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Profiling MPI #2.32 - node isix03.benchmarkcenter.megware.com - process 59881 - thread 60328

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec20.0416.86
Loop 953 - einspline_spo_ref.hpp:175-176 - exec+20.0216.84
Loop 955 - MultiBsplineRef.hpp:63-71 - exec+20.0216.84
Loop 954 - MultiBsplineRef.hpp:64-71 - exec+20.0216.84
Loop 956 - MultiBsplineRef.hpp:68-71 - exec20.0216.84
Loop 952 - einspline_spo_ref.hpp:183-187 - exec0.010.00
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.217.3814.62
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec15.1612.75
Loop 2539 - SoaDistanceTableAAOMPTarget.h:440-442 - exec15.1612.75
void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)+exec13.5311.38
Loop 1023 - MultiBsplineRef.hpp:226-262 - exec+13.0710.99
Loop 1022 - MultiBsplineRef.hpp:227-262 - exec+13.0710.99
Loop 1021 - MultiBsplineRef.hpp:242-262 - exec13.0710.99
Loop 1020 - MultiBsplineRef.hpp:276-286 - exec0.450.38
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.211.719.85
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec7.626.41
Loop 3108 - SoaDistanceTableABOMPTarget.h:214-228 - exec+7.616.40
Loop 3107 - SoaDistanceTableABOMPTarget.h:215-228 - exec+7.616.40
Loop 3109 - SoaDistanceTableABOMPTarget.h:228-228 - exec7.616.40
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec2.382.01
Loop 380 - TwoBodyJastrowRef.h:107-132 - exec+2.351.98
Loop 381 - TwoBodyJastrowRef.h:127-132 - exec+2.351.98
Loop 382 - BsplineFunctor.h:236-241 - exec2.261.91
Loop 383 - BsplineFunctor.h:246-260 - exec0.090.07
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.351.14
qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)+exec1.180.99
Loop 2652 - ParticleBConds3DSoa.h:237-255 - exec0.630.53
Loop 2653 - ParticleBConds3DSoa.h:237-255 - exec0.540.45
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.21.090.92
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec0.990.83
Loop 617 - TwoBodyJastrowRef.h:334-355 - exec+0.640.54
Loop 619 - TwoBodyJastrowRef.h:342-347 - exec0.640.54
Loop 620 - TwoBodyJastrowRef.h:324-331 - exec0.320.27
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.20.900.76
__memset_avx512_unaligned_ermslibc.so.60.850.71
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.810.68
Loop 1130 - DiracDeterminantRef.cpp:173-178 - exec+0.810.68
Loop 1131 - inner_product.hpp:155-155 - exec0.550.47
Loop 1132 - inner_product.hpp:82-83 - exec0.260.21
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.710.60
Loop 288 - TwoBodyJastrowRef.h:150-157 - exec+0.360.30
Loop 287 - TwoBodyJastrowRef.h:150-157 - exec+0.360.30
Loop 286 - TwoBodyJastrowRef.h:150-157 - exec+0.360.30
Loop 285 - TwoBodyJastrowRef.h:155-156 - exec0.360.30
Loop 290 - TwoBodyJastrowRef.h:269-271 - exec+0.300.25
Loop 291 - BsplineFunctor.h:291-298 - exec0.250.21
Loop 293 - BsplineFunctor.h:305-336 - exec0.050.04
Loop 289 - stl_numeric.h:140-141 - exec0.030.02
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec0.650.55
Loop 1024 - einspline_spo_ref.hpp:219-227 - exec+0.640.53
Loop 1025 - einspline_spo_ref.hpp:223-227 - exec0.640.53
Loop 1026 - einspline_spo_ref.hpp:206-207 - exec0.010.00
__memcpy_avx512_unaligned_ermslibc.so.60.630.53
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.490.41
Loop 1127 - inner_product.hpp:155-155 - exec0.490.41
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.310.26
Loop 1148 - inner_product.hpp:210-212 - exec+0.210.18
Loop 1150 - inner_product.hpp:210-212 - exec+0.210.18
Loop 1149 - inner_product.hpp:211-212 - exec0.210.18
Loop 1137 - DiracDeterminantRef.cpp:247-252 - exec+0.100.08
Loop 1139 - inner_product.hpp:155-155 - exec0.070.06
Loop 1138 - inner_product.hpp:82-83 - exec0.020.02
miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool)+exec0.260.21
Loop 613 - TwoBodyJastrowRef.h:269-271 - exec+0.240.20
Loop 614 - BsplineFunctor.h:291-298 - exec0.220.18
Loop 616 - BsplineFunctor.h:305-336 - exec0.020.01
miniqmcreference::DiracDeterminantRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.250.21
Loop 1125 - SPOSet.h:83-86 - exec+0.240.20
Loop 1126 - inner_product.hpp:82-83 - exec0.240.20
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.200.16
Loop 1123 - inner_product.hpp:155-155 - exec0.090.07
Loop 1124 - inner_product.hpp:82-83 - exec0.090.07
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)+exec0.190.16
Loop 2888 - ParticleBConds3DSoa.h:237-255 - exec0.110.09
Loop 2889 - ParticleBConds3DSoa.h:237-255 - exec0.060.05
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.160.13
mkl_lapack_xdlaswplibmkl_core.so.20.130.11
miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)+exec0.130.11
Loop 621 - TwoBodyJastrowRef.h:268-398 - exec+0.130.11
Loop 627 - TwoBodyJastrowRef.h:268-398 - exec+0.130.11
Loop 625 - TwoBodyJastrowRef.h:269-271 - exec+0.070.05
Loop 639 - BsplineFunctor.h:291-298 - exec0.070.05
Loop 634 - TwoBodyJastrowRef.h:377-383 - exec+0.060.05
Loop 633 - TwoBodyJastrowRef.h:381-382 - exec0.060.05
Loop 638 - stl_numeric.h:140-141 - exec0.010.00
unknown_kernel_regionkernel0.120.10
main._omp_fn.1+exec0.110.09
Loop 102 - alloc_traits.h:277-277 - exec+0.010.00
Loop 119 - new_allocator.h:88-172 - exec+0.010.00
Loop 141 - miniqmc.cpp:425-461 - exec+0.010.00
Loop 140 - miniqmc.cpp:429-458 - exec0.010.00
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.070.06
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.070.06
Loop 252 - OneBodyJastrowRef.h:134-155 - exec+0.070.06
Loop 254 - OneBodyJastrowRef.h:143-146 - exec+0.070.06
Loop 255 - BsplineFunctor.h:236-241 - exec0.070.06
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.070.05
qmcplusplus::SoaDistanceTableAAOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec0.050.04
Loop 2624 - SoaDistanceTableAAOMPTarget.h:184-185 - exec+0.050.04
Loop 2625 - ParticleBConds3DSoa.h:237-255 - exec0.050.04
gomp_team_barrier_wait_endlibgomp.so.1.0.00.050.04
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.050.04
Loop 833 - OneBodyJastrowRef.h:184-194 - exec+0.040.03
Loop 832 - OneBodyJastrowRef.h:184-194 - exec+0.040.03
Loop 831 - OneBodyJastrowRef.h:184-194 - exec+0.040.03
Loop 830 - OneBodyJastrowRef.h:192-193 - exec0.040.03
qmcplusplus::TimerType::start()exec0.040.03
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.040.03
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.030.02
Loop 1182 - stl_algobase.h:262-1151 - exec+0.030.02
Loop 1185 - stl_algobase.h:939-940 - exec0.030.02
mkl_blas_dgemvlibmkl_sequential.so.20.020.02
f64xsubf128libm.so.60.020.02
mkl_blas_avx512_dgemm_copyanlibmkl_avx512.so.20.020.01
__dynamic_castlibstdc++.so.6.0.330.020.01
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)exec0.020.01
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.010.01
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)exec0.010.01
miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particl...+exec0.010.01
Loop 369 - OneBodyJastrowRef.h:109-237 - exec+0.010.01
Loop 371 - OneBodyJastrowRef.h:184-194 - exec+0.010.01
Loop 370 - OneBodyJastrowRef.h:192-193 - exec0.010.01
qmcplusplus::TimerType::stop()exec0.010.00
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