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Profiling MPI #0.20 - node isix03.benchmarkcenter.megware.com - process 19948 - thread 20212

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec20.1317.24
Loop 917 - MultiBsplineRef.hpp:42-71 - exec+20.1217.24
Loop 918 - MultiBsplineRef.hpp:63-71 - exec+20.1217.24
Loop 919 - MultiBsplineRef.hpp:64-71 - exec+20.1217.24
Loop 920 - MultiBsplineRef.hpp:68-70 - exec20.1217.24
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.217.4114.91
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec15.5413.31
Loop 1944 - SoaDistanceTableAAOMPTarget.h:440-442 - exec15.5413.31
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.211.7310.04
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec10.869.30
Loop 923 - MultiBsplineRef.hpp:187-286 - exec+10.168.70
Loop 925 - MultiBsplineRef.hpp:226-262 - exec+9.948.51
Loop 926 - MultiBsplineRef.hpp:227-262 - exec+9.948.51
Loop 927 - MultiBsplineRef.hpp:242-262 - exec9.948.51
Loop 924 - MultiBsplineRef.hpp:276-286 - exec0.220.19
Loop 921 - einspline_spo_ref.hpp:219-227 - exec+0.680.58
Loop 922 - einspline_spo_ref.hpp:223-227 - exec0.680.58
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec7.716.60
Loop 2202 - SoaDistanceTableABOMPTarget.h:214-228 - exec+7.696.58
Loop 2203 - SoaDistanceTableABOMPTarget.h:215-228 - exec+7.696.58
Loop 2204 - SoaDistanceTableABOMPTarget.h:228-228 - exec7.696.58
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec2.151.84
Loop 404 - TwoBodyJastrowRef.h:107-132 - exec+2.111.81
Loop 405 - BsplineFunctor.h:236-260 - exec+2.111.81
Loop 408 - BsplineFunctor.h:236-241 - exec2.031.73
Loop 406 - BsplineFunctor.h:246-260 - exec0.090.07
kmp_flag_64::wait(kmp_info*, int, void*)libiomp5.so1.621.39
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec1.441.23
Loop 1399 - ParticleBConds3DSoa.h:235-256 - exec1.441.23
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.361.17
__intel_avx_rep_memset+exec1.231.05
Loop 2471 - - exec0.690.59
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.21.211.04
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec1.090.93
Loop 374 - TwoBodyJastrowRef.h:342-347 - exec0.320.27
Loop 376 - TwoBodyJastrowRef.h:342-347 - exec0.270.23
Loop 372 - TwoBodyJastrowRef.h:342-347 - exec0.270.23
Loop 378 - TwoBodyJastrowRef.h:324-331 - exec0.220.18
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.21.000.86
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.930.79
Loop 1040 - inner_product.hpp:82-155 - exec+0.930.79
Loop 1042 - inner_product.hpp:155-155 - exec0.620.53
Loop 1044 - inner_product.hpp:82-83 - exec0.300.26
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.620.53
Loop 1029 - inner_product.hpp:155-155 - exec0.610.52
__memcpy_avx512_unaligned_ermslibc.so.60.600.51
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.540.47
Loop 348 - BsplineFunctor.h:291-297 - exec0.440.38
Loop 346 - BsplineFunctor.h:303-338 - exec0.070.06
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.370.32
Loop 367 - TwoBodyJastrowRef.h:155-156 - exec0.120.10
Loop 366 - TwoBodyJastrowRef.h:155-156 - exec0.120.10
Loop 365 - TwoBodyJastrowRef.h:155-156 - exec0.120.10
Loop 369 - stl_numeric.h:140-141 - exec0.010.01
Loop 370 - TwoBodyJastrowRef.h:269-274 - exec0.010.00
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+exec0.260.22
Loop 1006 - inner_product.hpp:210-212 - exec+0.260.22
Loop 1008 - inner_product.hpp:211-212 - exec0.150.12
Loop 1007 - inner_product.hpp:211-212 - exec0.110.09
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+exec0.250.21
Loop 928 - inner_product.hpp:82-83 - exec+0.250.21
Loop 930 - inner_product.hpp:82-83 - exec0.250.21
unknown_kernel_regionkernel0.210.18
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.200.17
Loop 1030 - inner_product.hpp:155-155 - exec0.120.10
Loop 1033 - inner_product.hpp:82-83 - exec0.080.06
__intel_avx_rep_memcpyexec0.190.16
mkl_lapack_xdlaswplibmkl_core.so.20.170.14
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.160.13
qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)+exec0.110.09
Loop 87 - NonLocalPP.hpp:122-135 - exec+0.010.01
Loop 88 - NonLocalPP.hpp:126-135 - exec+0.010.01
Loop 89 - NonLocalPP.hpp:131-132 - exec0.010.01
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.100.08
Loop 1024 - inner_product.hpp:82-155 - exec+0.100.08
Loop 1027 - inner_product.hpp:155-155 - exec0.090.08
Loop 1025 - inner_product.hpp:82-83 - exec0.010.00
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.080.07
Loop 383 - TwoBodyJastrowRef.h:268-420 - exec+0.080.07
Loop 384 - TwoBodyJastrowRef.h:268-420 - exec+0.080.07
Loop 400 - TwoBodyJastrowRef.h:375-376 - exec0.020.01
Loop 390 - TwoBodyJastrowRef.h:397-398 - exec0.020.01
Loop 394 - TwoBodyJastrowRef.h:381-382 - exec0.020.01
Loop 398 - TwoBodyJastrowRef.h:381-382 - exec0.010.01
Loop 402 - stl_numeric.h:140-141 - exec0.010.01
Loop 396 - TwoBodyJastrowRef.h:381-382 - exec0.010.00
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.080.06
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.080.06
Loop 288 - OneBodyJastrowRef.h:186-187 - exec0.030.02
Loop 283 - OneBodyJastrowRef.h:192-193 - exec0.020.01
Loop 285 - OneBodyJastrowRef.h:192-193 - exec0.010.01
Loop 278 - stl_numeric.h:140-141 - exec0.010.00
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.070.06
Loop 323 - OneBodyJastrowRef.h:134-155 - exec+0.050.04
Loop 325 - OneBodyJastrowRef.h:134-146 - exec+0.050.04
Loop 328 - BsplineFunctor.h:236-241 - exec0.040.03
Loop 326 - BsplineFunctor.h:246-260 - exec0.010.00
qmcplusplus::TimerType::start()exec0.050.04
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.050.04
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.050.04
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.040.03
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.030.02
Loop 1052 - stl_algobase.h:911-912 - exec0.030.02
__kmp_get_global_thread_id_reglibiomp5.so0.020.02
qmcplusplus::Vector >::resize(unsigned long, double)+exec0.020.02
Loop 333 - stl_algobase.h:923-924 - exec0.020.02
__kmp_api_omp_get_levellibiomp5.so0.020.01
qmcplusplus::TimerType::stop()exec0.020.01
__dynamic_castlibstdc++.so.6.0.290.020.01
mkl_blas_avx512_d_generic_fullacopybcopylibmkl_avx512.so.20.010.01
mkl_blas_avx512_dgemm_copyanlibmkl_avx512.so.20.010.01
mkl_blas_avx512_xdgemvlibmkl_avx512.so.20.010.01
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)exec0.010.01
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)exec0.010.01
qmcplusplus::ParticleSet::getDistTableAB(int) constexec0.010.01
qmcplusplus::Vector > >::resize(unsigned long, double)exec0.010.01
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)exec0.010.01
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.010.01
Loop 310 - OneBodyJastrowRef.h:109-194 - exec+0.010.01
Loop 317 - OneBodyJastrowRef.h:192-193 - exec0.010.01
kmp_flag_native::notdone_check()libiomp5.so0.010.00
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