowRef.h:265-396 - exec+0.310.3
Loop 572 - TwoBodyJastrowRef.h:265-396 - exec+0.310.3
Loop 570 - TwoBodyJastrowRef.h:375-381 - exec+0.140.14
Loop 575 - TwoBodyJastrowRef.h:379-380 - exec0.140.14
Loop 571 - TwoBodyJastrowRef.h:391-396 - exec+0.040.03
Loop 573 - TwoBodyJastrowRef.h:395-396 - exec0.040.03
Loop 574 - TwoBodyJastrowRef.h:386-389 - exec0.040.04
Loop 576 - TwoBodyJastrowRef.h:373-374 - exec0.030.03
Loop 569 - TwoBodyJastrowRef.h:266-268 - exec+0.030.03
Loop 578 - BsplineFunctor.h:291-298 - exec0.020.02
Loop 580 - BsplineFunctor.h:305-336 - exec0.010.01
Loop 577 - stl_numeric.h:140-141 - exec0.030.03
miniqmcreference::DiracDeterminantRef >::invertPsiM(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&)+exec0.250.24
Loop 855 - inner_product.hpp:209-211 - exec+0.250.24
Loop 854 - inner_product.hpp:210-211 - exec0.250.24
qmcplusplus::BsplineAllocator >::setCoefficientsForOrbitals(int, int, Array&, multi_UBspline_3d_d*) [clone ._omp_fn.0]+exec0.20.19
Loop 655 - BsplineAllocator.hpp:171-180 - exec+0.190.19
Loop 656 - BsplineAllocator.hpp:179-180 - exec0.190.19
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.180.17
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.160.15
Loop 599 - OneBodyJastrowRef.h:192-198 - exec+0.110.11
Loop 601 - OneBodyJastrowRef.h:196-197 - exec0.110.11
Loop 602 - OneBodyJastrowRef.h:190-191 - exec0.030.02
Loop 600 - stl_numeric.h:140-141 - exec0.020.01
qmcplusplus::TimerType::stop()+exec0.140.13
Loop 1243 - stl_tree.h:790-1953 - exec0.070.07
Loop 1239 - stl_tree.h:790-1953 - exec0.030.02
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.110.11
Loop 859 - DiracDeterminantRef.cpp:247-252 - exec+0.120.1
Loop 861 - inner_product.hpp:81-82 - exec0.060.05
Loop 860 - inner_product.hpp:154-154 - exec0.060.05
qmcplusplus::DistanceTableBA::evaluate(qmcplusplus::ParticleSet&)+exec0.110.1
Loop 1147 - DistanceTableBA.h:88-101 - exec+0.110.1
Loop 1148 - DistanceTableBA.h:89-101 - exec+0.110.1
Loop 1149 - DistanceTableBA.h:99-101 - exec0.110.1
unknown_function[vdso]0.080.08
qmcplusplus::BsplineFunctor::evaluateV(int, int, int, double const*, double*) const+exec0.070.07
Loop 644 - BsplineFunctor.h:236-241 - exec0.060.05
Loop 645 - BsplineFunctor.h:246-260 - exec0.020.01
mkl_lapack_xdlaswplibmkl_core.so.20.060.06
main._omp_fn.1+exec0.060.06
Loop 78 - OhmmsVector.h:46-249 - exec+0.060.05
Loop 79 - OperatorTags.h:53-63 - exec+0.060.05
Loop 80 - miniqmc.cpp:476-478 - exec0.030.02
Loop 82 - miniqmc.cpp:476-488 - exec+0.030.03
Loop 81 - OperatorTags.h:53-63 - exec0.030.03
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.050.04
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.040.03
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.040.03
Loop 842 - stl_algobase.h:262-1128 - exec+0.040.03
Loop 845 - stl_algobase.h:918-918 - exec0.040.03
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.030.03
qmcplusplus::TimerType::start()exec0.030.03
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.030.02
miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particl...+exec0.030.02
Loop 610 - OneBodyJastrowRef.h:113-198 - exec+0.030.02
Loop 612 - OneBodyJastrowRef.h:190-191 - exec0.010
Loop 609 - OneBodyJastrowRef.h:192-198 - exec+0.010.01
Loop 611 - OneBodyJastrowRef.h:196-197 - exec0.010.01
Loop 613 - stl_numeric.h:140-141 - exec0.010.01
unknown_kernel_regionkernel0.030.02
gomp_ialias_omp_get_wtimelibgomp.so.1.0.00.020.02
miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool)+exec0.020.02
Loop 592 - TwoBodyJastrowRef.h:266-271 - exec0.020.01
f64xsubf128libm.so.60.020.01
unknown_functionexec0.020.01
DGEMMlibmkl_intel_lp64.so.20.010.01
inflate_fastlibmpi.so.12.0.00.010.01
void qmcplusplus::expandSuperCell(qmcplusplus::ParticleSet&, qmcplusplus::Tensor const&)+exec0.010.01
Loop 1169 - ParticleAttrib.h:25-25 - exec+0.010.01
Loop 1177 - basic_string.h:805-805 - exec+0.010.01
Loop 1167 - OhmmsVector.h:185-301 - exec+0.010.01
Loop 1182 - ParticleIOUtility.h:65-91 - exec+0.010.01
Loop 1181 - ParticleIOUtility.h:67-91 - exec+0.010.01
Loop 1180 - ParticleIOUtility.h:68-91 - exec+0.010.01
Loop 1183 - ParticleIOUtility.h:69-91 - exec+0.010.01
Loop 1184 - ParticleIOUtility.h:70-91 - exec0.010.01
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&)exec0.010.01
miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)exec0.010.01
miniqmcreference::OneBodyJastrowRef >::ratio(qmcplusplus::ParticleSet&, int)exec0.010.01
gomp_ialias_omp_get_ancestor_thread_numlibgomp.so.1.0.00.010.01
qmcplusplus::WaveFunction::ratio(qmcplusplus::ParticleSet&, int)+exec0.010.01
Loop 157 - stl_vector.h:990-990 - exec0.010.01
mkl_lapack_ilaenvlibmkl_core.so.20.010
mkl_serv_set_xerbla_interfacelibmkl_sequential.so.20.010
mkl_blas_xdgemvlibmkl_core.so.20.010
DGEMVlibmkl_intel_lp64.so.20.010
mkl_blas_avx512_dtrsm_kernel_left_lowerlibmkl_avx512.so.20.010
mkl_blas_avx512_d_generic_fullacopybcopylibmkl_avx512.so.20.010
mkl_blas_avx512_xdgemm_nocopy_driverlibmkl_avx512.so.20.010
getutmplibc.so.60.010
__default_morecorelibc.so.60.010
adler32libmpi.so.12.0.00.010
qmcplusplus::TimerManager >::pop_timer(qmcplusplus::TimerType*)exec0.010
qmcplusplus::TimerManager >::push_timer(qmcplusplus::TimerType*)exec0.010
qmcplusplus::DistanceTableBA::update(int)+exec0.010
Loop 1150 - stl_algo.h:731-757 - exec0.010
qmcplusplus::DistanceTableBA::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int)exec0.010
qmcplusplus::createDistanceTable(qmcplusplus::ParticleSet const&, qmcplusplus::ParticleSet&)+exec0.010
Loop 1138 - Mallocator.hpp:47-79 - exec+0.010
Loop 1135 - VectorSoAContainer.h:53-172 - exec+0.010
Loop 1142 - VectorSoAContainer.h:167-172 - exec0.010
qmcplusplus::DistanceTableAA::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int)exec0.010
qmcplusplus::DistanceTableAA::evaluate(qmcplusplus::ParticleSet&, int)exec0.010
qmcplusplus::ParticleSet::acceptMove(int)exec0.010
qmcplusplus::ParticleSet::setActive(int)exec0.010
gomp_ialias_omp_get_levellibgomp.so.1.0.00.010
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*) [clone .isra.0]+exec0.010
Loop 204 - OneBodyJastrowRef.h:218-222 - exec0.010
qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.010
Loop 155 - stl_vector.h:990-990 - exec0.010
_dl_mcountld-linux-x86-64.so.20.010
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