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Profiling MPI #4.28 - node isix03.benchmarkcenter.megware.com - process 19947 - thread 20329

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec20.8017.65
Loop 917 - MultiBsplineRef.hpp:42-71 - exec+20.7817.64
Loop 918 - MultiBsplineRef.hpp:63-71 - exec+20.7817.64
Loop 919 - MultiBsplineRef.hpp:64-71 - exec+20.7817.64
Loop 920 - MultiBsplineRef.hpp:68-70 - exec20.7817.64
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.218.6015.79
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec15.0412.77
Loop 1944 - SoaDistanceTableAAOMPTarget.h:440-442 - exec15.0412.76
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.212.3210.45
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec10.538.93
Loop 923 - MultiBsplineRef.hpp:187-286 - exec+9.928.41
Loop 925 - MultiBsplineRef.hpp:226-262 - exec+9.808.31
Loop 926 - MultiBsplineRef.hpp:227-262 - exec+9.808.31
Loop 927 - MultiBsplineRef.hpp:242-262 - exec9.808.31
Loop 924 - MultiBsplineRef.hpp:276-286 - exec0.120.10
Loop 921 - einspline_spo_ref.hpp:219-227 - exec+0.580.49
Loop 922 - einspline_spo_ref.hpp:223-227 - exec0.580.49
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec6.715.70
Loop 2202 - SoaDistanceTableABOMPTarget.h:214-228 - exec+6.715.70
Loop 2203 - SoaDistanceTableABOMPTarget.h:215-228 - exec+6.715.70
Loop 2204 - SoaDistanceTableABOMPTarget.h:228-228 - exec6.715.70
kmp_flag_64::wait(kmp_info*, int, void*)libiomp5.so2.121.80
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec1.991.69
Loop 404 - TwoBodyJastrowRef.h:107-132 - exec+1.961.67
Loop 405 - BsplineFunctor.h:236-260 - exec+1.961.67
Loop 408 - BsplineFunctor.h:236-241 - exec1.881.60
Loop 406 - BsplineFunctor.h:246-260 - exec0.080.07
__intel_avx_rep_memset+exec1.311.12
Loop 2471 - - exec0.800.68
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec1.281.08
Loop 1399 - ParticleBConds3DSoa.h:235-256 - exec1.271.08
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.171.00
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.21.070.90
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.910.78
Loop 1040 - inner_product.hpp:82-155 - exec+0.910.78
Loop 1042 - inner_product.hpp:155-155 - exec0.640.55
Loop 1044 - inner_product.hpp:82-83 - exec0.270.23
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.20.910.77
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec0.870.73
Loop 376 - TwoBodyJastrowRef.h:342-347 - exec0.240.20
Loop 374 - TwoBodyJastrowRef.h:342-347 - exec0.240.20
Loop 378 - TwoBodyJastrowRef.h:324-331 - exec0.210.18
Loop 372 - TwoBodyJastrowRef.h:342-347 - exec0.180.15
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.530.45
Loop 1029 - inner_product.hpp:155-155 - exec0.520.44
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.450.38
Loop 348 - BsplineFunctor.h:291-297 - exec0.410.35
Loop 346 - BsplineFunctor.h:303-338 - exec0.040.03
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.430.36
Loop 367 - TwoBodyJastrowRef.h:155-156 - exec0.160.14
Loop 366 - TwoBodyJastrowRef.h:155-156 - exec0.140.12
Loop 365 - TwoBodyJastrowRef.h:155-156 - exec0.110.09
Loop 369 - stl_numeric.h:140-141 - exec0.020.02
__memcpy_avx512_unaligned_ermslibc.so.60.400.34
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.280.24
Loop 1030 - inner_product.hpp:155-155 - exec0.190.17
Loop 1033 - inner_product.hpp:82-83 - exec0.090.08
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+exec0.230.19
Loop 928 - inner_product.hpp:82-83 - exec+0.230.19
Loop 930 - inner_product.hpp:82-83 - exec0.230.19
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+exec0.220.19
Loop 1006 - inner_product.hpp:210-212 - exec+0.210.18
Loop 1008 - inner_product.hpp:211-212 - exec0.110.09
Loop 1007 - inner_product.hpp:211-212 - exec0.100.09
Loop 1000 - DiracMatrix.h:112-113 - exec0.010.00
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.160.13
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.150.13
Loop 1024 - inner_product.hpp:82-155 - exec+0.150.13
Loop 1027 - inner_product.hpp:155-155 - exec0.110.09
Loop 1025 - inner_product.hpp:82-83 - exec0.040.04
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.150.12
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.150.12
Loop 383 - TwoBodyJastrowRef.h:268-420 - exec+0.140.12
Loop 384 - TwoBodyJastrowRef.h:268-420 - exec+0.140.12
Loop 398 - TwoBodyJastrowRef.h:381-382 - exec0.050.04
Loop 396 - TwoBodyJastrowRef.h:381-382 - exec0.030.02
Loop 400 - TwoBodyJastrowRef.h:375-376 - exec0.020.02
Loop 394 - TwoBodyJastrowRef.h:381-382 - exec0.020.02
Loop 391 - TwoBodyJastrowRef.h:397-398 - exec0.010.01
Loop 389 - TwoBodyJastrowRef.h:397-398 - exec0.010.00
Loop 392 - TwoBodyJastrowRef.h:388-391 - exec0.010.00
mkl_lapack_xdlaswplibmkl_core.so.20.140.12
unknown_kernel_regionkernel0.140.12
__intel_avx_rep_memcpyexec0.110.09
qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)exec0.100.09
qmcplusplus::TimerType::start()+exec0.070.06
Loop 1630 - NewTimer.cpp:53-54 - exec0.010.00
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.060.05
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.060.05
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.050.05
Loop 323 - OneBodyJastrowRef.h:134-155 - exec+0.040.03
Loop 325 - OneBodyJastrowRef.h:134-146 - exec+0.040.03
Loop 328 - BsplineFunctor.h:236-241 - exec0.040.03
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.050.05
Loop 288 - OneBodyJastrowRef.h:186-187 - exec0.030.02
Loop 283 - OneBodyJastrowRef.h:192-193 - exec0.010.01
Loop 285 - OneBodyJastrowRef.h:192-193 - exec0.010.00
Loop 284 - OneBodyJastrowRef.h:192-193 - exec0.010.00
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.040.03
Loop 1052 - stl_algobase.h:911-912 - exec0.040.03
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.030.02
__kmp_get_global_thread_id_reglibiomp5.so0.030.02
qmcplusplus::Vector >::resize(unsigned long, double)+exec0.030.02
Loop 333 - stl_algobase.h:923-924 - exec0.030.02
__kmp_api_omp_get_levellibiomp5.so0.020.02
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.020.02
Loop 310 - OneBodyJastrowRef.h:109-194 - exec+0.010.01
Loop 316 - OneBodyJastrowRef.h:192-193 - exec0.010.01
__kmp_get_ancestor_thread_numlibiomp5.so0.010.01
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)exec0.010.01
__kmpc_end_serialized_parallellibiomp5.so0.010.01
qmcplusplus::TimerType::stop()exec0.010.01
qmcplusplus::VirtualParticleSet::makeMoves(qmcplusplus::ParticleSet const&, int, std::vector, std::allocator > > const&, bool, int)exec0.010.01
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)exec0.010.01
qmcplusplus::ParticleSet::update(bool)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.6.0.290.010.01
__dynamic_castlibstdc++.so.6.0.290.010.01
__libm_exp_z0exec0.010.00
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